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1503.00399
Hamidreza Badri
Hamidreza Badri and Yoichi Watanabe and Kevin Leder
Robust and probabilistic optimization of dose schedules in radiotherapy
null
null
null
null
q-bio.TO physics.med-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We consider the effects of parameter uncertainty on the optimal radiation schedule in the context of the linear-quadratic model. Our interest arises from the observation that if inter-patient variations in OAR and tumor sensitivities to radiation or sparing factor of the OAR are not accounted for during radiation scheduling, the performance of the therapy may be strongly degraded or the OAR may receive a substantially larger dose than the maximum threshold. This paper proposes two radiation scheduling concepts to incorporate inter-patient variability into the scheduling optimization problem. The first approach is a robust formulation that formulates the problem as a conservative model that optimizes the worst case dose scheduling that may occur. The second method is a probabilistic approach, where the model parameters are given by a set of random variables. This formulation insures that our constraints are satisfied with a given probability, and that our objective function achieves a desired level with a stated probability. We used a transformation to reduce the resulting optimization problem to two dimensions. We showed that the optimal solution lies on the boundary of the feasible region and we used a branch and bound algorithm to find the global optimal solution. We observed that if the number of fractions in the optimal conventional schedule is the same as the robust and stochastic solutions, it is preferable to administer equal or smaller total dose. In addition if there exist more (fewer) treatment sessions in the probabilistic or robust solution compared to the conventional schedule, a reduction in total dose squared (total dose) will be expected. Finally, we performed numerical experiments in the setting of head-and-neck tumors to reveal the effect of parameter uncertainty on optimal schedules and to evaluate the sensitivity of the model to the choice of key model parameters.
[ { "created": "Mon, 2 Mar 2015 03:10:16 GMT", "version": "v1" }, { "created": "Wed, 3 Jun 2015 21:33:11 GMT", "version": "v2" } ]
2015-06-05
[ [ "Badri", "Hamidreza", "" ], [ "Watanabe", "Yoichi", "" ], [ "Leder", "Kevin", "" ] ]
We consider the effects of parameter uncertainty on the optimal radiation schedule in the context of the linear-quadratic model. Our interest arises from the observation that if inter-patient variations in OAR and tumor sensitivities to radiation or sparing factor of the OAR are not accounted for during radiation scheduling, the performance of the therapy may be strongly degraded or the OAR may receive a substantially larger dose than the maximum threshold. This paper proposes two radiation scheduling concepts to incorporate inter-patient variability into the scheduling optimization problem. The first approach is a robust formulation that formulates the problem as a conservative model that optimizes the worst case dose scheduling that may occur. The second method is a probabilistic approach, where the model parameters are given by a set of random variables. This formulation insures that our constraints are satisfied with a given probability, and that our objective function achieves a desired level with a stated probability. We used a transformation to reduce the resulting optimization problem to two dimensions. We showed that the optimal solution lies on the boundary of the feasible region and we used a branch and bound algorithm to find the global optimal solution. We observed that if the number of fractions in the optimal conventional schedule is the same as the robust and stochastic solutions, it is preferable to administer equal or smaller total dose. In addition if there exist more (fewer) treatment sessions in the probabilistic or robust solution compared to the conventional schedule, a reduction in total dose squared (total dose) will be expected. Finally, we performed numerical experiments in the setting of head-and-neck tumors to reveal the effect of parameter uncertainty on optimal schedules and to evaluate the sensitivity of the model to the choice of key model parameters.
2201.04739
Marcos Trevisan Dr.
Alejandro Pardo Pintos, Diego E Shalom, Enzo Tagliazucchi, Gabriel Mindlin and Marcos A Trevisan
Cognitive forces shape the dynamics of word usage across multiple languages
8 pages, 3 figures
null
10.1016/j.chaos.2022.112327
null
q-bio.NC q-bio.PE
http://creativecommons.org/licenses/by-nc-sa/4.0/
The analysis of thousands of time series in different languages reveals that word usage presents oscillations with a prevalence of 16-year cycles, mounted on slowly varying trends. These components carry different information: while similar oscillatory patterns gather semantically related words, similar trends group together keywords representative of cultural and historical periods. We interpreted the regular oscillations as cycles of interest and saturation, whose behavior could be captured using a simple mathematical model. Driving the model with the empirical trends, we were able to explain word frequency traces across multiple languages throughout the last three centuries. Our results suggest that word frequency usage is poised at dynamical criticality, close to a Hopf bifurcation which signals the emergence of oscillatory dynamics. Crucially, our model explains the oscillatory synchronization observed within groups of words and provides an interpretation of this phenomenon in terms of the cultural context driving collective cognition. These findings contribute to unravel how our use of language is shaped by the interplay between human cognition and sociocultural forces.
[ { "created": "Wed, 12 Jan 2022 23:32:38 GMT", "version": "v1" }, { "created": "Thu, 10 Feb 2022 18:26:33 GMT", "version": "v2" } ]
2022-07-20
[ [ "Pintos", "Alejandro Pardo", "" ], [ "Shalom", "Diego E", "" ], [ "Tagliazucchi", "Enzo", "" ], [ "Mindlin", "Gabriel", "" ], [ "Trevisan", "Marcos A", "" ] ]
The analysis of thousands of time series in different languages reveals that word usage presents oscillations with a prevalence of 16-year cycles, mounted on slowly varying trends. These components carry different information: while similar oscillatory patterns gather semantically related words, similar trends group together keywords representative of cultural and historical periods. We interpreted the regular oscillations as cycles of interest and saturation, whose behavior could be captured using a simple mathematical model. Driving the model with the empirical trends, we were able to explain word frequency traces across multiple languages throughout the last three centuries. Our results suggest that word frequency usage is poised at dynamical criticality, close to a Hopf bifurcation which signals the emergence of oscillatory dynamics. Crucially, our model explains the oscillatory synchronization observed within groups of words and provides an interpretation of this phenomenon in terms of the cultural context driving collective cognition. These findings contribute to unravel how our use of language is shaped by the interplay between human cognition and sociocultural forces.
1904.12652
Azam Yazdani
Azam Yazdani, Akram Yazdani, Sarah H. Elsea, Daniel J. Schaid, Michael R. Kosorok, Gita Dangol, Ahmad Samiei
Genome analysis and pleiotropy assessment using causal networks with loss of function mutation and metabolomics
null
null
null
null
q-bio.GN stat.AP stat.ME
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Background: Many genome-wide association studies have detected genomic regions associated with traits, yet understanding the functional causes of association often remains elusive. Utilizing systems approaches and focusing on intermediate molecular phenotypes might facilitate biologic understanding. Results: The availability of exome sequencing of two populations of African-Americans and European-Americans from the Atherosclerosis Risk in Communities study allowed us to investigate the effects of annotated loss-of-function (LoF) mutations on 122 serum metabolites. To assess the findings, we built metabolomic causal networks for each population separately and utilized structural equation modeling. We then validated our findings with a set of independent samples. By use of methods based on concepts of Mendelian randomization of genetic variants, we showed that some of the affected metabolites are risk predictors in the causal pathway of disease. For example, LoF mutations in the gene KIAA1755 were identified to elevate the levels of eicosapentaenoate (p-value=5E-14), an essential fatty acid clinically identified to increase essential hypertension. We showed that this gene is in the pathway to triglycerides, where both triglycerides and essential hypertension are risk factors of metabolomic disorder and heart attack. We also identified that the gene CLDN17, harboring loss-of-function mutations, had pleiotropic actions on metabolites from amino acid and lipid pathways. Conclusion: Using systems biology approaches for the analysis of metabolomics and genetic data, we integrated several biological processes, which lead to findings that may functionally connect genetic variants with complex diseases.
[ { "created": "Mon, 29 Apr 2019 12:45:06 GMT", "version": "v1" } ]
2019-04-30
[ [ "Yazdani", "Azam", "" ], [ "Yazdani", "Akram", "" ], [ "Elsea", "Sarah H.", "" ], [ "Schaid", "Daniel J.", "" ], [ "Kosorok", "Michael R.", "" ], [ "Dangol", "Gita", "" ], [ "Samiei", "Ahmad", "" ] ]
Background: Many genome-wide association studies have detected genomic regions associated with traits, yet understanding the functional causes of association often remains elusive. Utilizing systems approaches and focusing on intermediate molecular phenotypes might facilitate biologic understanding. Results: The availability of exome sequencing of two populations of African-Americans and European-Americans from the Atherosclerosis Risk in Communities study allowed us to investigate the effects of annotated loss-of-function (LoF) mutations on 122 serum metabolites. To assess the findings, we built metabolomic causal networks for each population separately and utilized structural equation modeling. We then validated our findings with a set of independent samples. By use of methods based on concepts of Mendelian randomization of genetic variants, we showed that some of the affected metabolites are risk predictors in the causal pathway of disease. For example, LoF mutations in the gene KIAA1755 were identified to elevate the levels of eicosapentaenoate (p-value=5E-14), an essential fatty acid clinically identified to increase essential hypertension. We showed that this gene is in the pathway to triglycerides, where both triglycerides and essential hypertension are risk factors of metabolomic disorder and heart attack. We also identified that the gene CLDN17, harboring loss-of-function mutations, had pleiotropic actions on metabolites from amino acid and lipid pathways. Conclusion: Using systems biology approaches for the analysis of metabolomics and genetic data, we integrated several biological processes, which lead to findings that may functionally connect genetic variants with complex diseases.
1811.05649
Ramon Grima
Emma M. Keizer, Bjorn Bastian, Robert W. Smith, Ramon Grima and Christian Fleck
Extending the linear-noise approximation to biochemical systems influenced by intrinsic noise and slow lognormally distributed extrinsic noise
43 pages, 4 figures
Phys. Rev. E 99, 052417 (2019)
10.1103/PhysRevE.99.052417
null
q-bio.SC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
It is well known that the kinetics of an intracellular biochemical network is stochastic. This is due to intrinsic noise arising from the random timing of biochemical reactions in the network as well as due to extrinsic noise stemming from the interaction of unknown molecular components with the network and from the cell's changing environment. While there are many methods to study the effect of intrinsic noise on the system dynamics, few exist to study the influence of both types of noise. Here we show how one can extend the conventional linear-noise approximation to allow for the rapid evaluation of the molecule numbers statistics of a biochemical network influenced by intrinsic noise and by slow lognormally distributed extrinsic noise. The theory is applied to simple models of gene regulatory networks and its validity confirmed by comparison with exact stochastic simulations. In particular we show how extrinsic noise modifies the dependence of the variance of the molecule number fluctuations on the rate constants, the mutual information between input and output signalling molecules and the robustness of feed-forward loop motifs.
[ { "created": "Wed, 14 Nov 2018 05:25:10 GMT", "version": "v1" } ]
2019-06-05
[ [ "Keizer", "Emma M.", "" ], [ "Bastian", "Bjorn", "" ], [ "Smith", "Robert W.", "" ], [ "Grima", "Ramon", "" ], [ "Fleck", "Christian", "" ] ]
It is well known that the kinetics of an intracellular biochemical network is stochastic. This is due to intrinsic noise arising from the random timing of biochemical reactions in the network as well as due to extrinsic noise stemming from the interaction of unknown molecular components with the network and from the cell's changing environment. While there are many methods to study the effect of intrinsic noise on the system dynamics, few exist to study the influence of both types of noise. Here we show how one can extend the conventional linear-noise approximation to allow for the rapid evaluation of the molecule numbers statistics of a biochemical network influenced by intrinsic noise and by slow lognormally distributed extrinsic noise. The theory is applied to simple models of gene regulatory networks and its validity confirmed by comparison with exact stochastic simulations. In particular we show how extrinsic noise modifies the dependence of the variance of the molecule number fluctuations on the rate constants, the mutual information between input and output signalling molecules and the robustness of feed-forward loop motifs.
2004.15018
Wesley Pegden
Maria Chikina and Wesley Pegden
Failure of monotonicity in epidemic models
7 pages, 4 figures. Code is available in arXiv'd files
null
null
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We discuss the failure of monotonicity properties for even simple compartmental epidemic models, for the case where transmission rates are non-constant. We also identify a special case in which monotonicity holds.
[ { "created": "Thu, 30 Apr 2020 17:58:17 GMT", "version": "v1" } ]
2020-05-01
[ [ "Chikina", "Maria", "" ], [ "Pegden", "Wesley", "" ] ]
We discuss the failure of monotonicity properties for even simple compartmental epidemic models, for the case where transmission rates are non-constant. We also identify a special case in which monotonicity holds.
1112.3357
Steven Frank
Steven A. Frank
A general model of the public goods dilemma
null
Journal of Evolutionary Biology 23:1245-1250 (2010)
10.1111/j.1420-9101.2010.01986.x
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
An individually costly act that benefits all group members is a public good. Natural selection favors individual contribution to public goods only when some benefit to the individual offsets the cost of contribution. Problems of sex ratio, parasite virulence, microbial metabolism, punishment of noncooperators, and nearly all aspects of sociality have been analyzed as public goods shaped by kin and group selection. Here, I develop two general aspects of the public goods problem that have received relatively little attention. First, variation in individual resources favors selfish individuals to vary their allocation to public goods. Those individuals better endowed contribute their excess resources to public benefit, whereas those individuals with fewer resources contribute less to the public good. Thus, purely selfish behavior causes individuals to stratify into upper classes that contribute greatly to public benefit and social cohesion and to lower classes that contribute little to the public good. Second, if group success absolutely requires production of the public good, then the pressure favoring production is relatively high. By contrast, if group success depends weakly on the public good, then the pressure favoring production is relatively weak. Stated in this way, it is obvious that the role of baseline success is important. However, discussions of public goods problems sometimes fail to emphasize this point sufficiently. The models here suggest simple tests for the roles of resource variation and baseline success. Given the widespread importance of public goods, better models and tests would greatly deepen our understanding of many processes in biology and sociality.
[ { "created": "Wed, 14 Dec 2011 21:05:51 GMT", "version": "v1" } ]
2011-12-16
[ [ "Frank", "Steven A.", "" ] ]
An individually costly act that benefits all group members is a public good. Natural selection favors individual contribution to public goods only when some benefit to the individual offsets the cost of contribution. Problems of sex ratio, parasite virulence, microbial metabolism, punishment of noncooperators, and nearly all aspects of sociality have been analyzed as public goods shaped by kin and group selection. Here, I develop two general aspects of the public goods problem that have received relatively little attention. First, variation in individual resources favors selfish individuals to vary their allocation to public goods. Those individuals better endowed contribute their excess resources to public benefit, whereas those individuals with fewer resources contribute less to the public good. Thus, purely selfish behavior causes individuals to stratify into upper classes that contribute greatly to public benefit and social cohesion and to lower classes that contribute little to the public good. Second, if group success absolutely requires production of the public good, then the pressure favoring production is relatively high. By contrast, if group success depends weakly on the public good, then the pressure favoring production is relatively weak. Stated in this way, it is obvious that the role of baseline success is important. However, discussions of public goods problems sometimes fail to emphasize this point sufficiently. The models here suggest simple tests for the roles of resource variation and baseline success. Given the widespread importance of public goods, better models and tests would greatly deepen our understanding of many processes in biology and sociality.
q-bio/0403019
Hiroshi Fujisaki
Hiroshi Fujisaki, Lintao Bu, and John E. Straub
Vibrational energy relaxation (VER) of a CD stretching mode in cytochrome c
20 pages, 7 figures, 3 tables, submitted to Adv. Chem. Phys. for the proceedings of the YITP international symposium on "Geometrical structure of phase space in multi-dimensional chaos: Applications to chemical reaction dynamics in complex systems"
null
null
null
q-bio.BM
null
We first review how to determine the rate of vibrational energy relaxation (VER) using perturbation theory. We then apply those theoretical results to the problem of VER of a CD stretching mode in the protein cytochrome c. We model cytochrome c in vacuum as a normal mode system with the lowest-order anharmonic coupling elements. We find that, for the ``lifetime'' width parameter $\gamma=3 \sim 30$ cm$^{-1}$, the VER time is $0.2 \sim 0.3$ ps, which agrees rather well with the previous classical calculation using the quantum correction factor method, and is consistent with spectroscopic experiments by Romesberg's group. We decompose the VER rate into separate contributions from two modes, and find that the most significant contribution, which depends on the ``lifetime'' width parameter, comes from those modes most resonant with the CD vibrational mode.
[ { "created": "Mon, 15 Mar 2004 20:42:06 GMT", "version": "v1" }, { "created": "Wed, 17 Mar 2004 17:11:29 GMT", "version": "v2" }, { "created": "Thu, 26 Aug 2004 23:52:49 GMT", "version": "v3" } ]
2007-05-23
[ [ "Fujisaki", "Hiroshi", "" ], [ "Bu", "Lintao", "" ], [ "Straub", "John E.", "" ] ]
We first review how to determine the rate of vibrational energy relaxation (VER) using perturbation theory. We then apply those theoretical results to the problem of VER of a CD stretching mode in the protein cytochrome c. We model cytochrome c in vacuum as a normal mode system with the lowest-order anharmonic coupling elements. We find that, for the ``lifetime'' width parameter $\gamma=3 \sim 30$ cm$^{-1}$, the VER time is $0.2 \sim 0.3$ ps, which agrees rather well with the previous classical calculation using the quantum correction factor method, and is consistent with spectroscopic experiments by Romesberg's group. We decompose the VER rate into separate contributions from two modes, and find that the most significant contribution, which depends on the ``lifetime'' width parameter, comes from those modes most resonant with the CD vibrational mode.
q-bio/0409005
Anders Irb\"ack
Giorgio Favrin, Anders Irb\"ack, Sandipan Mohanty
Oligomerization of amyloid Abeta peptides using hydrogen bonds and hydrophobicity forces
19 pages, 7 figures (to appear in Biophys. J.)
Biophys. J. 87 (2004) 3657-3664
10.1529/biophysj.104.046839
LU TP 04-18
q-bio.BM
null
The 16-22 amino acid fragment of the beta-amyloid peptide associated with the Alzheimer's disease, Abeta, is capable of forming amyloid fibrils. Here we study the aggregation mechanism of Abeta(16-22) peptides by unbiased thermodynamic simulations at the atomic level for systems of one, three and six Abeta(16-22) peptides. We find that the isolated Abeta(16-22) peptide is mainly a random coil in the sense that both the alpha-helix and beta-strand contents are low, whereas the three- and six-chain systems form aggregated structures with a high beta-sheet content. Furthermore, in agreement with experiments on Abeta(16-22) fibrils, we find that large parallel beta-sheets are unlikely to form. For the six-chain system, the aggregated structures can have many different shapes, but certain particularly stable shapes can be identified.
[ { "created": "Wed, 1 Sep 2004 17:32:45 GMT", "version": "v1" }, { "created": "Tue, 14 Sep 2004 20:50:48 GMT", "version": "v2" } ]
2009-11-10
[ [ "Favrin", "Giorgio", "" ], [ "Irbäck", "Anders", "" ], [ "Mohanty", "Sandipan", "" ] ]
The 16-22 amino acid fragment of the beta-amyloid peptide associated with the Alzheimer's disease, Abeta, is capable of forming amyloid fibrils. Here we study the aggregation mechanism of Abeta(16-22) peptides by unbiased thermodynamic simulations at the atomic level for systems of one, three and six Abeta(16-22) peptides. We find that the isolated Abeta(16-22) peptide is mainly a random coil in the sense that both the alpha-helix and beta-strand contents are low, whereas the three- and six-chain systems form aggregated structures with a high beta-sheet content. Furthermore, in agreement with experiments on Abeta(16-22) fibrils, we find that large parallel beta-sheets are unlikely to form. For the six-chain system, the aggregated structures can have many different shapes, but certain particularly stable shapes can be identified.
1604.00268
David Schwab
DJ Strouse, David J Schwab
The deterministic information bottleneck
15 pages, 4 figures
null
null
null
q-bio.NC cond-mat.stat-mech cs.IT math.IT q-bio.QM stat.ML
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Lossy compression and clustering fundamentally involve a decision about what features are relevant and which are not. The information bottleneck method (IB) by Tishby, Pereira, and Bialek formalized this notion as an information-theoretic optimization problem and proposed an optimal tradeoff between throwing away as many bits as possible, and selectively keeping those that are most important. In the IB, compression is measure my mutual information. Here, we introduce an alternative formulation that replaces mutual information with entropy, which we call the deterministic information bottleneck (DIB), that we argue better captures this notion of compression. As suggested by its name, the solution to the DIB problem turns out to be a deterministic encoder, or hard clustering, as opposed to the stochastic encoder, or soft clustering, that is optimal under the IB. We compare the IB and DIB on synthetic data, showing that the IB and DIB perform similarly in terms of the IB cost function, but that the DIB significantly outperforms the IB in terms of the DIB cost function. We also empirically find that the DIB offers a considerable gain in computational efficiency over the IB, over a range of convergence parameters. Our derivation of the DIB also suggests a method for continuously interpolating between the soft clustering of the IB and the hard clustering of the DIB.
[ { "created": "Fri, 1 Apr 2016 14:48:31 GMT", "version": "v1" }, { "created": "Mon, 19 Dec 2016 05:26:11 GMT", "version": "v2" } ]
2017-02-23
[ [ "Strouse", "DJ", "" ], [ "Schwab", "David J", "" ] ]
Lossy compression and clustering fundamentally involve a decision about what features are relevant and which are not. The information bottleneck method (IB) by Tishby, Pereira, and Bialek formalized this notion as an information-theoretic optimization problem and proposed an optimal tradeoff between throwing away as many bits as possible, and selectively keeping those that are most important. In the IB, compression is measure my mutual information. Here, we introduce an alternative formulation that replaces mutual information with entropy, which we call the deterministic information bottleneck (DIB), that we argue better captures this notion of compression. As suggested by its name, the solution to the DIB problem turns out to be a deterministic encoder, or hard clustering, as opposed to the stochastic encoder, or soft clustering, that is optimal under the IB. We compare the IB and DIB on synthetic data, showing that the IB and DIB perform similarly in terms of the IB cost function, but that the DIB significantly outperforms the IB in terms of the DIB cost function. We also empirically find that the DIB offers a considerable gain in computational efficiency over the IB, over a range of convergence parameters. Our derivation of the DIB also suggests a method for continuously interpolating between the soft clustering of the IB and the hard clustering of the DIB.
1812.10421
Vyacheslav Volov
V.V. Eskov, V.T. Volov, V.M. Eskov, L.K. Ilyashenko
Chaotic dynamics of movements stochastic instability and the hypothesis of N.A. Bernstein about "repetition without repetition"
13 pages, 2 figures, 6 tables
null
null
null
q-bio.OT nlin.CD physics.soc-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The registration of tremor was performed in two groups of subjects (15 people in each group) with different physical fitness at rest and at a static loads of 3N. Each subject has been tested 15 series (number of series N=15) in both states (with and without physical loads) and each series contained 15 samples (n=15) of tremorogramm measurements (500 elements in each sample, registered coordinates x1(t) of the finger position relative to eddy current sensor) of the finger. Using non-parametric Wilcoxon test of each series of experiment a pairwise comparison was made forming 15 tables in which the results of calculation of pairwise comparison was presented as a matrix (15x15) for tremorogramms are presented. The average number of hits random pairs of samples (<k>) and standard deviation {\sigma} were calculated for all 15 matrices without load and under the impact of physical load (3N), which showed an increase almost in twice in the number k of pairs of matching samples of tremorogramms at conditions of a static load. For all these samples it was calculated special quasi-attractor (this square was presented the distinguishes between physical load and without it. All samples present the stochastic unstable state.
[ { "created": "Fri, 21 Dec 2018 16:39:00 GMT", "version": "v1" } ]
2018-12-27
[ [ "Eskov", "V. V.", "" ], [ "Volov", "V. T.", "" ], [ "Eskov", "V. M.", "" ], [ "Ilyashenko", "L. K.", "" ] ]
The registration of tremor was performed in two groups of subjects (15 people in each group) with different physical fitness at rest and at a static loads of 3N. Each subject has been tested 15 series (number of series N=15) in both states (with and without physical loads) and each series contained 15 samples (n=15) of tremorogramm measurements (500 elements in each sample, registered coordinates x1(t) of the finger position relative to eddy current sensor) of the finger. Using non-parametric Wilcoxon test of each series of experiment a pairwise comparison was made forming 15 tables in which the results of calculation of pairwise comparison was presented as a matrix (15x15) for tremorogramms are presented. The average number of hits random pairs of samples (<k>) and standard deviation {\sigma} were calculated for all 15 matrices without load and under the impact of physical load (3N), which showed an increase almost in twice in the number k of pairs of matching samples of tremorogramms at conditions of a static load. For all these samples it was calculated special quasi-attractor (this square was presented the distinguishes between physical load and without it. All samples present the stochastic unstable state.
1312.7532
Carsten Maedler
Carsten Maedler, Daniel Kim, Remco A. Spanjaard, Mi Hong, Shyamsunder Erramilli, Pritiraj Mohanty
Detection of the melanoma biomarker TROY using silicon nanowire field-effect transistors
null
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Antibody-functionalized silicon nanowire field-effect transistors have been shown to exhibit excellent analyte detection sensitivity enabling sensing of analyte concentrations at levels not readily accessible by other methods. One example where accurate measurement of small concentrations is necessary is detection of serum biomarkers, such as the recently discovered tumor necrosis factor receptor superfamily member TROY (TNFRSF19), which may serve as a biomarker for melanoma. TROY is normally only present in brain but it is aberrantly expressed in primary and metastatic melanoma cells and shed into the surrounding environment. In this study, we show the detection of different concentrations of TROY in buffer solution using top-down fabricated silicon nanowires. We demonstrate the selectivity of our sensors by comparing the signal with that obtained from bovine serum albumin in buffer solution. Both the signal size and the reaction kinetics serve to distinguish the two signals. Using a fast-mixing two-compartment reaction model, we are able to extract the association and dissociation rate constants for the reaction of TROY with the antibody immobilized on the sensor surface.
[ { "created": "Sun, 29 Dec 2013 13:04:05 GMT", "version": "v1" } ]
2013-12-31
[ [ "Maedler", "Carsten", "" ], [ "Kim", "Daniel", "" ], [ "Spanjaard", "Remco A.", "" ], [ "Hong", "Mi", "" ], [ "Erramilli", "Shyamsunder", "" ], [ "Mohanty", "Pritiraj", "" ] ]
Antibody-functionalized silicon nanowire field-effect transistors have been shown to exhibit excellent analyte detection sensitivity enabling sensing of analyte concentrations at levels not readily accessible by other methods. One example where accurate measurement of small concentrations is necessary is detection of serum biomarkers, such as the recently discovered tumor necrosis factor receptor superfamily member TROY (TNFRSF19), which may serve as a biomarker for melanoma. TROY is normally only present in brain but it is aberrantly expressed in primary and metastatic melanoma cells and shed into the surrounding environment. In this study, we show the detection of different concentrations of TROY in buffer solution using top-down fabricated silicon nanowires. We demonstrate the selectivity of our sensors by comparing the signal with that obtained from bovine serum albumin in buffer solution. Both the signal size and the reaction kinetics serve to distinguish the two signals. Using a fast-mixing two-compartment reaction model, we are able to extract the association and dissociation rate constants for the reaction of TROY with the antibody immobilized on the sensor surface.
q-bio/0402031
Mauro Copelli
M. Copelli, M. H. R. Tragtenberg and O. Kinouchi
Stability diagrams for bursting neurons modeled by three-variable maps
7 pages, 3 figures, accepted for publication
Physica A, 342, 263-269 (2004)
10.1016/j.physa.2004.04.087
null
q-bio.NC cond-mat.dis-nn nlin.CD physics.bio-ph
null
We study a simple map as a minimal model of excitable cells. The map has two fast variables which mimic the behavior of class I neurons, undergoing a sub-critical Hopf bifurcation. Adding a third slow variable allows the system to present bursts and other interesting biological behaviors. Bifurcation lines which locate the excitability region are obtained for different planes in parameter space.
[ { "created": "Fri, 13 Feb 2004 22:51:17 GMT", "version": "v1" } ]
2007-05-23
[ [ "Copelli", "M.", "" ], [ "Tragtenberg", "M. H. R.", "" ], [ "Kinouchi", "O.", "" ] ]
We study a simple map as a minimal model of excitable cells. The map has two fast variables which mimic the behavior of class I neurons, undergoing a sub-critical Hopf bifurcation. Adding a third slow variable allows the system to present bursts and other interesting biological behaviors. Bifurcation lines which locate the excitability region are obtained for different planes in parameter space.
1903.04921
Zi Chen
Catalina-Paula Spatarelu, Hao Zhang, Dung Trung Nguyen, Xinyue Han, Ruchuan Liu, Qiaohang Guo, Jacob Notbohm, Jing Fan, Liyu Liu, and Zi Chen
Biomechanics of Collective Cell Migration in Cancer Progression -- Experimental and Computational Methods
null
null
null
null
q-bio.CB physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Cell migration is essential for regulating many biological processes in physiological or pathological conditions, including embryonic development and cancer invasion. In vitro and in silico studies suggest that collective cell migration is associated with some biomechanical particularities, such as restructuring of extracellular matrix, stress and force distribution profiles, and reorganization of cytoskeleton. Therefore, the phenomenon could be understood by an in-depth study of cells' behavior determinants, including but not limited to mechanical cues from the environment and from fellow travelers. This review article aims to cover the recent development of experimental and computational methods for studying the biomechanics of collective cell migration during cancer progression and invasion. We also summarized the tested hypotheses regarding the mechanism underlying collective cell migration enabled by these methods. Together, the paper enables a broad overview on the methods and tools currently available to unravel the biophysical mechanisms pertinent to cell collective migration, as well as providing perspectives on future development towards eventually deciphering the key mechanisms behind the most lethal feature of cancer.
[ { "created": "Tue, 12 Mar 2019 13:55:09 GMT", "version": "v1" } ]
2019-03-13
[ [ "Spatarelu", "Catalina-Paula", "" ], [ "Zhang", "Hao", "" ], [ "Nguyen", "Dung Trung", "" ], [ "Han", "Xinyue", "" ], [ "Liu", "Ruchuan", "" ], [ "Guo", "Qiaohang", "" ], [ "Notbohm", "Jacob", "" ], [ "Fan", "Jing", "" ], [ "Liu", "Liyu", "" ], [ "Chen", "Zi", "" ] ]
Cell migration is essential for regulating many biological processes in physiological or pathological conditions, including embryonic development and cancer invasion. In vitro and in silico studies suggest that collective cell migration is associated with some biomechanical particularities, such as restructuring of extracellular matrix, stress and force distribution profiles, and reorganization of cytoskeleton. Therefore, the phenomenon could be understood by an in-depth study of cells' behavior determinants, including but not limited to mechanical cues from the environment and from fellow travelers. This review article aims to cover the recent development of experimental and computational methods for studying the biomechanics of collective cell migration during cancer progression and invasion. We also summarized the tested hypotheses regarding the mechanism underlying collective cell migration enabled by these methods. Together, the paper enables a broad overview on the methods and tools currently available to unravel the biophysical mechanisms pertinent to cell collective migration, as well as providing perspectives on future development towards eventually deciphering the key mechanisms behind the most lethal feature of cancer.
0712.1970
Julien Dervaux
Julien Dervaux, Martine Ben Amar
Morphogenesis of growing soft tissues
4 pages, 3 figures
null
10.1103/PhysRevLett.101.068101
null
q-bio.TO
null
Recently, much attention has been given to a noteworthy property of some soft tissues: their ability to grow. Many attempts have been made to model this behaviour in biology, chemistry and physics. Using the theory of finite elasticity, Rodriguez has postulated a multiplicative decomposition of the geometric deformation gradient into a growth-induced part and an elastic one needed to ensure compatibility of the body. In order to fully explore the consequences of this hypothesis, the equations describing thin elastic objects under finite growth are derived. Under appropriate scaling assumptions for the growth rates, the proposed model is of the Foppl-von Karman type. As an illustration, the circumferential growth of a free hyperelastic disk is studied.
[ { "created": "Wed, 12 Dec 2007 16:21:02 GMT", "version": "v1" } ]
2009-11-13
[ [ "Dervaux", "Julien", "" ], [ "Amar", "Martine Ben", "" ] ]
Recently, much attention has been given to a noteworthy property of some soft tissues: their ability to grow. Many attempts have been made to model this behaviour in biology, chemistry and physics. Using the theory of finite elasticity, Rodriguez has postulated a multiplicative decomposition of the geometric deformation gradient into a growth-induced part and an elastic one needed to ensure compatibility of the body. In order to fully explore the consequences of this hypothesis, the equations describing thin elastic objects under finite growth are derived. Under appropriate scaling assumptions for the growth rates, the proposed model is of the Foppl-von Karman type. As an illustration, the circumferential growth of a free hyperelastic disk is studied.
1606.03071
Umut G\"u\c{c}l\"u
Umut G\"u\c{c}l\"u, Marcel A. J. van Gerven
Modeling the dynamics of human brain activity with recurrent neural networks
null
null
10.3389/fncom.2017.00007
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Encoding models are used for predicting brain activity in response to sensory stimuli with the objective of elucidating how sensory information is represented in the brain. Encoding models typically comprise a nonlinear transformation of stimuli to features (feature model) and a linear transformation of features to responses (response model). While there has been extensive work on developing better feature models, the work on developing better response models has been rather limited. Here, we investigate the extent to which recurrent neural network models can use their internal memories for nonlinear processing of arbitrary feature sequences to predict feature-evoked response sequences as measured by functional magnetic resonance imaging. We show that the proposed recurrent neural network models can significantly outperform established response models by accurately estimating long-term dependencies that drive hemodynamic responses. The results open a new window into modeling the dynamics of brain activity in response to sensory stimuli.
[ { "created": "Thu, 9 Jun 2016 19:22:13 GMT", "version": "v1" } ]
2017-03-13
[ [ "Güçlü", "Umut", "" ], [ "van Gerven", "Marcel A. J.", "" ] ]
Encoding models are used for predicting brain activity in response to sensory stimuli with the objective of elucidating how sensory information is represented in the brain. Encoding models typically comprise a nonlinear transformation of stimuli to features (feature model) and a linear transformation of features to responses (response model). While there has been extensive work on developing better feature models, the work on developing better response models has been rather limited. Here, we investigate the extent to which recurrent neural network models can use their internal memories for nonlinear processing of arbitrary feature sequences to predict feature-evoked response sequences as measured by functional magnetic resonance imaging. We show that the proposed recurrent neural network models can significantly outperform established response models by accurately estimating long-term dependencies that drive hemodynamic responses. The results open a new window into modeling the dynamics of brain activity in response to sensory stimuli.
q-bio/0309006
Sven Bilke
S. Bilke, T. Breslin, M. Sigvardsson
Probabilistic estimation of microarray data reliability and underlying gene expression
11 pages, 4 figures
BMC Bioinformatics 4:40 (2003)
null
LU TP 02-14
q-bio.QM
null
Background: The availability of high throughput methods for measurement of mRNA concentrations makes the reliability of conclusions drawn from the data and global quality control of samples and hybridization important issues. We address these issues by an information theoretic approach, applied to discretized expression values in replicated gene expression data. Results: Our approach yields a quantitative measure of two important parameter classes: First, the probability $P(\sigma | S)$ that a gene is in the biological state $\sigma$ in a certain variety, given its observed expression $S$ in the samples of that variety. Second, sample specific error probabilities which serve as consistency indicators of the measured samples of each variety. The method and its limitations are tested on gene expression data for developing murine B-cells and a $t$-test is used as reference. On a set of known genes it performs better than the $t$-test despite the crude discretization into only two expression levels. The consistency indicators, i.e. the error probabilities, correlate well with variations in the biological material and thus prove efficient. Conclusions: The proposed method is effective in determining differential gene expression and sample reliability in replicated microarray data. Already at two discrete expression levels in each sample, it gives a good explanation of the data and is comparable to standard techniques.
[ { "created": "Thu, 18 Sep 2003 15:22:50 GMT", "version": "v1" } ]
2007-05-23
[ [ "Bilke", "S.", "" ], [ "Breslin", "T.", "" ], [ "Sigvardsson", "M.", "" ] ]
Background: The availability of high throughput methods for measurement of mRNA concentrations makes the reliability of conclusions drawn from the data and global quality control of samples and hybridization important issues. We address these issues by an information theoretic approach, applied to discretized expression values in replicated gene expression data. Results: Our approach yields a quantitative measure of two important parameter classes: First, the probability $P(\sigma | S)$ that a gene is in the biological state $\sigma$ in a certain variety, given its observed expression $S$ in the samples of that variety. Second, sample specific error probabilities which serve as consistency indicators of the measured samples of each variety. The method and its limitations are tested on gene expression data for developing murine B-cells and a $t$-test is used as reference. On a set of known genes it performs better than the $t$-test despite the crude discretization into only two expression levels. The consistency indicators, i.e. the error probabilities, correlate well with variations in the biological material and thus prove efficient. Conclusions: The proposed method is effective in determining differential gene expression and sample reliability in replicated microarray data. Already at two discrete expression levels in each sample, it gives a good explanation of the data and is comparable to standard techniques.
2111.14159
Uria Mor
Uria Mor, Yotam Cohen, Rafael Valdes-Mas, Denise Kviatcovsky, Eran Elinav, Haim Avron
Dimensionality Reduction of Longitudinal 'Omics Data using Modern Tensor Factorization
null
null
10.1371/journal.pcbi.1010212
null
q-bio.QM cs.CE cs.LG
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Precision medicine is a clinical approach for disease prevention, detection and treatment, which considers each individual's genetic background, environment and lifestyle. The development of this tailored avenue has been driven by the increased availability of omics methods, large cohorts of temporal samples, and their integration with clinical data. Despite the immense progression, existing computational methods for data analysis fail to provide appropriate solutions for this complex, high-dimensional and longitudinal data. In this work we have developed a new method termed TCAM, a dimensionality reduction technique for multi-way data, that overcomes major limitations when doing trajectory analysis of longitudinal omics data. Using real-world data, we show that TCAM outperforms traditional methods, as well as state-of-the-art tensor-based approaches for longitudinal microbiome data analysis. Moreover, we demonstrate the versatility of TCAM by applying it to several different omics datasets, and the applicability of it as a drop-in replacement within straightforward ML tasks.
[ { "created": "Sun, 28 Nov 2021 14:50:14 GMT", "version": "v1" } ]
2022-07-26
[ [ "Mor", "Uria", "" ], [ "Cohen", "Yotam", "" ], [ "Valdes-Mas", "Rafael", "" ], [ "Kviatcovsky", "Denise", "" ], [ "Elinav", "Eran", "" ], [ "Avron", "Haim", "" ] ]
Precision medicine is a clinical approach for disease prevention, detection and treatment, which considers each individual's genetic background, environment and lifestyle. The development of this tailored avenue has been driven by the increased availability of omics methods, large cohorts of temporal samples, and their integration with clinical data. Despite the immense progression, existing computational methods for data analysis fail to provide appropriate solutions for this complex, high-dimensional and longitudinal data. In this work we have developed a new method termed TCAM, a dimensionality reduction technique for multi-way data, that overcomes major limitations when doing trajectory analysis of longitudinal omics data. Using real-world data, we show that TCAM outperforms traditional methods, as well as state-of-the-art tensor-based approaches for longitudinal microbiome data analysis. Moreover, we demonstrate the versatility of TCAM by applying it to several different omics datasets, and the applicability of it as a drop-in replacement within straightforward ML tasks.
1307.4141
Naoki Masuda Dr.
Naoki Masuda
Evolution via imitation among like-minded individuals
3 figures
Journal of Theoretical Biology, 349, 100-108 (2014)
10.1016/j.jtbi.2014.02.003
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
In social situations with which evolutionary game is concerned, individuals are considered to be heterogeneous in various aspects. In particular, they may differently perceive the same outcome of the game owing to heterogeneity in idiosyncratic preferences, fighting abilities, and positions in a social network. In such a population, an individual may imitate successful and similar others, where similarity refers to that in the idiosyncratic fitness function. I propose an evolutionary game model with two subpopulations on the basis of multipopulation replicator dynamics to describe such a situation. In the proposed model, pairs of players are involved in a two-person game as a well-mixed population, and imitation occurs within subpopulations in each of which players have the same payoff matrix. It is shown that the model does not allow any internal equilibrium such that the dynamics differs from that of other related models such as the bimatrix game. In particular, even a slight difference in the payoff matrix in the two subpopulations can make the opposite strategies to be stably selected in the two subpopulations in the snowdrift and coordination games.
[ { "created": "Tue, 16 Jul 2013 01:20:47 GMT", "version": "v1" }, { "created": "Thu, 6 Mar 2014 17:20:32 GMT", "version": "v2" } ]
2014-03-07
[ [ "Masuda", "Naoki", "" ] ]
In social situations with which evolutionary game is concerned, individuals are considered to be heterogeneous in various aspects. In particular, they may differently perceive the same outcome of the game owing to heterogeneity in idiosyncratic preferences, fighting abilities, and positions in a social network. In such a population, an individual may imitate successful and similar others, where similarity refers to that in the idiosyncratic fitness function. I propose an evolutionary game model with two subpopulations on the basis of multipopulation replicator dynamics to describe such a situation. In the proposed model, pairs of players are involved in a two-person game as a well-mixed population, and imitation occurs within subpopulations in each of which players have the same payoff matrix. It is shown that the model does not allow any internal equilibrium such that the dynamics differs from that of other related models such as the bimatrix game. In particular, even a slight difference in the payoff matrix in the two subpopulations can make the opposite strategies to be stably selected in the two subpopulations in the snowdrift and coordination games.
1203.4771
Jens Christian Claussen
Markus Sch\"utt and Jens Christian Claussen
Desynchronizing effect of high-frequency stimulation in a generic cortical network model
9 pages, figs included. Accepted for publication in Cognitive Neurodynamics
Cognitive Neurodynamics 6 (4), 343-351 (2012)
10.1007/s11571-012-9199-8
null
q-bio.NC cond-mat.dis-nn nlin.CD physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Transcranial Electrical Stimulation (TCES) and Deep Brain Stimulation (DBS) are two different applications of electrical current to the brain used in different areas of medicine. Both have a similar frequency dependence of their efficiency, with the most pronounced effects around 100Hz. We apply superthreshold electrical stimulation, specifically depolarizing DC current, interrupted at different frequencies, to a simple model of a population of cortical neurons which uses phenomenological descriptions of neurons by Izhikevich and synaptic connections on a similar level of sophistication. With this model, we are able to reproduce the optimal desynchronization around 100Hz, as well as to predict the full frequency dependence of the efficiency of desynchronization, and thereby to give a possible explanation for the action mechanism of TCES.
[ { "created": "Wed, 21 Mar 2012 16:16:30 GMT", "version": "v1" } ]
2019-07-15
[ [ "Schütt", "Markus", "" ], [ "Claussen", "Jens Christian", "" ] ]
Transcranial Electrical Stimulation (TCES) and Deep Brain Stimulation (DBS) are two different applications of electrical current to the brain used in different areas of medicine. Both have a similar frequency dependence of their efficiency, with the most pronounced effects around 100Hz. We apply superthreshold electrical stimulation, specifically depolarizing DC current, interrupted at different frequencies, to a simple model of a population of cortical neurons which uses phenomenological descriptions of neurons by Izhikevich and synaptic connections on a similar level of sophistication. With this model, we are able to reproduce the optimal desynchronization around 100Hz, as well as to predict the full frequency dependence of the efficiency of desynchronization, and thereby to give a possible explanation for the action mechanism of TCES.
2003.11094
Borko D. Stosic
Borko Stosic
Phenomenological analysis of the 2020 COVID-19 outbreak dynamics
null
null
null
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
In the wake of the COVID-19 virus outbreak, a brief phenomenological (descriptive, comparative) analysis of the dynamics of the disease spread among different countries is presented. Results indicate that the infection spread dynamics is currently the most pronounced in the USA (confirmed cases are currently doubling every 2.16 days, with a decreasing doubling time tendency), while other countries with the most confirmed cases show different values, and tendencies. The reported number of deaths is currently doubled every 2.28 days in Germany, 2.56 days in France, 2.57 days in Switzerland, 2.59 days in France, and 2.62 days in USA, while only France and USA are currently exhibiting further acceleration (diminishing doubling time).
[ { "created": "Tue, 24 Mar 2020 19:59:17 GMT", "version": "v1" } ]
2020-03-26
[ [ "Stosic", "Borko", "" ] ]
In the wake of the COVID-19 virus outbreak, a brief phenomenological (descriptive, comparative) analysis of the dynamics of the disease spread among different countries is presented. Results indicate that the infection spread dynamics is currently the most pronounced in the USA (confirmed cases are currently doubling every 2.16 days, with a decreasing doubling time tendency), while other countries with the most confirmed cases show different values, and tendencies. The reported number of deaths is currently doubled every 2.28 days in Germany, 2.56 days in France, 2.57 days in Switzerland, 2.59 days in France, and 2.62 days in USA, while only France and USA are currently exhibiting further acceleration (diminishing doubling time).
2010.02368
Delfim F. M. Torres
Cristiana J. Silva, Guillaume Cantin, Carla Cruz, Rui Fonseca-Pinto, Rui Passadouro da Fonseca, Estevao Soares dos Santos, Delfim F. M. Torres
Complex network model for COVID-19: human behavior, pseudo-periodic solutions and multiple epidemic waves
23 pages, 10 figures, submitted 5-Oct-2020
J. Math. Anal. Appl. 514 (2022), no. 2, Art. 125171, 25pp
10.1016/j.jmaa.2021.125171
null
q-bio.PE math.DS
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We propose a mathematical model for the transmission dynamics of SARS-CoV-2 in a homogeneously mixing non constant population, and generalize it to a model where the parameters are given by piecewise constant functions. This allows us to model the human behavior and the impact of public health policies on the dynamics of the curve of active infected individuals during a COVID-19 epidemic outbreak. After proving the existence and global asymptotic stability of the disease-free and endemic equilibrium points of the model with constant parameters, we consider a family of Cauchy problems, with piecewise constant parameters, and prove the existence of pseudo-oscillations between a neighborhood of the disease-free equilibrium and a neighborhood of the endemic equilibrium, in a biologically feasible region. In the context of the COVID-19 pandemic, this pseudo-periodic solutions are related to the emergence of epidemic waves. Then, to capture the impact of mobility in the dynamics of COVID-19 epidemics, we propose a complex network with six distinct regions based on COVID-19 real data from Portugal. We perform numerical simulations for the complex network model, where the objective is to determine a topology that minimizes the level of active infected individuals and the existence of topologies that are likely to worsen the level of infection. We claim that this methodology is a tool with enormous potential in the current pandemic context, and can be applied in the management of outbreaks (in regional terms) but also to manage the opening/closing of borders.
[ { "created": "Mon, 5 Oct 2020 22:22:40 GMT", "version": "v1" } ]
2022-06-20
[ [ "Silva", "Cristiana J.", "" ], [ "Cantin", "Guillaume", "" ], [ "Cruz", "Carla", "" ], [ "Fonseca-Pinto", "Rui", "" ], [ "da Fonseca", "Rui Passadouro", "" ], [ "Santos", "Estevao Soares dos", "" ], [ "Torres", "Delfim F. M.", "" ] ]
We propose a mathematical model for the transmission dynamics of SARS-CoV-2 in a homogeneously mixing non constant population, and generalize it to a model where the parameters are given by piecewise constant functions. This allows us to model the human behavior and the impact of public health policies on the dynamics of the curve of active infected individuals during a COVID-19 epidemic outbreak. After proving the existence and global asymptotic stability of the disease-free and endemic equilibrium points of the model with constant parameters, we consider a family of Cauchy problems, with piecewise constant parameters, and prove the existence of pseudo-oscillations between a neighborhood of the disease-free equilibrium and a neighborhood of the endemic equilibrium, in a biologically feasible region. In the context of the COVID-19 pandemic, this pseudo-periodic solutions are related to the emergence of epidemic waves. Then, to capture the impact of mobility in the dynamics of COVID-19 epidemics, we propose a complex network with six distinct regions based on COVID-19 real data from Portugal. We perform numerical simulations for the complex network model, where the objective is to determine a topology that minimizes the level of active infected individuals and the existence of topologies that are likely to worsen the level of infection. We claim that this methodology is a tool with enormous potential in the current pandemic context, and can be applied in the management of outbreaks (in regional terms) but also to manage the opening/closing of borders.
2405.03370
Magnus Haraldson H{\o}ie
Magnus Haraldson H{\o}ie and Alissa Hummer and Tobias H. Olsen and Broncio Aguilar-Sanjuan and Morten Nielsen and Charlotte M. Deane
AntiFold: Improved antibody structure-based design using inverse folding
null
null
null
null
q-bio.BM q-bio.QM
http://creativecommons.org/licenses/by-sa/4.0/
The design and optimization of antibodies requires an intricate balance across multiple properties. Protein inverse folding models, capable of generating diverse sequences folding into the same structure, are promising tools for maintaining structural integrity during antibody design. Here, we present AntiFold, an antibody-specific inverse folding model, fine-tuned from ESM-IF1 on solved and predicted antibody structures. AntiFold outperforms existing inverse folding tools on sequence recovery across complementarity-determining regions, with designed sequences showing high structural similarity to their solved counterpart. It additionally achieves stronger correlations when predicting antibody-antigen binding affinity in a zero-shot manner, while performance is augmented further when including antigen information. AntiFold assigns low probabilities to mutations that disrupt antigen binding, synergizing with protein language model residue probabilities, and demonstrates promise for guiding antibody optimization while retaining structure-related properties. AntiFold is freely available under the BSD 3-Clause as a web server at https://opig.stats.ox.ac.uk/webapps/antifold/ and and pip installable package at https://github.com/oxpig/AntiFold
[ { "created": "Mon, 6 May 2024 11:23:47 GMT", "version": "v1" } ]
2024-05-07
[ [ "Høie", "Magnus Haraldson", "" ], [ "Hummer", "Alissa", "" ], [ "Olsen", "Tobias H.", "" ], [ "Aguilar-Sanjuan", "Broncio", "" ], [ "Nielsen", "Morten", "" ], [ "Deane", "Charlotte M.", "" ] ]
The design and optimization of antibodies requires an intricate balance across multiple properties. Protein inverse folding models, capable of generating diverse sequences folding into the same structure, are promising tools for maintaining structural integrity during antibody design. Here, we present AntiFold, an antibody-specific inverse folding model, fine-tuned from ESM-IF1 on solved and predicted antibody structures. AntiFold outperforms existing inverse folding tools on sequence recovery across complementarity-determining regions, with designed sequences showing high structural similarity to their solved counterpart. It additionally achieves stronger correlations when predicting antibody-antigen binding affinity in a zero-shot manner, while performance is augmented further when including antigen information. AntiFold assigns low probabilities to mutations that disrupt antigen binding, synergizing with protein language model residue probabilities, and demonstrates promise for guiding antibody optimization while retaining structure-related properties. AntiFold is freely available under the BSD 3-Clause as a web server at https://opig.stats.ox.ac.uk/webapps/antifold/ and and pip installable package at https://github.com/oxpig/AntiFold
1405.4357
John Canning prof
Md. Arafat Hossain, John Canning, Sandra Ast, Peter J. Rutledge, Teh Li Yen, Abbas Jamalipour
Lab-in-a-phone: Smartphone-based Portable Fluorometer for pH Field Measurements of Environmental Water
Submitted to IEEE Sensors Journal 21_2_2014
null
10.1109/JSEN.2014.2361651
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
A novel portable fluorometer combining the attributes of a smartphone with an easy fit, simple and compact sample chamber fabricated using 3D printing has been developed for pH measurements of environmental water in the field. The results were then compared directly with those obtained using conventional electrode based measurements.
[ { "created": "Sat, 17 May 2014 06:40:13 GMT", "version": "v1" } ]
2015-06-11
[ [ "Hossain", "Md. Arafat", "" ], [ "Canning", "John", "" ], [ "Ast", "Sandra", "" ], [ "Rutledge", "Peter J.", "" ], [ "Yen", "Teh Li", "" ], [ "Jamalipour", "Abbas", "" ] ]
A novel portable fluorometer combining the attributes of a smartphone with an easy fit, simple and compact sample chamber fabricated using 3D printing has been developed for pH measurements of environmental water in the field. The results were then compared directly with those obtained using conventional electrode based measurements.
2404.19309
Noam Ben-Eliezer
Liad Doniza (1), Mitchel Lee (2), Tamar Blumenfeld Katzir (3), Moran Artzi (4,5,6), Dafna Ben Bashat (4,5,6), Dvir Radunsky (3), Karin Shmueli (2), Noam Ben-Eliezer (3,5,7) ((1) Department of Electrical Engineering, Tel Aviv University, Tel Aviv, Israel, (2) Department of Medical Physics and Biomedical Engineering, University College London, London, UK, (3) Department of Biomedical Engineering, Tel Aviv University, Tel Aviv, Israel, (4) Sagol Brain Institute, Tel Aviv Medical Center, Tel Aviv, Israel, (5) Sagol School of Neuroscience, Tel Aviv University, Tel-Aviv, Israel, (6) Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv, Israel, (7) Center for Advanced Imaging Innovation and Research (CAI2R), New-York University Langone Medical Center, New York, NY, United States)
Noise propagation and MP-PCA image denoising for high-resolution quantitative T2* and magnetic susceptibility mapping (QSM)
9 pages, 8 figures, 3 tables. It was accepted to be presented in a peer-reviewed annual ISMRM meeting, which will be held in Singapore in May 2024
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Quantitative Susceptibility Mapping (QSM) is a technique for measuring magnetic susceptibility of tissues, aiding in the detection of pathologies like traumatic brain injury and multiple sclerosis by analyzing variations in substances such as iron and calcium. Despite its clinical value, achieving high-resolution QSM (voxel sizes < 1 mm3) reduces signal-to-noise ratio (SNR), compromising diagnostic quality. To mitigate this, we applied the Marchenko-Pastur Principal Component Analysis (MP-PCA) denoising technique on T2* weighted data, to enhance the quality of R2*, T2*, and QSM maps. Denoising was tested on a numerical phantom, healthy subjects, and patients with brain metastases and sickle cell disease, demonstrating effective and robust improvements across different scan settings. Further analysis examined noise propagation in R2* and T2* values, revealing lower noise-related variations in R2* values compared to T2* values which tended to be overestimated due to noise. Reduced variability was observed in QSM values post denoising, demonstrating MP-PCA's potential to improve the
[ { "created": "Tue, 30 Apr 2024 07:28:14 GMT", "version": "v1" } ]
2024-05-01
[ [ "Doniza", "Liad", "" ], [ "Lee", "Mitchel", "" ], [ "Katzir", "Tamar Blumenfeld", "" ], [ "Artzi", "Moran", "" ], [ "Bashat", "Dafna Ben", "" ], [ "Radunsky", "Dvir", "" ], [ "Shmueli", "Karin", "" ], [ "Ben-Eliezer", "Noam", "" ] ]
Quantitative Susceptibility Mapping (QSM) is a technique for measuring magnetic susceptibility of tissues, aiding in the detection of pathologies like traumatic brain injury and multiple sclerosis by analyzing variations in substances such as iron and calcium. Despite its clinical value, achieving high-resolution QSM (voxel sizes < 1 mm3) reduces signal-to-noise ratio (SNR), compromising diagnostic quality. To mitigate this, we applied the Marchenko-Pastur Principal Component Analysis (MP-PCA) denoising technique on T2* weighted data, to enhance the quality of R2*, T2*, and QSM maps. Denoising was tested on a numerical phantom, healthy subjects, and patients with brain metastases and sickle cell disease, demonstrating effective and robust improvements across different scan settings. Further analysis examined noise propagation in R2* and T2* values, revealing lower noise-related variations in R2* values compared to T2* values which tended to be overestimated due to noise. Reduced variability was observed in QSM values post denoising, demonstrating MP-PCA's potential to improve the
1504.07833
Ovidiu Radulescu
Ovidiu Radulescu, Satya Swarup Samal, Aur\'elien Naldi, Dima Grigoriev, Andreas Weber
Symbolic dynamics of biochemical pathways as finite states machines
null
null
null
null
q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We discuss the symbolic dynamics of biochemical networks with separate timescales. We show that symbolic dynamics of monomolecular reaction networks with separated rate constants can be described by deterministic, acyclic automata with a number of states that is inferior to the number of biochemical species. For nonlinear pathways, we propose a general approach to approximate their dynamics by finite state machines working on the metastable states of the network (long life states where the system has slow dynamics). For networks with polynomial rate functions we propose to compute metastable states as solutions of the tropical equilibration problem. Tropical equilibrations are defined by the equality of at least two dominant monomials of opposite signs in the differential equations of each dynamic variable. In algebraic geometry, tropical equilibrations are tantamount to tropical prevarieties, that are finite intersections of tropical hypersurfaces.
[ { "created": "Wed, 29 Apr 2015 12:38:17 GMT", "version": "v1" }, { "created": "Sun, 5 Jul 2015 20:25:22 GMT", "version": "v2" } ]
2015-07-07
[ [ "Radulescu", "Ovidiu", "" ], [ "Samal", "Satya Swarup", "" ], [ "Naldi", "Aurélien", "" ], [ "Grigoriev", "Dima", "" ], [ "Weber", "Andreas", "" ] ]
We discuss the symbolic dynamics of biochemical networks with separate timescales. We show that symbolic dynamics of monomolecular reaction networks with separated rate constants can be described by deterministic, acyclic automata with a number of states that is inferior to the number of biochemical species. For nonlinear pathways, we propose a general approach to approximate their dynamics by finite state machines working on the metastable states of the network (long life states where the system has slow dynamics). For networks with polynomial rate functions we propose to compute metastable states as solutions of the tropical equilibration problem. Tropical equilibrations are defined by the equality of at least two dominant monomials of opposite signs in the differential equations of each dynamic variable. In algebraic geometry, tropical equilibrations are tantamount to tropical prevarieties, that are finite intersections of tropical hypersurfaces.
2310.09175
Kingsley Cox
Kingsley J.A. Cox and Paul R. Adams
Shedding light on social learning
11 pages 8 figures
null
null
null
q-bio.NC q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Culture involves the origination and transmission of ideas, but the conditions in which culture can emerge and evolve are unclear. We constructed and studied a highly simplified neural-network model of these processes. In this model ideas originate by individual learning from the environment and are transmitted by communication between individuals. Individuals (or "agents") comprise a single neuron which receives structured data from the environment via plastic synaptic connections. The data are generated in the simplest possible way: linear mixing of independently fluctuating sources and the goal of learning is to unmix the data. To make this problem tractable we assume that at least one of the sources fluctuates in a nonGaussian manner. Linear mixing creates structure in the data, and agents attempt to learn (from the data and possibly from other individuals) synaptic weights that will unmix, i.e., to "understand" the agent's world. For a variety of reasons even this goal can be difficult for a single agent to achieve; we studied one particular type of difficulty (created by imperfection in synaptic plasticity), though our conclusions should carry over to many other types of difficulty. We previously studied whether a small population of communicating agents, learning from each other, could more easily learn unmixing coefficients than isolated individuals, learning only from their environment. We found, unsurprisingly, that if agents learn indiscriminately from any other agent (whether or not they have learned good solutions), communication does not enhance understanding. Here we extend the model slightly, by allowing successful learners to be more effective teachers, and find that now a population of agents can learn more effectively than isolated individuals. We suggest that a key factor in the onset of culture might be the development of selective learning.
[ { "created": "Fri, 13 Oct 2023 15:09:44 GMT", "version": "v1" } ]
2023-10-16
[ [ "Cox", "Kingsley J. A.", "" ], [ "Adams", "Paul R.", "" ] ]
Culture involves the origination and transmission of ideas, but the conditions in which culture can emerge and evolve are unclear. We constructed and studied a highly simplified neural-network model of these processes. In this model ideas originate by individual learning from the environment and are transmitted by communication between individuals. Individuals (or "agents") comprise a single neuron which receives structured data from the environment via plastic synaptic connections. The data are generated in the simplest possible way: linear mixing of independently fluctuating sources and the goal of learning is to unmix the data. To make this problem tractable we assume that at least one of the sources fluctuates in a nonGaussian manner. Linear mixing creates structure in the data, and agents attempt to learn (from the data and possibly from other individuals) synaptic weights that will unmix, i.e., to "understand" the agent's world. For a variety of reasons even this goal can be difficult for a single agent to achieve; we studied one particular type of difficulty (created by imperfection in synaptic plasticity), though our conclusions should carry over to many other types of difficulty. We previously studied whether a small population of communicating agents, learning from each other, could more easily learn unmixing coefficients than isolated individuals, learning only from their environment. We found, unsurprisingly, that if agents learn indiscriminately from any other agent (whether or not they have learned good solutions), communication does not enhance understanding. Here we extend the model slightly, by allowing successful learners to be more effective teachers, and find that now a population of agents can learn more effectively than isolated individuals. We suggest that a key factor in the onset of culture might be the development of selective learning.
2011.05853
Robert Worden
Robert Worden
The Aggregator Model of Spatial Cognition
null
null
null
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Tracking the positions of objects in local space is a core function of animal brains. We do not yet understand how it is done with limited neural resources. The challenges of spatial cognition are discussed under the criteria: (a) scaling of computational costs; (b) feature binding; (c) precise calculation of spatial displacements; (d) fast learning of invariant patterns; and (e) exploiting the strong Bayesian prior of object constancy. The leading current models of spatial cognition are Hierarchical Bayesian models of vision, and Deep Neural Nets. These are typically fully distributed models, which compute using direct communication links between a set of modular knowledge sources, and no other essential components. Their distributed nature leads to difficulties with the criteria (a) - (e). I discuss an alternative model of spatial cognition, which uses a single central position aggregator to store estimated locations of each object or feature, and applies constraints on locations in an iterative cycle between the aggregator and the knowledge sources. This model has advantages in addressing the criteria (a) - (e). If there is an aggregator in mammalian brains, there are reasons to believe that it is in the thalamus. I outline a possible neural realisation of the aggregator function in the thalamus.
[ { "created": "Wed, 4 Nov 2020 12:22:59 GMT", "version": "v1" }, { "created": "Thu, 19 Nov 2020 18:01:40 GMT", "version": "v2" } ]
2020-11-20
[ [ "Worden", "Robert", "" ] ]
Tracking the positions of objects in local space is a core function of animal brains. We do not yet understand how it is done with limited neural resources. The challenges of spatial cognition are discussed under the criteria: (a) scaling of computational costs; (b) feature binding; (c) precise calculation of spatial displacements; (d) fast learning of invariant patterns; and (e) exploiting the strong Bayesian prior of object constancy. The leading current models of spatial cognition are Hierarchical Bayesian models of vision, and Deep Neural Nets. These are typically fully distributed models, which compute using direct communication links between a set of modular knowledge sources, and no other essential components. Their distributed nature leads to difficulties with the criteria (a) - (e). I discuss an alternative model of spatial cognition, which uses a single central position aggregator to store estimated locations of each object or feature, and applies constraints on locations in an iterative cycle between the aggregator and the knowledge sources. This model has advantages in addressing the criteria (a) - (e). If there is an aggregator in mammalian brains, there are reasons to believe that it is in the thalamus. I outline a possible neural realisation of the aggregator function in the thalamus.
2306.09408
Zachary G. Nicolaou
Zachary G. Nicolaou, Schuyler B. Nicholson, Adilson E. Motter, and Jason R. Green
Prevalence of multistability and nonstationarity in driven chemical networks
12 pages, 4 figures
J. Chem. Phys. 158, 225101 (2023)
10.1063/5.0142589
null
q-bio.MN nlin.AO
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
External flows of energy, entropy, and matter can cause sudden transitions in the stability of biological and industrial systems, fundamentally altering their dynamical function. How might we control and design these transitions in chemical reaction networks? Here, we analyze transitions giving rise to complex behavior in random reaction networks subject to external driving forces. In the absence of driving, we characterize the uniqueness of the steady state and identify the percolation of a giant connected component in these networks as the number of reactions increases. When subject to chemical driving (influx and outflux of chemical species), the steady state can undergo bifurcations, leading to multistability or oscillatory dynamics. By quantifying the prevalence of these bifurcations, we show how chemical driving and network sparsity tend to promote the emergence of these complex dynamics and increased rates of entropy production. We show that catalysis also plays an important role in the emergence of complexity, strongly correlating with the prevalence of bifurcations. Our results suggest that coupling a minimal number of chemical signatures with external driving can lead to features present in biochemical processes and abiogenesis.
[ { "created": "Thu, 15 Jun 2023 18:00:02 GMT", "version": "v1" } ]
2023-06-19
[ [ "Nicolaou", "Zachary G.", "" ], [ "Nicholson", "Schuyler B.", "" ], [ "Motter", "Adilson E.", "" ], [ "Green", "Jason R.", "" ] ]
External flows of energy, entropy, and matter can cause sudden transitions in the stability of biological and industrial systems, fundamentally altering their dynamical function. How might we control and design these transitions in chemical reaction networks? Here, we analyze transitions giving rise to complex behavior in random reaction networks subject to external driving forces. In the absence of driving, we characterize the uniqueness of the steady state and identify the percolation of a giant connected component in these networks as the number of reactions increases. When subject to chemical driving (influx and outflux of chemical species), the steady state can undergo bifurcations, leading to multistability or oscillatory dynamics. By quantifying the prevalence of these bifurcations, we show how chemical driving and network sparsity tend to promote the emergence of these complex dynamics and increased rates of entropy production. We show that catalysis also plays an important role in the emergence of complexity, strongly correlating with the prevalence of bifurcations. Our results suggest that coupling a minimal number of chemical signatures with external driving can lead to features present in biochemical processes and abiogenesis.
2207.04568
Tom Chou
Xiangting Li and Tom Chou
Stochastic dynamics and ribosome-RNAP interactions in Transcription-Translation Coupling
Submitted to Biophysical Journal. 23 pages, 11 figures
null
10.1016/j.bpj.2022.09.041
null
q-bio.SC cond-mat.stat-mech q-bio.BM
http://creativecommons.org/licenses/by-nc-nd/4.0/
Under certain cellular conditions, transcription and mRNA translation in prokaryotes appear to be "coupled," in which the formation of mRNA transcript and production of its associated protein are temporally correlated. Such transcription-translation coupling (TTC) has been evoked as a mechanism that speeds up the overall process, provides protection during the transcription, and/or regulates the timing of transcript and protein formation. What molecular mechanisms underlie ribosome-RNAP coupling and how they can perform these functions have not been explicitly modeled. We develop and analyze a continuous-time stochastic model that incorporates ribosome and RNAP elongation rates, initiation and termination rates, RNAP pausing, and direct ribosome and RNAP interactions (exclusion and binding). Our model predicts how distributions of delay times depend on these molecular features of transcription and translation. We also propose additional measures for TTC: a direct ribosome-RNAP binding probability and the fraction of time the translation-transcription process is "protected" from attack by transcription-terminating proteins. These metrics quantify different aspects of TTC and differentially depend on parameters of known molecular processes. We use our metrics to reveal how and when our model can exhibit either acceleration or deceleration of transcription, as well as protection from termination. Our detailed mechanistic model provides a basis for designing new experimental assays that can better elucidate the mechanisms of TTC.
[ { "created": "Sun, 10 Jul 2022 23:55:46 GMT", "version": "v1" } ]
2023-01-18
[ [ "Li", "Xiangting", "" ], [ "Chou", "Tom", "" ] ]
Under certain cellular conditions, transcription and mRNA translation in prokaryotes appear to be "coupled," in which the formation of mRNA transcript and production of its associated protein are temporally correlated. Such transcription-translation coupling (TTC) has been evoked as a mechanism that speeds up the overall process, provides protection during the transcription, and/or regulates the timing of transcript and protein formation. What molecular mechanisms underlie ribosome-RNAP coupling and how they can perform these functions have not been explicitly modeled. We develop and analyze a continuous-time stochastic model that incorporates ribosome and RNAP elongation rates, initiation and termination rates, RNAP pausing, and direct ribosome and RNAP interactions (exclusion and binding). Our model predicts how distributions of delay times depend on these molecular features of transcription and translation. We also propose additional measures for TTC: a direct ribosome-RNAP binding probability and the fraction of time the translation-transcription process is "protected" from attack by transcription-terminating proteins. These metrics quantify different aspects of TTC and differentially depend on parameters of known molecular processes. We use our metrics to reveal how and when our model can exhibit either acceleration or deceleration of transcription, as well as protection from termination. Our detailed mechanistic model provides a basis for designing new experimental assays that can better elucidate the mechanisms of TTC.
2405.07771
Samuel Gornard-Laidet
Samuel Gornard (EGCE), Florence Mougel, Isabelle Germon, V\'eronique Borday-Birraux, Pascaline Venon, Salimata Drabo, Laure Marie-Paule Kaiser-Arnauld
Cellular dynamics of host-parasitoid interactions: Insights from the encapsulation process in a partially resistant host
null
null
null
null
q-bio.CB
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Cotesia typhae is an eastern African endoparasitoid braconid wasp that targets the larval stage of the lepidopteran stem borer, Sesamia nonagrioides, a maize crop pest in Europe. The French host population is partially resistant to the Makindu strain of the wasp, allowing its development in only 40% of the cases. Resistant larvae can encapsulate the parasitoid and survive the infection. This interaction provides a very interesting frame for investigating the impact of parasitism on host cellular resistance. We characterized the parasitoid ovolarval development in a permissive host and studied the encapsulation process in a resistant host by dissection and histological sectioning compared to that of inert chromatography beads. We measured the total hemocyte count in parasitized and bead-injected larvae over time to monitor the magnitude of the immune reaction. Our results show that parasitism of resistant hosts delayed encapsulation but did not affect immune abilities towards inert beads. Moreover, while bead injection increased total hemocyte count, it remained constant in resistant and permissive larvae. We conclude that while Cotesia spp virulence factors are known to impair the host immune system, our results suggest that passive evasion could also occur.
[ { "created": "Mon, 13 May 2024 14:16:19 GMT", "version": "v1" } ]
2024-05-14
[ [ "Gornard", "Samuel", "", "EGCE" ], [ "Mougel", "Florence", "" ], [ "Germon", "Isabelle", "" ], [ "Borday-Birraux", "Véronique", "" ], [ "Venon", "Pascaline", "" ], [ "Drabo", "Salimata", "" ], [ "Kaiser-Arnauld", "Laure Marie-Paule", "" ] ]
Cotesia typhae is an eastern African endoparasitoid braconid wasp that targets the larval stage of the lepidopteran stem borer, Sesamia nonagrioides, a maize crop pest in Europe. The French host population is partially resistant to the Makindu strain of the wasp, allowing its development in only 40% of the cases. Resistant larvae can encapsulate the parasitoid and survive the infection. This interaction provides a very interesting frame for investigating the impact of parasitism on host cellular resistance. We characterized the parasitoid ovolarval development in a permissive host and studied the encapsulation process in a resistant host by dissection and histological sectioning compared to that of inert chromatography beads. We measured the total hemocyte count in parasitized and bead-injected larvae over time to monitor the magnitude of the immune reaction. Our results show that parasitism of resistant hosts delayed encapsulation but did not affect immune abilities towards inert beads. Moreover, while bead injection increased total hemocyte count, it remained constant in resistant and permissive larvae. We conclude that while Cotesia spp virulence factors are known to impair the host immune system, our results suggest that passive evasion could also occur.
2006.15706
Rudy Kusdiantara
H. Susanto, V.R. Tjahjono, A. Hasan, M.F. Kasim, N. Nuraini, E.R.M. Putri, R. Kusdiantara, H. Kurniawan
How many can you infect? Simple (and naive) methods of estimating the reproduction number
http://journals.itb.ac.id/index.php/cbms/article/view/13808
COMMUN. BIOMATH. SCI., VOL. 3, NO. 1, 2020, PP. 28-36, 2020
null
null
q-bio.PE physics.soc-ph q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
This is a pedagogical paper on estimating the number of people that can be infected by one infectious person during an epidemic outbreak, known as the reproduction number. Knowing the number is crucial for developing policy responses. There are generally two types of such a number, i.e., basic and effective (or instantaneous). While basic reproduction number is the average expected number of cases directly generated by one case in a population where all individuals are susceptible, effective reproduction number is the number of cases generated in the current state of a population. In this paper, we exploit the deterministic susceptible-infected-removed (SIR) model to estimate them through three different numerical approximations. We apply the methods to the pandemic COVID-19 in Italy to provide insights into the spread of the disease in the country. We see that the effect of the national lockdown in slowing down the disease exponential growth appeared about two weeks after the implementation date. We also discuss available improvements to the simple (and naive) methods that have been made by researchers in the field. Authors of this paper are members of the SimcovID (Simulasi dan Pemodelan COVID-19 Indonesia) collaboration.
[ { "created": "Sun, 28 Jun 2020 20:45:29 GMT", "version": "v1" } ]
2020-06-30
[ [ "Susanto", "H.", "" ], [ "Tjahjono", "V. R.", "" ], [ "Hasan", "A.", "" ], [ "Kasim", "M. F.", "" ], [ "Nuraini", "N.", "" ], [ "Putri", "E. R. M.", "" ], [ "Kusdiantara", "R.", "" ], [ "Kurniawan", "H.", "" ] ]
This is a pedagogical paper on estimating the number of people that can be infected by one infectious person during an epidemic outbreak, known as the reproduction number. Knowing the number is crucial for developing policy responses. There are generally two types of such a number, i.e., basic and effective (or instantaneous). While basic reproduction number is the average expected number of cases directly generated by one case in a population where all individuals are susceptible, effective reproduction number is the number of cases generated in the current state of a population. In this paper, we exploit the deterministic susceptible-infected-removed (SIR) model to estimate them through three different numerical approximations. We apply the methods to the pandemic COVID-19 in Italy to provide insights into the spread of the disease in the country. We see that the effect of the national lockdown in slowing down the disease exponential growth appeared about two weeks after the implementation date. We also discuss available improvements to the simple (and naive) methods that have been made by researchers in the field. Authors of this paper are members of the SimcovID (Simulasi dan Pemodelan COVID-19 Indonesia) collaboration.
q-bio/0512048
Marek Czachor
Diederik Aerts, Marek Czachor
Two-state dynamics for replicating two-strand systems
revtex, 3 eps figures
Open Systems & Inf. Dynamics 14, 397-410 (2007)
null
null
q-bio.PE nlin.PS quant-ph
null
We propose a formalism for describing two-strand systems of a DNA type by means of soliton von Neumann equations, and illustrate how it works on a simple example exactly solvably by a Darboux transformation. The main idea behind the construction is the link between solutions of von Neumann equations and entangled states of systems consisting of two subsystems evolving in time in opposite directions. Such a time evolution has analogies in realistic DNA where the polymerazes move on leading and lagging strands in opposite directions.
[ { "created": "Fri, 30 Dec 2005 16:15:13 GMT", "version": "v1" } ]
2008-01-30
[ [ "Aerts", "Diederik", "" ], [ "Czachor", "Marek", "" ] ]
We propose a formalism for describing two-strand systems of a DNA type by means of soliton von Neumann equations, and illustrate how it works on a simple example exactly solvably by a Darboux transformation. The main idea behind the construction is the link between solutions of von Neumann equations and entangled states of systems consisting of two subsystems evolving in time in opposite directions. Such a time evolution has analogies in realistic DNA where the polymerazes move on leading and lagging strands in opposite directions.
2106.02948
Yu Takagi
Yu Takagi, Laurence T. Hunt, Ryu Ohata, Hiroshi Imamizu, Jun-ichiro Hirayama
Neural dSCA: demixing multimodal interaction among brain areas during naturalistic experiments
null
null
null
null
q-bio.NC cs.AI cs.LG
http://creativecommons.org/licenses/by/4.0/
Multi-regional interaction among neuronal populations underlies the brain's processing of rich sensory information in our daily lives. Recent neuroscience and neuroimaging studies have increasingly used naturalistic stimuli and experimental design to identify such realistic sensory computation in the brain. However, existing methods for cross-areal interaction analysis with dimensionality reduction, such as reduced-rank regression and canonical correlation analysis, have limited applicability and interpretability in naturalistic settings because they usually do not appropriately 'demix' neural interactions into those associated with different types of task parameters or stimulus features (e.g., visual or audio). In this paper, we develop a new method for cross-areal interaction analysis that uses the rich task or stimulus parameters to reveal how and what types of information are shared by different neural populations. The proposed neural demixed shared component analysis combines existing dimensionality reduction methods with a practical neural network implementation of functional analysis of variance with latent variables, thereby efficiently demixing nonlinear effects of continuous and multimodal stimuli. We also propose a simplifying alternative under the assumptions of linear effects and unimodal stimuli. To demonstrate our methods, we analyzed two human neuroimaging datasets of participants watching naturalistic videos of movies and dance movements. The results demonstrate that our methods provide new insights into multi-regional interaction in the brain during naturalistic sensory inputs, which cannot be captured by conventional techniques.
[ { "created": "Sat, 5 Jun 2021 19:16:21 GMT", "version": "v1" } ]
2021-06-08
[ [ "Takagi", "Yu", "" ], [ "Hunt", "Laurence T.", "" ], [ "Ohata", "Ryu", "" ], [ "Imamizu", "Hiroshi", "" ], [ "Hirayama", "Jun-ichiro", "" ] ]
Multi-regional interaction among neuronal populations underlies the brain's processing of rich sensory information in our daily lives. Recent neuroscience and neuroimaging studies have increasingly used naturalistic stimuli and experimental design to identify such realistic sensory computation in the brain. However, existing methods for cross-areal interaction analysis with dimensionality reduction, such as reduced-rank regression and canonical correlation analysis, have limited applicability and interpretability in naturalistic settings because they usually do not appropriately 'demix' neural interactions into those associated with different types of task parameters or stimulus features (e.g., visual or audio). In this paper, we develop a new method for cross-areal interaction analysis that uses the rich task or stimulus parameters to reveal how and what types of information are shared by different neural populations. The proposed neural demixed shared component analysis combines existing dimensionality reduction methods with a practical neural network implementation of functional analysis of variance with latent variables, thereby efficiently demixing nonlinear effects of continuous and multimodal stimuli. We also propose a simplifying alternative under the assumptions of linear effects and unimodal stimuli. To demonstrate our methods, we analyzed two human neuroimaging datasets of participants watching naturalistic videos of movies and dance movements. The results demonstrate that our methods provide new insights into multi-regional interaction in the brain during naturalistic sensory inputs, which cannot be captured by conventional techniques.
1710.10860
Christopher Lester
Christopher Lester
Efficient simulation techniques for biochemical reaction networks
Doctor of Philosophy thesis submitted at the University of Oxford. This research was supervised by Prof Ruth E. Baker and Dr Christian A. Yates
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Discrete-state, continuous-time Markov models are becoming commonplace in the modelling of biochemical processes. The mathematical formulations that such models lead to are opaque, and, due to their complexity, are often considered analytically intractable. As such, a variety of Monte Carlo simulation algorithms have been developed to explore model dynamics empirically. Whilst well-known methods, such as the Gillespie Algorithm, can be implemented to investigate a given model, the computational demands of traditional simulation techniques remain a significant barrier to modern research. In order to further develop and explore biologically relevant stochastic models, new and efficient computational methods are required. In this thesis, high-performance simulation algorithms are developed to estimate summary statistics that characterise a chosen reaction network. The algorithms make use of variance reduction techniques, which exploit statistical properties of the model dynamics, to improve performance. The multi-level method is an example of a variance reduction technique. The method estimates summary statistics of well-mixed, spatially homogeneous models by using estimates from multiple ensembles of sample paths of different accuracies. In this thesis, the multi-level method is developed in three directions: firstly, a nuanced implementation framework is described; secondly, a reformulated method is applied to stiff reaction systems; and, finally, different approaches to variance reduction are implemented and compared. The variance reduction methods that underpin the multi-level method are then re-purposed to understand how the dynamics of a spatially-extended Markov model are affected by changes in its input parameters. By exploiting the inherent dynamics of spatially-extended models, an efficient finite difference scheme is used to estimate parametric sensitivities robustly.
[ { "created": "Mon, 30 Oct 2017 10:48:02 GMT", "version": "v1" } ]
2017-10-31
[ [ "Lester", "Christopher", "" ] ]
Discrete-state, continuous-time Markov models are becoming commonplace in the modelling of biochemical processes. The mathematical formulations that such models lead to are opaque, and, due to their complexity, are often considered analytically intractable. As such, a variety of Monte Carlo simulation algorithms have been developed to explore model dynamics empirically. Whilst well-known methods, such as the Gillespie Algorithm, can be implemented to investigate a given model, the computational demands of traditional simulation techniques remain a significant barrier to modern research. In order to further develop and explore biologically relevant stochastic models, new and efficient computational methods are required. In this thesis, high-performance simulation algorithms are developed to estimate summary statistics that characterise a chosen reaction network. The algorithms make use of variance reduction techniques, which exploit statistical properties of the model dynamics, to improve performance. The multi-level method is an example of a variance reduction technique. The method estimates summary statistics of well-mixed, spatially homogeneous models by using estimates from multiple ensembles of sample paths of different accuracies. In this thesis, the multi-level method is developed in three directions: firstly, a nuanced implementation framework is described; secondly, a reformulated method is applied to stiff reaction systems; and, finally, different approaches to variance reduction are implemented and compared. The variance reduction methods that underpin the multi-level method are then re-purposed to understand how the dynamics of a spatially-extended Markov model are affected by changes in its input parameters. By exploiting the inherent dynamics of spatially-extended models, an efficient finite difference scheme is used to estimate parametric sensitivities robustly.
2004.03934
Ginestra Bianconi
Ginestra Bianconi, Pavel L. Krapivsky
Epidemics with containment measures
(15 pages, 6 figures)
Phys. Rev. E 102, 032305 (2020)
10.1103/PhysRevE.102.032305
null
q-bio.PE cond-mat.dis-nn cond-mat.stat-mech physics.soc-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We propose a tractable epidemic model that includes containment measures. In the absence of containment measures, the epidemics spread exponentially fast whenever the infectivity rate is positive, $\lambda>0$. The containment measures are modeled by considering a time-dependent modulation of the bare infectivity $\lambda$ leading to effective infectivity that decays in time for each infected individual, mimicking for instance the combined effect of the asymptomatic onset of the disease, testing policies and quarantine. We consider a wide range of temporal kernels for effective infectivity and we investigate the effect of the considered containment measures. We find that not all kernels are able to push the epidemic dynamics below the epidemic threshold, with some containment measures only able to reduce the rate of the exponential growth of newly infected individuals. We also propose a pandemic model caused by a growing number of separated foci.
[ { "created": "Wed, 8 Apr 2020 11:06:20 GMT", "version": "v1" }, { "created": "Wed, 28 Oct 2020 09:22:46 GMT", "version": "v2" } ]
2020-10-29
[ [ "Bianconi", "Ginestra", "" ], [ "Krapivsky", "Pavel L.", "" ] ]
We propose a tractable epidemic model that includes containment measures. In the absence of containment measures, the epidemics spread exponentially fast whenever the infectivity rate is positive, $\lambda>0$. The containment measures are modeled by considering a time-dependent modulation of the bare infectivity $\lambda$ leading to effective infectivity that decays in time for each infected individual, mimicking for instance the combined effect of the asymptomatic onset of the disease, testing policies and quarantine. We consider a wide range of temporal kernels for effective infectivity and we investigate the effect of the considered containment measures. We find that not all kernels are able to push the epidemic dynamics below the epidemic threshold, with some containment measures only able to reduce the rate of the exponential growth of newly infected individuals. We also propose a pandemic model caused by a growing number of separated foci.
2407.06596
Benjamin Morillon
J\'er\'emy Giroud, Benjamin Morillon (INS)
Beyond acoustics -- capacity limitations of linguistic levels
Rhythms of Speech and Language-Table of Contents, In press
null
null
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Speech is a multiplexed signal displaying levels of complexity, organizational principles and perceptual units of analysis at distinct timescales. This critical acoustic signal for human communication is thus characterized at distinct representational and temporal scales, related to distinct linguistic features, from acoustic to supra-lexical. This chapter presents an overview of experimental work devoted to the characterization of the speech signal at different timescales, beyond its acoustic properties. The functional relevance of these different levels of analysis for speech processing is discussed. We advocate that studying speech perception through the prism of multi-time scale representations effectively integrates work from various research areas into a coherent picture and contributes significantly to increase our knowledge on the topic. Finally, we discuss how these experimental results fit with neural data and current dynamical models of speech perception.
[ { "created": "Tue, 9 Jul 2024 06:57:07 GMT", "version": "v1" } ]
2024-07-10
[ [ "Giroud", "Jérémy", "", "INS" ], [ "Morillon", "Benjamin", "", "INS" ] ]
Speech is a multiplexed signal displaying levels of complexity, organizational principles and perceptual units of analysis at distinct timescales. This critical acoustic signal for human communication is thus characterized at distinct representational and temporal scales, related to distinct linguistic features, from acoustic to supra-lexical. This chapter presents an overview of experimental work devoted to the characterization of the speech signal at different timescales, beyond its acoustic properties. The functional relevance of these different levels of analysis for speech processing is discussed. We advocate that studying speech perception through the prism of multi-time scale representations effectively integrates work from various research areas into a coherent picture and contributes significantly to increase our knowledge on the topic. Finally, we discuss how these experimental results fit with neural data and current dynamical models of speech perception.
1506.02539
Christian Matek
Christian Matek, Petr \v{S}ulc, Ferdinando Randisi, Jonathan P. K. Doye, Ard A. Louis
Coarse-grained modelling of supercoiled RNA
8 pages + 5 pages Supplementary Material
J. Chem. Phys. 143, 243122 (2015)
10.1063/1.4933066
null
q-bio.BM cond-mat.soft physics.bio-ph physics.chem-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We study the behaviour of double-stranded RNA under twist and tension using oxRNA, a recently developed coarse-grained model of RNA. Introducing explicit salt-dependence into the model allows us to directly compare our results to data from recent single-molecule experiments. The model reproduces extension curves as a function of twist and stretching force, including the buckling transition and the behaviour of plectoneme structures. For negative supercoiling, we predict denaturation bubble formation in plectoneme end-loops, suggesting preferential plectoneme localisation in weak base sequences. OxRNA exhibits a positive twist-stretch coupling constant, in agreement with recent experimental observations.
[ { "created": "Mon, 8 Jun 2015 15:14:42 GMT", "version": "v1" } ]
2016-01-19
[ [ "Matek", "Christian", "" ], [ "Šulc", "Petr", "" ], [ "Randisi", "Ferdinando", "" ], [ "Doye", "Jonathan P. K.", "" ], [ "Louis", "Ard A.", "" ] ]
We study the behaviour of double-stranded RNA under twist and tension using oxRNA, a recently developed coarse-grained model of RNA. Introducing explicit salt-dependence into the model allows us to directly compare our results to data from recent single-molecule experiments. The model reproduces extension curves as a function of twist and stretching force, including the buckling transition and the behaviour of plectoneme structures. For negative supercoiling, we predict denaturation bubble formation in plectoneme end-loops, suggesting preferential plectoneme localisation in weak base sequences. OxRNA exhibits a positive twist-stretch coupling constant, in agreement with recent experimental observations.
1612.01150
Richard Granger
A Rodriguez, R Granger
The grammar of mammalian brain capacity
18 pages, 2 figures, 2 tables
Theoretical Computer Science 633 (2016) 100-111
10.1016/j.tcs.2016.03.021
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Uniquely human abilities may arise from special-purpose brain circuitry, or from concerted general capacity increases due to our outsized brains. We forward a novel hypothesis of the relation between computational capacity and brain size, linking mathematical formalisms of grammars with the allometric increases in cortical-subcortical ratios that arise in large brains. In sum, i) thalamocortical loops compute formal grammars; ii) successive cortical regions describe grammar rewrite rules of increasing size; iii) cortical-subcortical ratios determine the quantity of stacks in single-stack pushdown grammars; iii) quantitative increase of stacks yields grammars with qualitatively increased computational power. We arrive at the specific conjecture that human brain capacity is equivalent to that of indexed grammars, far short of full Turing-computable (recursively enumerable) systems. The work provides a candidate explanatory account of a range of existing human and animal data, addressing longstanding questions of how repeated similar brain algorithms can be successfully applied to apparently dissimilar computational tasks (e.g., perceptual versus cognitive, phonological versus syntactic); and how quantitative increases to brains can confer qualitative changes to their computational repertoire.
[ { "created": "Sun, 4 Dec 2016 17:40:44 GMT", "version": "v1" } ]
2016-12-06
[ [ "Rodriguez", "A", "" ], [ "Granger", "R", "" ] ]
Uniquely human abilities may arise from special-purpose brain circuitry, or from concerted general capacity increases due to our outsized brains. We forward a novel hypothesis of the relation between computational capacity and brain size, linking mathematical formalisms of grammars with the allometric increases in cortical-subcortical ratios that arise in large brains. In sum, i) thalamocortical loops compute formal grammars; ii) successive cortical regions describe grammar rewrite rules of increasing size; iii) cortical-subcortical ratios determine the quantity of stacks in single-stack pushdown grammars; iii) quantitative increase of stacks yields grammars with qualitatively increased computational power. We arrive at the specific conjecture that human brain capacity is equivalent to that of indexed grammars, far short of full Turing-computable (recursively enumerable) systems. The work provides a candidate explanatory account of a range of existing human and animal data, addressing longstanding questions of how repeated similar brain algorithms can be successfully applied to apparently dissimilar computational tasks (e.g., perceptual versus cognitive, phonological versus syntactic); and how quantitative increases to brains can confer qualitative changes to their computational repertoire.
2406.06985
Huiming Xia
Huiming Xia, My Hoang, Evelyn Schmidt, Susanna Kiwala, Joshua McMichael, Zachary L. Skidmore, Bryan Fisk, Jonathan J. Song, Jasreet Hundal, Thomas Mooney, Jason R. Walker, S. Peter Goedegebuure, Christopher A. Miller, William E. Gillanders, Obi L. Griffith, Malachi Griffith
pVACview: an interactive visualization tool for efficient neoantigen prioritization and selection
Supplemental tables available at 10.5281/zenodo.11534338
null
null
null
q-bio.GN
http://creativecommons.org/licenses/by/4.0/
Neoantigen targeting therapies including personalized vaccines have shown promise in the treatment of cancers. Accurate identification/prioritization of neoantigens is highly relevant to designing clinical trials, predicting treatment response, and understanding mechanisms of resistance. With the advent of massively parallel sequencing technologies, it is now possible to predict neoantigens based on patient-specific variant information. However, numerous factors must be considered when prioritizing neoantigens for use in personalized therapies. Complexities such as alternative transcript annotations, various binding, presentation and immunogenicity prediction algorithms, and variable peptide lengths/registers all potentially impact the neoantigen selection process. While computational tools generate numerous algorithmic predictions for neoantigen characterization, results from these pipelines are difficult to navigate and require extensive knowledge of the underlying tools for accurate interpretation. Due to the intricate nature and number of salient neoantigen features, presenting all relevant information to facilitate candidate selection for downstream applications is a difficult challenge that current tools fail to address. We have created pVACview, the first interactive tool designed to aid in the prioritization and selection of neoantigen candidates for personalized neoantigen therapies. pVACview has a user-friendly and intuitive interface where users can upload, explore, select and export their neoantigen candidates. The tool allows users to visualize candidates using variant, transcript and peptide information. pVACview will allow researchers to analyze and prioritize neoantigen candidates with greater efficiency and accuracy in basic and translational settings. The application is available as part of the pVACtools pipeline at pvactools.org and as an online server at pvacview.org.
[ { "created": "Tue, 11 Jun 2024 06:28:56 GMT", "version": "v1" } ]
2024-06-12
[ [ "Xia", "Huiming", "" ], [ "Hoang", "My", "" ], [ "Schmidt", "Evelyn", "" ], [ "Kiwala", "Susanna", "" ], [ "McMichael", "Joshua", "" ], [ "Skidmore", "Zachary L.", "" ], [ "Fisk", "Bryan", "" ], [ "Song", "Jonathan J.", "" ], [ "Hundal", "Jasreet", "" ], [ "Mooney", "Thomas", "" ], [ "Walker", "Jason R.", "" ], [ "Goedegebuure", "S. Peter", "" ], [ "Miller", "Christopher A.", "" ], [ "Gillanders", "William E.", "" ], [ "Griffith", "Obi L.", "" ], [ "Griffith", "Malachi", "" ] ]
Neoantigen targeting therapies including personalized vaccines have shown promise in the treatment of cancers. Accurate identification/prioritization of neoantigens is highly relevant to designing clinical trials, predicting treatment response, and understanding mechanisms of resistance. With the advent of massively parallel sequencing technologies, it is now possible to predict neoantigens based on patient-specific variant information. However, numerous factors must be considered when prioritizing neoantigens for use in personalized therapies. Complexities such as alternative transcript annotations, various binding, presentation and immunogenicity prediction algorithms, and variable peptide lengths/registers all potentially impact the neoantigen selection process. While computational tools generate numerous algorithmic predictions for neoantigen characterization, results from these pipelines are difficult to navigate and require extensive knowledge of the underlying tools for accurate interpretation. Due to the intricate nature and number of salient neoantigen features, presenting all relevant information to facilitate candidate selection for downstream applications is a difficult challenge that current tools fail to address. We have created pVACview, the first interactive tool designed to aid in the prioritization and selection of neoantigen candidates for personalized neoantigen therapies. pVACview has a user-friendly and intuitive interface where users can upload, explore, select and export their neoantigen candidates. The tool allows users to visualize candidates using variant, transcript and peptide information. pVACview will allow researchers to analyze and prioritize neoantigen candidates with greater efficiency and accuracy in basic and translational settings. The application is available as part of the pVACtools pipeline at pvactools.org and as an online server at pvacview.org.
q-bio/0612037
Le Zhang
Le Zhang, Costas G. Strouthos, Zhihui Wang, and Thomas S. Deisboeck
Simulating Brain Tumor Heterogeneity with a Multiscale Agent-Based Model: Linking Molecular Signatures, Phenotypes and Expansion Rate
37 pages, 10 figures
Mathematical and Computer Modelling 49 (1-2), pp. 307-319, 2009
10.1016/j.mcm.2008.05.011
null
q-bio.TO q-bio.MN
null
We have extended our previously developed 3D multi-scale agent-based brain tumor model to simulate cancer heterogeneity and to analyze its impact across the scales of interest. While our algorithm continues to employ an epidermal growth factor receptor (EGFR) gene-protein interaction network to determine the cells' phenotype, it now adds an explicit treatment of tumor cell adhesion related to the model's biochemical microenvironment. We simulate a simplified tumor progression pathway that leads to the emergence of five distinct glioma cell clones with different EGFR density and cell 'search precisions'. The in silico results show that microscopic tumor heterogeneity can impact the tumor system's multicellular growth patterns. Our findings further confirm that EGFR density results in the more aggressive clonal populations switching earlier from proliferation-dominated to a more migratory phenotype. Moreover, analyzing the dynamic molecular profile that triggers the phenotypic switch between proliferation and migration, our in silico oncogenomics data display spatial and temporal diversity in documenting the regional impact of tumorigenesis, and thus support the added value of multi-site and repeated assessments in vitro and in vivo. Potential implications from this in silico work for experimental and computational studies are discussed.
[ { "created": "Mon, 18 Dec 2006 20:20:37 GMT", "version": "v1" }, { "created": "Wed, 3 Jan 2007 18:50:02 GMT", "version": "v2" }, { "created": "Mon, 16 Jul 2007 16:47:50 GMT", "version": "v3" } ]
2010-03-23
[ [ "Zhang", "Le", "" ], [ "Strouthos", "Costas G.", "" ], [ "Wang", "Zhihui", "" ], [ "Deisboeck", "Thomas S.", "" ] ]
We have extended our previously developed 3D multi-scale agent-based brain tumor model to simulate cancer heterogeneity and to analyze its impact across the scales of interest. While our algorithm continues to employ an epidermal growth factor receptor (EGFR) gene-protein interaction network to determine the cells' phenotype, it now adds an explicit treatment of tumor cell adhesion related to the model's biochemical microenvironment. We simulate a simplified tumor progression pathway that leads to the emergence of five distinct glioma cell clones with different EGFR density and cell 'search precisions'. The in silico results show that microscopic tumor heterogeneity can impact the tumor system's multicellular growth patterns. Our findings further confirm that EGFR density results in the more aggressive clonal populations switching earlier from proliferation-dominated to a more migratory phenotype. Moreover, analyzing the dynamic molecular profile that triggers the phenotypic switch between proliferation and migration, our in silico oncogenomics data display spatial and temporal diversity in documenting the regional impact of tumorigenesis, and thus support the added value of multi-site and repeated assessments in vitro and in vivo. Potential implications from this in silico work for experimental and computational studies are discussed.
0811.4581
Michal Wojciechowski dr
M. Wojciechowski and Marek Cieplak
Effects of confinement and crowding on folding of model proteins
null
Biosystems. 2008 Dec;94(3):248-52
10.1016/j.biosystems.2008.06.016
null
q-bio.BM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We perform molecular dynamics simulations for a simple coarse-grained model of crambin placed inside of a softly repulsive sphere of radius R. The confinement makes folding at the optimal temperature slower and affects the folding scenarios, but both effects are not dramatic. The influence of crowding on folding are studied by placing several identical proteins within the sphere, denaturing them, and then by monitoring refolding. If the interactions between the proteins are dominated by the excluded volume effects, the net folding times are essentially like for a single protein. An introduction of inter-proteinic attractive contacts hinders folding when the strength of the attraction exceeds about a half of the value of the strength of the single protein contacts. The bigger the strength of the attraction, the more likely is the occurrence of aggregation and misfolding.
[ { "created": "Thu, 27 Nov 2008 16:21:42 GMT", "version": "v1" } ]
2008-12-01
[ [ "Wojciechowski", "M.", "" ], [ "Cieplak", "Marek", "" ] ]
We perform molecular dynamics simulations for a simple coarse-grained model of crambin placed inside of a softly repulsive sphere of radius R. The confinement makes folding at the optimal temperature slower and affects the folding scenarios, but both effects are not dramatic. The influence of crowding on folding are studied by placing several identical proteins within the sphere, denaturing them, and then by monitoring refolding. If the interactions between the proteins are dominated by the excluded volume effects, the net folding times are essentially like for a single protein. An introduction of inter-proteinic attractive contacts hinders folding when the strength of the attraction exceeds about a half of the value of the strength of the single protein contacts. The bigger the strength of the attraction, the more likely is the occurrence of aggregation and misfolding.
q-bio/0401040
Thorsten Poeschel
Thorsten Poeschel, Werner Ebeling, Cornelius Froemmel, Rosa Ramirez
Correction algorithm for finite sample statistics
11 pages, 9 figures
Eur. Phys. J. E, Vol. 12, 531-541 (2003).
null
null
q-bio.OT cond-mat.stat-mech
null
Assume in a sample of size M one finds M_i representatives of species i with i=1...N^*. The normalized frequency p^*_i=M_i/M, based on the finite sample, may deviate considerably from the true probabilities p_i. We propose a method to infer rank-ordered true probabilities r_i from measured frequencies M_i. We show that the rank-ordered probabilities provide important informations on the system, e.g., the true number of species, the Shannon- and the Renyi-entropies.
[ { "created": "Wed, 28 Jan 2004 10:11:19 GMT", "version": "v1" } ]
2007-05-23
[ [ "Poeschel", "Thorsten", "" ], [ "Ebeling", "Werner", "" ], [ "Froemmel", "Cornelius", "" ], [ "Ramirez", "Rosa", "" ] ]
Assume in a sample of size M one finds M_i representatives of species i with i=1...N^*. The normalized frequency p^*_i=M_i/M, based on the finite sample, may deviate considerably from the true probabilities p_i. We propose a method to infer rank-ordered true probabilities r_i from measured frequencies M_i. We show that the rank-ordered probabilities provide important informations on the system, e.g., the true number of species, the Shannon- and the Renyi-entropies.
1501.02402
Ariana Anderson
Ariana E. Anderson, Wesley T. Kerr, April Thames, Tong Li, Jiayang Xiao, Mark S. Cohen
Electronic health record phenotyping improves detection and screening of type 2 diabetes in the general United States population: A cross-sectional, unselected, retrospective study
null
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Objectives: In the United States, 25% of people with type 2 diabetes are undiagnosed. Conventional screening models use limited demographic information to assess risk. We evaluated whether electronic health record (EHR) phenotyping could improve diabetes screening, even when records are incomplete and data are not recorded systematically across patients and practice locations. Methods: In this cross-sectional, retrospective study, data from 9,948 US patients between 2009 and 2012 were used to develop a pre-screening tool to predict current type 2 diabetes, using multivariate logistic regression. We compared (1) a full EHR model containing prescribed medications, diagnoses, and traditional predictive information, (2) a restricted EHR model where medication information was removed, and (3) a conventional model containing only traditional predictive information (BMI, age, gender, hypertensive and smoking status). We additionally used a random-forests classification model to judge whether including additional EHR information could increase the ability to detect patients with Type 2 diabetes on new patient samples. Results: Using a patient's full or restricted EHR to detect diabetes was superior to using basic covariates alone (p<0.001). The random forests model replicated on out-of-bag data. Migraines and cardiac dysrhythmias were negatively associated with type 2 diabetes, while acute bronchitis and herpes zoster were positively associated, among other factors. Conclusions: EHR phenotyping resulted in markedly superior detection of type 2 diabetes in a general US population, could increase the efficiency and accuracy of disease screening, and are capable of picking up signals in real-world records.
[ { "created": "Sat, 10 Jan 2015 23:21:23 GMT", "version": "v1" } ]
2015-01-13
[ [ "Anderson", "Ariana E.", "" ], [ "Kerr", "Wesley T.", "" ], [ "Thames", "April", "" ], [ "Li", "Tong", "" ], [ "Xiao", "Jiayang", "" ], [ "Cohen", "Mark S.", "" ] ]
Objectives: In the United States, 25% of people with type 2 diabetes are undiagnosed. Conventional screening models use limited demographic information to assess risk. We evaluated whether electronic health record (EHR) phenotyping could improve diabetes screening, even when records are incomplete and data are not recorded systematically across patients and practice locations. Methods: In this cross-sectional, retrospective study, data from 9,948 US patients between 2009 and 2012 were used to develop a pre-screening tool to predict current type 2 diabetes, using multivariate logistic regression. We compared (1) a full EHR model containing prescribed medications, diagnoses, and traditional predictive information, (2) a restricted EHR model where medication information was removed, and (3) a conventional model containing only traditional predictive information (BMI, age, gender, hypertensive and smoking status). We additionally used a random-forests classification model to judge whether including additional EHR information could increase the ability to detect patients with Type 2 diabetes on new patient samples. Results: Using a patient's full or restricted EHR to detect diabetes was superior to using basic covariates alone (p<0.001). The random forests model replicated on out-of-bag data. Migraines and cardiac dysrhythmias were negatively associated with type 2 diabetes, while acute bronchitis and herpes zoster were positively associated, among other factors. Conclusions: EHR phenotyping resulted in markedly superior detection of type 2 diabetes in a general US population, could increase the efficiency and accuracy of disease screening, and are capable of picking up signals in real-world records.
2208.09813
Sheng Xu
Sheng Xu, Junkang Wei, Yu Li
Genome-wide nucleotide-resolution model of single-strand break site reveals species evolutionary hierarchy
null
null
null
null
q-bio.GN q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Single-strand breaks (SSBs) are the major DNA damage in the genome arising spontaneously as the outcome of genotoxins and intermediates of DNA transactions. SSBs play a crucial role in various biological processes and show a non-random distribution in the genome. Several SSB detection approaches such as S1 END-seq and SSiNGLe-ILM emerged to characterize the genomic landscape of SSB with nucleotide resolution. However, these sequencing-based methods are costly and unfeasible for large-scale analysis of diverse species. Thus, we proposed the first computational approach, SSBlazer, which is an explainable and scalable deep learning framework for genome-wide nucleotide-resolution SSB site prediction. We demonstrated that SSBlazer can accurately predict SSB sites and sufficiently alleviate false positives by constructing an imbalanced dataset to simulate the realistic SSB distribution. The model interpretation analysis reveals that SSBlazer captures the pattern of individual CpG in genomic context and the motif of TGCC in the center region as critical features. Besides, SSBlazer is a lightweight model with robust cross-species generalization ability in the cross-species evaluation, which enables the large-scale genome-wide application in diverse species. Strikingly, the putative SSB genomic landscapes of 216 vertebrates reveal a negative correlation between SSB frequency and evolutionary hierarchy, suggesting that the genome tends to be integrity during evolution.
[ { "created": "Sun, 21 Aug 2022 06:07:19 GMT", "version": "v1" } ]
2022-08-23
[ [ "Xu", "Sheng", "" ], [ "Wei", "Junkang", "" ], [ "Li", "Yu", "" ] ]
Single-strand breaks (SSBs) are the major DNA damage in the genome arising spontaneously as the outcome of genotoxins and intermediates of DNA transactions. SSBs play a crucial role in various biological processes and show a non-random distribution in the genome. Several SSB detection approaches such as S1 END-seq and SSiNGLe-ILM emerged to characterize the genomic landscape of SSB with nucleotide resolution. However, these sequencing-based methods are costly and unfeasible for large-scale analysis of diverse species. Thus, we proposed the first computational approach, SSBlazer, which is an explainable and scalable deep learning framework for genome-wide nucleotide-resolution SSB site prediction. We demonstrated that SSBlazer can accurately predict SSB sites and sufficiently alleviate false positives by constructing an imbalanced dataset to simulate the realistic SSB distribution. The model interpretation analysis reveals that SSBlazer captures the pattern of individual CpG in genomic context and the motif of TGCC in the center region as critical features. Besides, SSBlazer is a lightweight model with robust cross-species generalization ability in the cross-species evaluation, which enables the large-scale genome-wide application in diverse species. Strikingly, the putative SSB genomic landscapes of 216 vertebrates reveal a negative correlation between SSB frequency and evolutionary hierarchy, suggesting that the genome tends to be integrity during evolution.
q-bio/0702013
Jiafu Wang
Ting Zeng, Jiafu Wang, Shenbing Kuang
Influence of Temperature on Neuronal Excitability in Cochlear Nucleus
5 pages, 4 figures
null
null
null
q-bio.NC
null
The influence of temperature on neuronal excitability is studied by numerical simulations on the spiking threshold characteristics of bushy cells in cochlear nucleus periodically stimulated by synaptic currents. The results reveal that there is a cut-off frequency for the spiking of bushy cell in a specific temperature environment, corresponding to the existence of a critical temperature for the neuron to respond with real spikes to the synaptic stimulus of a given frequency, due to the finiteness of spike width. An optimal temperature range for neuronal spiking is also found for a specific stimulus frequency, and the temperature range span decreases with increasing stimulus frequency. These findings imply that there is a physiological temperature range which is beneficial for the information processing in auditory system.
[ { "created": "Wed, 7 Feb 2007 23:38:42 GMT", "version": "v1" } ]
2007-05-23
[ [ "Zeng", "Ting", "" ], [ "Wang", "Jiafu", "" ], [ "Kuang", "Shenbing", "" ] ]
The influence of temperature on neuronal excitability is studied by numerical simulations on the spiking threshold characteristics of bushy cells in cochlear nucleus periodically stimulated by synaptic currents. The results reveal that there is a cut-off frequency for the spiking of bushy cell in a specific temperature environment, corresponding to the existence of a critical temperature for the neuron to respond with real spikes to the synaptic stimulus of a given frequency, due to the finiteness of spike width. An optimal temperature range for neuronal spiking is also found for a specific stimulus frequency, and the temperature range span decreases with increasing stimulus frequency. These findings imply that there is a physiological temperature range which is beneficial for the information processing in auditory system.
2210.15044
Bartek Rajwa
Abida Sanjana Shemonti, Joshua D. Eisenberg, Robert O. Heuckeroth, Marthe J. Howard, Alex Pothen and Bartek Rajwa
Generative modeling of the enteric nervous system employing point pattern analysis and graph construction
17 pages, 5 figures
null
null
null
q-bio.NC cs.CV q-bio.QM stat.OT
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We describe a generative network model of the architecture of the enteric nervous system (ENS) in the colon employing data from images of human and mouse tissue samples obtained through confocal microscopy. Our models combine spatial point pattern analysis with graph generation to characterize the spatial and topological properties of the ganglia (clusters of neurons and glial cells), the inter-ganglionic connections, and the neuronal organization within the ganglia. We employ a hybrid hardcore-Strauss process for spatial patterns and a planar random graph generation for constructing the spatially embedded network. We show that our generative model may be helpful in both basic and translational studies, and it is sufficiently expressive to model the ENS architecture of individuals who vary in age and health status. Increased understanding of the ENS connectome will enable the use of neuromodulation strategies in treatment and clarify anatomic diagnostic criteria for people with bowel motility disorders.
[ { "created": "Wed, 26 Oct 2022 21:22:41 GMT", "version": "v1" } ]
2022-10-28
[ [ "Shemonti", "Abida Sanjana", "" ], [ "Eisenberg", "Joshua D.", "" ], [ "Heuckeroth", "Robert O.", "" ], [ "Howard", "Marthe J.", "" ], [ "Pothen", "Alex", "" ], [ "Rajwa", "Bartek", "" ] ]
We describe a generative network model of the architecture of the enteric nervous system (ENS) in the colon employing data from images of human and mouse tissue samples obtained through confocal microscopy. Our models combine spatial point pattern analysis with graph generation to characterize the spatial and topological properties of the ganglia (clusters of neurons and glial cells), the inter-ganglionic connections, and the neuronal organization within the ganglia. We employ a hybrid hardcore-Strauss process for spatial patterns and a planar random graph generation for constructing the spatially embedded network. We show that our generative model may be helpful in both basic and translational studies, and it is sufficiently expressive to model the ENS architecture of individuals who vary in age and health status. Increased understanding of the ENS connectome will enable the use of neuromodulation strategies in treatment and clarify anatomic diagnostic criteria for people with bowel motility disorders.
2403.07902
Xiangxin Zhou
Jiaqi Guan, Xiangxin Zhou, Yuwei Yang, Yu Bao, Jian Peng, Jianzhu Ma, Qiang Liu, Liang Wang, Quanquan Gu
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design
Accepted to ICML 2023
null
null
null
q-bio.BM cs.LG
http://creativecommons.org/licenses/by-nc-nd/4.0/
Designing 3D ligands within a target binding site is a fundamental task in drug discovery. Existing structured-based drug design methods treat all ligand atoms equally, which ignores different roles of atoms in the ligand for drug design and can be less efficient for exploring the large drug-like molecule space. In this paper, inspired by the convention in pharmaceutical practice, we decompose the ligand molecule into two parts, namely arms and scaffold, and propose a new diffusion model, DecompDiff, with decomposed priors over arms and scaffold. In order to facilitate the decomposed generation and improve the properties of the generated molecules, we incorporate both bond diffusion in the model and additional validity guidance in the sampling phase. Extensive experiments on CrossDocked2020 show that our approach achieves state-of-the-art performance in generating high-affinity molecules while maintaining proper molecular properties and conformational stability, with up to -8.39 Avg. Vina Dock score and 24.5 Success Rate. The code is provided at https://github.com/bytedance/DecompDiff
[ { "created": "Mon, 26 Feb 2024 05:21:21 GMT", "version": "v1" } ]
2024-03-14
[ [ "Guan", "Jiaqi", "" ], [ "Zhou", "Xiangxin", "" ], [ "Yang", "Yuwei", "" ], [ "Bao", "Yu", "" ], [ "Peng", "Jian", "" ], [ "Ma", "Jianzhu", "" ], [ "Liu", "Qiang", "" ], [ "Wang", "Liang", "" ], [ "Gu", "Quanquan", "" ] ]
Designing 3D ligands within a target binding site is a fundamental task in drug discovery. Existing structured-based drug design methods treat all ligand atoms equally, which ignores different roles of atoms in the ligand for drug design and can be less efficient for exploring the large drug-like molecule space. In this paper, inspired by the convention in pharmaceutical practice, we decompose the ligand molecule into two parts, namely arms and scaffold, and propose a new diffusion model, DecompDiff, with decomposed priors over arms and scaffold. In order to facilitate the decomposed generation and improve the properties of the generated molecules, we incorporate both bond diffusion in the model and additional validity guidance in the sampling phase. Extensive experiments on CrossDocked2020 show that our approach achieves state-of-the-art performance in generating high-affinity molecules while maintaining proper molecular properties and conformational stability, with up to -8.39 Avg. Vina Dock score and 24.5 Success Rate. The code is provided at https://github.com/bytedance/DecompDiff
1701.05970
Matti Gralka
Matti Gralka, Diana Fusco, Stephen Martis, Oskar Hallatschek
Convection shapes the trade-off between antibiotic efficacy and the selection for resistance in spatial gradients
null
null
10.1088/1478-3975/aa7bb3
null
q-bio.PE physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Since penicillin was discovered about 90 years ago, we have become used to using drugs to eradicate unwanted pathogenic cells. However, using drugs to kill bacteria, viruses or cancer cells has the serious side effect of selecting for mutant types that survive the drug attack. A key question therefore is how one could eradicate as many cells as possible for a given acceptable risk of drug resistance evolution. We address this general question in a model of drug resistance evolution in spatial drug gradients, which recent experiments and theories have suggested as key drivers of drug resistance. Importantly, our model takes into account the influence of convection, resulting for instance from blood flow. Using stochastic simulations, we study the fates of individual resistance mutations and quantify the trade-off between the killing of wild-type cells and the rise of resistance mutations: shallow gradients and convection into the antibiotic region promote wild-type death, at the cost of increasing the establishment probability of resistance mutations. We can explain these observed trends by modeling the adaptation process as a branching random walk. Our analysis reveals that the trade-off between death and adaptation depends on the relative length scales of the spatial drug gradient and random dispersal, and the strength of convection. Our results show that convection can have a momentous effect on the rate of establishment of new mutations, and may heavily impact the efficiency of antibiotic treatment.
[ { "created": "Sat, 21 Jan 2017 02:38:18 GMT", "version": "v1" }, { "created": "Tue, 2 May 2017 20:34:47 GMT", "version": "v2" } ]
2017-08-02
[ [ "Gralka", "Matti", "" ], [ "Fusco", "Diana", "" ], [ "Martis", "Stephen", "" ], [ "Hallatschek", "Oskar", "" ] ]
Since penicillin was discovered about 90 years ago, we have become used to using drugs to eradicate unwanted pathogenic cells. However, using drugs to kill bacteria, viruses or cancer cells has the serious side effect of selecting for mutant types that survive the drug attack. A key question therefore is how one could eradicate as many cells as possible for a given acceptable risk of drug resistance evolution. We address this general question in a model of drug resistance evolution in spatial drug gradients, which recent experiments and theories have suggested as key drivers of drug resistance. Importantly, our model takes into account the influence of convection, resulting for instance from blood flow. Using stochastic simulations, we study the fates of individual resistance mutations and quantify the trade-off between the killing of wild-type cells and the rise of resistance mutations: shallow gradients and convection into the antibiotic region promote wild-type death, at the cost of increasing the establishment probability of resistance mutations. We can explain these observed trends by modeling the adaptation process as a branching random walk. Our analysis reveals that the trade-off between death and adaptation depends on the relative length scales of the spatial drug gradient and random dispersal, and the strength of convection. Our results show that convection can have a momentous effect on the rate of establishment of new mutations, and may heavily impact the efficiency of antibiotic treatment.
1711.01632
Khalid Raza
Muniba Faiza, Khushnuma Tanveer, Saman Fatihi, Yonghua Wang, Khalid Raza
Comprehensive overview and assessment of miRNA target prediction tools in human and drosophila melanogaster
26 pages, 9 figures
Current Bioinformatics (2019), 14(5): 432-445
10.2174/1574893614666190103101033
null
q-bio.GN q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
MicroRNAs (miRNAs) are small non-coding RNAs that control gene expression at the post-transcriptional level through complementary base pairing with the target mRNA, leading to mRNA degradation and blocking translation process. Any dysfunctions of these small regulatory molecules have been linked with the development and progression of several diseases. Therefore, it is necessary to reliably predict potential miRNA targets. A large number of computational prediction tools have been developed which provide a faster way to find putative miRNA targets, but at the same time their results are often inconsistent. Hence, finding a reliable, functional miRNA target is still a challenging task. Also, each tool is equipped with different algorithms, and it is difficult for the biologists to know which tool is the best choice for their study. This paper briefly describes fundamental of miRNA target prediction algorithms, discuss frequently used prediction tools, and further, the performance of frequently used prediction tools have been assessed using experimentally validated high confident mature miRNAs and their targets for two organisms Human and Drosophila Melanogaster. Both Drosophila Melanogaster and Human supported miRNA target prediction tools have been evaluated separately to find out best performing tool for each of these two organisms. In the human dataset, TargetScan showed the best results amongst the other predictors followed by the miRmap and microT, whereas in the D. Melanogaster dataset, MicroT tool showed the best performance followed by the TargetScan in the comparison of other tools.
[ { "created": "Sun, 5 Nov 2017 18:19:01 GMT", "version": "v1" } ]
2020-05-01
[ [ "Faiza", "Muniba", "" ], [ "Tanveer", "Khushnuma", "" ], [ "Fatihi", "Saman", "" ], [ "Wang", "Yonghua", "" ], [ "Raza", "Khalid", "" ] ]
MicroRNAs (miRNAs) are small non-coding RNAs that control gene expression at the post-transcriptional level through complementary base pairing with the target mRNA, leading to mRNA degradation and blocking translation process. Any dysfunctions of these small regulatory molecules have been linked with the development and progression of several diseases. Therefore, it is necessary to reliably predict potential miRNA targets. A large number of computational prediction tools have been developed which provide a faster way to find putative miRNA targets, but at the same time their results are often inconsistent. Hence, finding a reliable, functional miRNA target is still a challenging task. Also, each tool is equipped with different algorithms, and it is difficult for the biologists to know which tool is the best choice for their study. This paper briefly describes fundamental of miRNA target prediction algorithms, discuss frequently used prediction tools, and further, the performance of frequently used prediction tools have been assessed using experimentally validated high confident mature miRNAs and their targets for two organisms Human and Drosophila Melanogaster. Both Drosophila Melanogaster and Human supported miRNA target prediction tools have been evaluated separately to find out best performing tool for each of these two organisms. In the human dataset, TargetScan showed the best results amongst the other predictors followed by the miRmap and microT, whereas in the D. Melanogaster dataset, MicroT tool showed the best performance followed by the TargetScan in the comparison of other tools.
q-bio/0407011
Tonau Nakai
Tonau Nakai, Kohji Hizume, Shige. H. Yoshimura, Kunio Takeyasu, and Kenichi Yoshikawa
Phase Transition in Reconstituted Chromatin
16 pages, 3 figures
Europhysics Letters, Vol. 69, Iss. 6, pp. 1024-1030 (2005)
10.1209/epl/i2004-10444-6
null
q-bio.SC
null
By observing reconstituted chromatin by fluorescence microscopy (FM) and atomic force microscopy (AFM), we found that the density of nucleosomes exhibits a bimodal profile, i.e., there is a large transition between the dense and dispersed states in reconstituted chromatin. Based on an analysis of the spatial distribution of nucleosome cores, we deduced an effective thermodynamic potential as a function of the nucleosome-nucleosome distance. This enabled us to interpret the folding transition of chromatin in terms of a first-order phase transition. This mechanism for the condensation of chromatin is discussed in terms of its biological significance.
[ { "created": "Wed, 7 Jul 2004 16:39:37 GMT", "version": "v1" }, { "created": "Sun, 11 Jul 2004 01:24:32 GMT", "version": "v2" }, { "created": "Fri, 10 Sep 2004 06:32:36 GMT", "version": "v3" } ]
2015-06-26
[ [ "Nakai", "Tonau", "" ], [ "Hizume", "Kohji", "" ], [ "Yoshimura", "Shige. H.", "" ], [ "Takeyasu", "Kunio", "" ], [ "Yoshikawa", "Kenichi", "" ] ]
By observing reconstituted chromatin by fluorescence microscopy (FM) and atomic force microscopy (AFM), we found that the density of nucleosomes exhibits a bimodal profile, i.e., there is a large transition between the dense and dispersed states in reconstituted chromatin. Based on an analysis of the spatial distribution of nucleosome cores, we deduced an effective thermodynamic potential as a function of the nucleosome-nucleosome distance. This enabled us to interpret the folding transition of chromatin in terms of a first-order phase transition. This mechanism for the condensation of chromatin is discussed in terms of its biological significance.
1309.0853
David Schneider Dr
David M. Schneider, Ayana B. Martins, Eduardo do Carmo and Marcus A.M. de Aguiar
Evolutionary consequences of assortativeness in haploid genotypes
null
null
null
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We study the evolution of allele frequencies in a large population where random mating is violated in a particular way that is related to recent works on speciation. Specifically, we consider non-random encounters in haploid organisms described by biallelic genes at two loci and assume that individuals whose alleles differ at both loci are incompatible. We show that evolution under these conditions leads to the disappearance of one of the alleles and substantially reduces the diversity of the population. The allele that disappears, and the other allele frequencies at equilibrium, depend only on their initial values, and so does the time to equilibration. However, certain combinations of allele frequencies remain constant during the process, revealing the emergence of strong correlation between the two loci promoted by the epistatic mechanism of incompatibility. We determine the geometrical structure of the haplotype frequency space and solve the dynamical equations, obtaining a simple rule to determine equilibrium solution from the initial conditions. We show that our results are equivalent to selection against double heterozigotes for a population of diploid individuals and discuss the relevance of our findings to speciation.
[ { "created": "Tue, 3 Sep 2013 22:07:54 GMT", "version": "v1" } ]
2013-09-05
[ [ "Schneider", "David M.", "" ], [ "Martins", "Ayana B.", "" ], [ "Carmo", "Eduardo do", "" ], [ "de Aguiar", "Marcus A. M.", "" ] ]
We study the evolution of allele frequencies in a large population where random mating is violated in a particular way that is related to recent works on speciation. Specifically, we consider non-random encounters in haploid organisms described by biallelic genes at two loci and assume that individuals whose alleles differ at both loci are incompatible. We show that evolution under these conditions leads to the disappearance of one of the alleles and substantially reduces the diversity of the population. The allele that disappears, and the other allele frequencies at equilibrium, depend only on their initial values, and so does the time to equilibration. However, certain combinations of allele frequencies remain constant during the process, revealing the emergence of strong correlation between the two loci promoted by the epistatic mechanism of incompatibility. We determine the geometrical structure of the haplotype frequency space and solve the dynamical equations, obtaining a simple rule to determine equilibrium solution from the initial conditions. We show that our results are equivalent to selection against double heterozigotes for a population of diploid individuals and discuss the relevance of our findings to speciation.
2205.04464
Feng Liang
Ngan Nguyen, Feng Liang, Dominik Engel, Ciril Bohak, Peter Wonka, Timo Ropinski, Ivan Viola
Differentiable Electron Microscopy Simulation: Methods and Applications for Visualization
Version 2: Page 10: Fix the rendering problem in in Line 12 of Algorithm 2 Page 12: Table 2: Fix wrong data entries in the table
null
null
null
q-bio.QM cs.CV cs.GR cs.LG eess.IV
http://creativecommons.org/licenses/by-sa/4.0/
We propose a new microscopy simulation system that can depict atomistic models in a micrograph visual style, similar to results of physical electron microscopy imaging. This system is scalable, able to represent simulation of electron microscopy of tens of viral particles and synthesizes the image faster than previous methods. On top of that, the simulator is differentiable, both its deterministic as well as stochastic stages that form signal and noise representations in the micrograph. This notable property has the capability for solving inverse problems by means of optimization and thus allows for generation of microscopy simulations using the parameter settings estimated from real data. We demonstrate this learning capability through two applications: (1) estimating the parameters of the modulation transfer function defining the detector properties of the simulated and real micrographs, and (2) denoising the real data based on parameters trained from the simulated examples. While current simulators do not support any parameter estimation due to their forward design, we show that the results obtained using estimated parameters are very similar to the results of real micrographs. Additionally, we evaluate the denoising capabilities of our approach and show that the results showed an improvement over state-of-the-art methods. Denoised micrographs exhibit less noise in the tilt-series tomography reconstructions, ultimately reducing the visual dominance of noise in direct volume rendering of microscopy tomograms.
[ { "created": "Sun, 8 May 2022 12:39:04 GMT", "version": "v1" }, { "created": "Thu, 26 May 2022 13:25:20 GMT", "version": "v2" } ]
2022-05-27
[ [ "Nguyen", "Ngan", "" ], [ "Liang", "Feng", "" ], [ "Engel", "Dominik", "" ], [ "Bohak", "Ciril", "" ], [ "Wonka", "Peter", "" ], [ "Ropinski", "Timo", "" ], [ "Viola", "Ivan", "" ] ]
We propose a new microscopy simulation system that can depict atomistic models in a micrograph visual style, similar to results of physical electron microscopy imaging. This system is scalable, able to represent simulation of electron microscopy of tens of viral particles and synthesizes the image faster than previous methods. On top of that, the simulator is differentiable, both its deterministic as well as stochastic stages that form signal and noise representations in the micrograph. This notable property has the capability for solving inverse problems by means of optimization and thus allows for generation of microscopy simulations using the parameter settings estimated from real data. We demonstrate this learning capability through two applications: (1) estimating the parameters of the modulation transfer function defining the detector properties of the simulated and real micrographs, and (2) denoising the real data based on parameters trained from the simulated examples. While current simulators do not support any parameter estimation due to their forward design, we show that the results obtained using estimated parameters are very similar to the results of real micrographs. Additionally, we evaluate the denoising capabilities of our approach and show that the results showed an improvement over state-of-the-art methods. Denoised micrographs exhibit less noise in the tilt-series tomography reconstructions, ultimately reducing the visual dominance of noise in direct volume rendering of microscopy tomograms.
2303.04215
Debayan Chakraborty
D. Thirumalai, Abhinaw Kumar, Debayan Chakraborty, John E. Straub, Mauro L. Mugnai
Conformational Fluctuations and Phases in Fused in Sarcoma (FUS) Low-Complexity Domain
null
null
null
null
q-bio.BM
http://creativecommons.org/licenses/by-nc-nd/4.0/
The well known phenomenon of phase separation in synthetic polymers and proteins has become a major topic in biophysics because it has been invoked as a mechanism of compartment formation in cells, without the need for membranes. Most of the coacervates (or condensates) are composed of Intrinsically Disordered Proteins (IDPs) or regions that are structureless, often in interaction with RNA and DNA. One of the more intriguing IDPs is the 526-residue RNA binding protein, Fused In Sarcoma (FUS), whose monomer conformations and condensates exhibit unusual behavior that are sensitive to solution conditions. By focussing principally on the N-terminus low complexity domain (FUS-LC comprising residues 1-214) and other truncations, we rationalize the findings of solid state NMR experiments, which show that FUS-LC adopts a non-polymorphic fibril (core-1) involving residues 39-95, flanked by fuzzy coats on both the N- and C- terminal ends. An alternate structure (core-2), whose free energy is comparable to core-1, emerges only in the truncated construct (residues 110-214). Both core-1 and core-2 fibrils are stabilized by a Tyrosine ladder as well as hydrophilic interactions. The morphologies (gels, fibrils, and glass-like behavior) adopted by FUS seem to vary greatly, depending on the experimental conditions. The effect of phosphorylation is site specific and affects the stability of the fibril depending on the sites that are phosphorylated. Many of the peculiarities associated with FUS may also be shared by other IDPs, such as TDP43 and hnRNPA2. We outline a number of problems for which there is no clear molecular understanding.
[ { "created": "Tue, 7 Mar 2023 20:12:06 GMT", "version": "v1" }, { "created": "Mon, 5 Jun 2023 03:24:08 GMT", "version": "v2" } ]
2023-06-06
[ [ "Thirumalai", "D.", "" ], [ "Kumar", "Abhinaw", "" ], [ "Chakraborty", "Debayan", "" ], [ "Straub", "John E.", "" ], [ "Mugnai", "Mauro L.", "" ] ]
The well known phenomenon of phase separation in synthetic polymers and proteins has become a major topic in biophysics because it has been invoked as a mechanism of compartment formation in cells, without the need for membranes. Most of the coacervates (or condensates) are composed of Intrinsically Disordered Proteins (IDPs) or regions that are structureless, often in interaction with RNA and DNA. One of the more intriguing IDPs is the 526-residue RNA binding protein, Fused In Sarcoma (FUS), whose monomer conformations and condensates exhibit unusual behavior that are sensitive to solution conditions. By focussing principally on the N-terminus low complexity domain (FUS-LC comprising residues 1-214) and other truncations, we rationalize the findings of solid state NMR experiments, which show that FUS-LC adopts a non-polymorphic fibril (core-1) involving residues 39-95, flanked by fuzzy coats on both the N- and C- terminal ends. An alternate structure (core-2), whose free energy is comparable to core-1, emerges only in the truncated construct (residues 110-214). Both core-1 and core-2 fibrils are stabilized by a Tyrosine ladder as well as hydrophilic interactions. The morphologies (gels, fibrils, and glass-like behavior) adopted by FUS seem to vary greatly, depending on the experimental conditions. The effect of phosphorylation is site specific and affects the stability of the fibril depending on the sites that are phosphorylated. Many of the peculiarities associated with FUS may also be shared by other IDPs, such as TDP43 and hnRNPA2. We outline a number of problems for which there is no clear molecular understanding.
2105.04042
Xiaobin Guan
Xiaobin Guan, Jing M. Chen, Huanfeng Shen, Xinyao Xie
A modified two-leaf light use efficiency model for improving the simulation of GPP using a radiation scalar
40 pages, 9 figures
null
null
null
q-bio.QM
http://creativecommons.org/licenses/by-nc-nd/4.0/
A TL-LUE model modified with a radiation scalar (RTL-LUE) is developed in this paper. The same maximum LUE is used for both sunlit and shaded leaves, and the difference in LUE between sunlit and shaded leaf groups is determined by the same radiation scalar. The RTL-LUE model was calibrated and validated at global 169 FLUXNET eddy covariance (EC) sites. Results indicate that although GPP simulations from the TL-LUE model match well with the EC GPP, the RTL-LUE model can further improve the simulation, for half-hour, 8-day, and yearly time scales. The TL-LUE model tends to overestimate GPP under conditions of high incoming photosynthetically active radiation (PAR), because the radiation-independent LUE values for both sunlit and shaded leaves are only suitable for low-medium (e.g. average) incoming PAR conditions. The errors in the RTL-LUE model show lower sensitivity to PAR, and its GPP simulations can better track the diurnal and seasonal variations of EC GPP by alleviating the overestimation at noon and growing seasons associated with the TL-LUE model. This study demonstrates the necessity of considering a radiation scalar in GPP simulation in LUE models even if the first-order effect of radiation is already considered through differentiating sunlit and shaded leaves. The simple RTL-LUE developed in this study would be a useful alternative to complex process-based models for global carbon cycle research.
[ { "created": "Sun, 9 May 2021 22:59:25 GMT", "version": "v1" } ]
2021-05-11
[ [ "Guan", "Xiaobin", "" ], [ "Chen", "Jing M.", "" ], [ "Shen", "Huanfeng", "" ], [ "Xie", "Xinyao", "" ] ]
A TL-LUE model modified with a radiation scalar (RTL-LUE) is developed in this paper. The same maximum LUE is used for both sunlit and shaded leaves, and the difference in LUE between sunlit and shaded leaf groups is determined by the same radiation scalar. The RTL-LUE model was calibrated and validated at global 169 FLUXNET eddy covariance (EC) sites. Results indicate that although GPP simulations from the TL-LUE model match well with the EC GPP, the RTL-LUE model can further improve the simulation, for half-hour, 8-day, and yearly time scales. The TL-LUE model tends to overestimate GPP under conditions of high incoming photosynthetically active radiation (PAR), because the radiation-independent LUE values for both sunlit and shaded leaves are only suitable for low-medium (e.g. average) incoming PAR conditions. The errors in the RTL-LUE model show lower sensitivity to PAR, and its GPP simulations can better track the diurnal and seasonal variations of EC GPP by alleviating the overestimation at noon and growing seasons associated with the TL-LUE model. This study demonstrates the necessity of considering a radiation scalar in GPP simulation in LUE models even if the first-order effect of radiation is already considered through differentiating sunlit and shaded leaves. The simple RTL-LUE developed in this study would be a useful alternative to complex process-based models for global carbon cycle research.
0904.3654
Yves Jouanneau
Luc Schuler (UCL), Sinead M. Ni Chadhain (BCAE), Yves Jouanneau (LCBM), Christine Meyer (LCBM), Gerben J. Zylstra (BCAE), Pascal Hols (UCL), Spiros N. Agathos (UCL)
Characterization of a novel angular dioxygenase from fluorene-degrading Sphingomonas sp. strain LB126
null
Applied and Environmental Microbiology 74 (2008) 1050-1057
null
null
q-bio.BM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
In this study, the genes involved in the initial attack on fluorene by Sphingomonas sp. LB126 were investigated. The ? and ? subunits of a dioxygenase complex (FlnA1A2), showing 63% and 51% sequence identity respectively, with the subunits of an angular dioxygenase from Gram-positive Terrabacter sp. DBF63, were identified. When overexpressed in E. coli, FlnA1A2 was responsible for the angular oxidation of fluorene, fluorenol, fluorenone, dibenzofuran and dibenzo-p-dioxin. Moreover, FlnA1A2 was able to oxidize polycyclic aromatic hydrocarbons and heteroaromatics, some of which were not oxidized by the dioxygenase from Terrabacter sp. DBF63. Quantification of resulting oxidation products showed that fluorene and phenanthrene were preferred substrates.
[ { "created": "Thu, 23 Apr 2009 10:54:24 GMT", "version": "v1" } ]
2009-04-24
[ [ "Schuler", "Luc", "", "UCL" ], [ "Chadhain", "Sinead M. Ni", "", "BCAE" ], [ "Jouanneau", "Yves", "", "LCBM" ], [ "Meyer", "Christine", "", "LCBM" ], [ "Zylstra", "Gerben J.", "", "BCAE" ], [ "Hols", "Pascal", "", "UCL" ], [ "Agathos", "Spiros N.", "", "UCL" ] ]
In this study, the genes involved in the initial attack on fluorene by Sphingomonas sp. LB126 were investigated. The ? and ? subunits of a dioxygenase complex (FlnA1A2), showing 63% and 51% sequence identity respectively, with the subunits of an angular dioxygenase from Gram-positive Terrabacter sp. DBF63, were identified. When overexpressed in E. coli, FlnA1A2 was responsible for the angular oxidation of fluorene, fluorenol, fluorenone, dibenzofuran and dibenzo-p-dioxin. Moreover, FlnA1A2 was able to oxidize polycyclic aromatic hydrocarbons and heteroaromatics, some of which were not oxidized by the dioxygenase from Terrabacter sp. DBF63. Quantification of resulting oxidation products showed that fluorene and phenanthrene were preferred substrates.
1410.2098
Philippe Terrier PhD
Philippe Terrier and Fabienne Reynard
Effect of age on the variability and stability of gait: a cross-sectional treadmill study in healthy individuals between 20 and 69 years of age
Author's version of an article published in Gait & Posture (2014)
null
10.1016/j.gaitpost.2014.09.024
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Falls during walking are a major health issue in the elderly population. Older individuals are usually more cautious, work more slowly, take shorter steps, and exhibit increased step-to-step variability. They often have impaired dynamic balance, which explains their increased falling risk. Those locomotor characteristics might be the result of the neurological/musculoskeletal degenerative processes typical of advanced age or of a decline that began earlier in life. In order to help determine between the two possibilities, we analyzed the relationship between age and gait features among 100 individuals aged 20-69. Trunk acceleration was measured during 5-min treadmill session using a 3D accelerometer. The following dependent variables were assessed: preferred walking speed, walk ratio (step length normalized by step frequency), gait instability (local dynamic stability, Lyapunov exponent method), and acceleration variability (root mean square (RMS)). Using age as a predictor, linear regressions were performed for each dependent variable. The results indicated that walking speed, walk ratio and trunk acceleration variability were not dependent on age (R2<2%). However, there was a significant quadratic association between age and gait instability in the mediolateral direction (R2=15%). We concluded that most of the typical gait features of older age do not result from a slow evolution over the life course. On the other hand, gait instability likely begins to increase at an accelerated rate as early as age 40-50. This finding support the premise that local dynamic stability is likely a relevant early indicator of falling risk.
[ { "created": "Tue, 7 Oct 2014 07:27:17 GMT", "version": "v1" }, { "created": "Fri, 10 Oct 2014 13:06:50 GMT", "version": "v2" } ]
2014-10-13
[ [ "Terrier", "Philippe", "" ], [ "Reynard", "Fabienne", "" ] ]
Falls during walking are a major health issue in the elderly population. Older individuals are usually more cautious, work more slowly, take shorter steps, and exhibit increased step-to-step variability. They often have impaired dynamic balance, which explains their increased falling risk. Those locomotor characteristics might be the result of the neurological/musculoskeletal degenerative processes typical of advanced age or of a decline that began earlier in life. In order to help determine between the two possibilities, we analyzed the relationship between age and gait features among 100 individuals aged 20-69. Trunk acceleration was measured during 5-min treadmill session using a 3D accelerometer. The following dependent variables were assessed: preferred walking speed, walk ratio (step length normalized by step frequency), gait instability (local dynamic stability, Lyapunov exponent method), and acceleration variability (root mean square (RMS)). Using age as a predictor, linear regressions were performed for each dependent variable. The results indicated that walking speed, walk ratio and trunk acceleration variability were not dependent on age (R2<2%). However, there was a significant quadratic association between age and gait instability in the mediolateral direction (R2=15%). We concluded that most of the typical gait features of older age do not result from a slow evolution over the life course. On the other hand, gait instability likely begins to increase at an accelerated rate as early as age 40-50. This finding support the premise that local dynamic stability is likely a relevant early indicator of falling risk.
2304.11863
Maksim Kitsak
Long MA and Piet Van Mieghem and Maksim Kitsak
Reporting delays: a widely neglected impact factor in COVID-19 forecasts
10 pages, 4 figures
null
null
null
q-bio.PE
http://creativecommons.org/licenses/by/4.0/
Epidemic forecasts are only as good as the accuracy of epidemic measurements. Is epidemic data, particularly COVID-19 epidemic data, clean and devoid of noise? Common sense implies the negative answer. While we cannot evaluate the cleanliness of the COVID-19 epidemic data in a holistic fashion, we can assess the data for the presence of reporting delays. In our work, through the analysis of the first COVID-19 wave, we find substantial reporting delays in the published epidemic data. Motivated by the desire to enhance epidemic forecasts, we develop a statistical framework to detect, uncover, and remove reporting delays in the infectious, recovered, and deceased epidemic time series. Our framework can uncover and analyze reporting delays in 8 regions significantly affected by the first COVID-19 wave. Further, we demonstrate that removing reporting delays from epidemic data using our statistical framework may decrease the error in epidemic forecasts. While our statistical framework can be used in combination with any epidemic forecast method that intakes infectious, recovered, and deceased data, to make a basic assessment, we employed the classical SIRD epidemic model. Our results indicate that the removal of reporting delays from the epidemic data may decrease the forecast error by up to 50. We anticipate that our framework will be indispensable in the analysis of novel COVID-19 strains and other existing or novel infectious diseases.
[ { "created": "Mon, 24 Apr 2023 07:18:38 GMT", "version": "v1" } ]
2023-04-25
[ [ "MA", "Long", "" ], [ "Van Mieghem", "Piet", "" ], [ "Kitsak", "Maksim", "" ] ]
Epidemic forecasts are only as good as the accuracy of epidemic measurements. Is epidemic data, particularly COVID-19 epidemic data, clean and devoid of noise? Common sense implies the negative answer. While we cannot evaluate the cleanliness of the COVID-19 epidemic data in a holistic fashion, we can assess the data for the presence of reporting delays. In our work, through the analysis of the first COVID-19 wave, we find substantial reporting delays in the published epidemic data. Motivated by the desire to enhance epidemic forecasts, we develop a statistical framework to detect, uncover, and remove reporting delays in the infectious, recovered, and deceased epidemic time series. Our framework can uncover and analyze reporting delays in 8 regions significantly affected by the first COVID-19 wave. Further, we demonstrate that removing reporting delays from epidemic data using our statistical framework may decrease the error in epidemic forecasts. While our statistical framework can be used in combination with any epidemic forecast method that intakes infectious, recovered, and deceased data, to make a basic assessment, we employed the classical SIRD epidemic model. Our results indicate that the removal of reporting delays from the epidemic data may decrease the forecast error by up to 50. We anticipate that our framework will be indispensable in the analysis of novel COVID-19 strains and other existing or novel infectious diseases.
2301.13387
Owen Queen
Cai W. John, Owen Queen, Wellington Muchero, and Scott J. Emrich
Deep Learning for Reference-Free Geolocation for Poplar Trees
Accepted at NeurIPS 2022 AI for Science Workshop
null
null
null
q-bio.GN cs.LG
http://creativecommons.org/licenses/by/4.0/
A core task in precision agriculture is the identification of climatic and ecological conditions that are advantageous for a given crop. The most succinct approach is geolocation, which is concerned with locating the native region of a given sample based on its genetic makeup. Here, we investigate genomic geolocation of Populus trichocarpa, or poplar, which has been identified by the US Department of Energy as a fast-rotation biofuel crop to be harvested nationwide. In particular, we approach geolocation from a reference-free perspective, circumventing the need for compute-intensive processes such as variant calling and alignment. Our model, MashNet, predicts latitude and longitude for poplar trees from randomly-sampled, unaligned sequence fragments. We show that our model performs comparably to Locator, a state-of-the-art method based on aligned whole-genome sequence data. MashNet achieves an error of 34.0 km^2 compared to Locator's 22.1 km^2. MashNet allows growers to quickly and efficiently identify natural varieties that will be most productive in their growth environment based on genotype. This paper explores geolocation for precision agriculture while providing a framework and data source for further development by the machine learning community.
[ { "created": "Tue, 31 Jan 2023 03:37:47 GMT", "version": "v1" } ]
2023-02-01
[ [ "John", "Cai W.", "" ], [ "Queen", "Owen", "" ], [ "Muchero", "Wellington", "" ], [ "Emrich", "Scott J.", "" ] ]
A core task in precision agriculture is the identification of climatic and ecological conditions that are advantageous for a given crop. The most succinct approach is geolocation, which is concerned with locating the native region of a given sample based on its genetic makeup. Here, we investigate genomic geolocation of Populus trichocarpa, or poplar, which has been identified by the US Department of Energy as a fast-rotation biofuel crop to be harvested nationwide. In particular, we approach geolocation from a reference-free perspective, circumventing the need for compute-intensive processes such as variant calling and alignment. Our model, MashNet, predicts latitude and longitude for poplar trees from randomly-sampled, unaligned sequence fragments. We show that our model performs comparably to Locator, a state-of-the-art method based on aligned whole-genome sequence data. MashNet achieves an error of 34.0 km^2 compared to Locator's 22.1 km^2. MashNet allows growers to quickly and efficiently identify natural varieties that will be most productive in their growth environment based on genotype. This paper explores geolocation for precision agriculture while providing a framework and data source for further development by the machine learning community.
q-bio/0401029
Laszlo Papp
S. Bumble
Toy Models and Statistical Mechanics of Subgraphs and Motifs of Genetic and Protein Networks
7 pages, 2 figures
null
null
null
q-bio.MN
null
Theoretical physics is used for a toy model of molecular biology to assess conditions that lead to the edge of chaos (EOC) in a network of biomolecules. Results can enhance our ability to understand complex diseases and their treatment or cure.
[ { "created": "Thu, 22 Jan 2004 07:47:03 GMT", "version": "v1" } ]
2007-05-23
[ [ "Bumble", "S.", "" ] ]
Theoretical physics is used for a toy model of molecular biology to assess conditions that lead to the edge of chaos (EOC) in a network of biomolecules. Results can enhance our ability to understand complex diseases and their treatment or cure.
2112.15252
Eleodor Nichita
Eleodor Nichita, Mary-Anne Pietrusiak, Fangli Xie, Peter Schwanke and Anjali Pandya
Modeling COVID-19 Transmission using IDSIM, an Epidemiological-Modelling Desktop App with Multi-Level Immunization Capabilities
28 pages, 8 figures
null
10.14745/ccdr.v48i10a05
null
q-bio.PE
http://creativecommons.org/licenses/by-nc-nd/4.0/
The COVID-19 pandemic has placed unprecedented demands on local public health units in Ontario, Canada, one of which was the need for in-house epidemiological-modelling capabilities. To address this need, Ontario Tech University and the Durham Region Health Department developed a native Windows desktop app that performs epidemiological modelling of infectious diseases. The app is an implementation of a multi-stratified compartmental epidemiological model that can accommodate multiple virus variants and levels of vaccination, as well as public health measures such as physical distancing, contact tracing followed by quarantine, and testing followed by isolation. This article presents the epidemiological model and epidemiological-simulation results obtained using the developed app. The simulations investigate the effects of different factors on COVID-19 transmission in Durham Region, including vaccination coverage, vaccine effectiveness, waning of vaccine-induced immunity, advent of the Omicron variant and effect of COVID-19 booster vaccines in reducing the number of infections and severe cases. Results indicate that, for the Delta variant, natural immunity, in addition to vaccination-induced immunity, is necessary to achieve herd immunity and that waning of vaccine-induced immunity lengthens the time necessary to reach herd immunity. In the absence of additional public health measures, a wave driven by the Omicron variant is predicted to pose significant public health challenges with infections predicted to peak in approximately two to three months, depending on the rate of administration of booster doses.
[ { "created": "Fri, 31 Dec 2021 00:32:23 GMT", "version": "v1" }, { "created": "Sat, 5 Mar 2022 02:37:17 GMT", "version": "v2" } ]
2022-11-10
[ [ "Nichita", "Eleodor", "" ], [ "Pietrusiak", "Mary-Anne", "" ], [ "Xie", "Fangli", "" ], [ "Schwanke", "Peter", "" ], [ "Pandya", "Anjali", "" ] ]
The COVID-19 pandemic has placed unprecedented demands on local public health units in Ontario, Canada, one of which was the need for in-house epidemiological-modelling capabilities. To address this need, Ontario Tech University and the Durham Region Health Department developed a native Windows desktop app that performs epidemiological modelling of infectious diseases. The app is an implementation of a multi-stratified compartmental epidemiological model that can accommodate multiple virus variants and levels of vaccination, as well as public health measures such as physical distancing, contact tracing followed by quarantine, and testing followed by isolation. This article presents the epidemiological model and epidemiological-simulation results obtained using the developed app. The simulations investigate the effects of different factors on COVID-19 transmission in Durham Region, including vaccination coverage, vaccine effectiveness, waning of vaccine-induced immunity, advent of the Omicron variant and effect of COVID-19 booster vaccines in reducing the number of infections and severe cases. Results indicate that, for the Delta variant, natural immunity, in addition to vaccination-induced immunity, is necessary to achieve herd immunity and that waning of vaccine-induced immunity lengthens the time necessary to reach herd immunity. In the absence of additional public health measures, a wave driven by the Omicron variant is predicted to pose significant public health challenges with infections predicted to peak in approximately two to three months, depending on the rate of administration of booster doses.
1604.02909
Benjamin Schott M.Sc.
Benjamin Schott, Johannes Stegmaier, Alexandre Arbaud, Markus Reischl, Ralf Mikut, Francis L\'evi
Robust Individual Circadian Parameter Estimation for Biosignal-based Personalisation of Cancer Chronotherapy
Conference Biosig 2016, Berlin
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
In cancer treatment, chemotherapy is administered according a constant schedule. The chronotherapy approach, considering chronobiological drug delivery, adapts the chemotherapy profile to the circadian rhythms of the human organism. This reduces toxicity effects and at the same time enhances efficiency of chemotherapy. To personalize cancer treatment, chemotherapy profiles have to be further adapted to individual patients. Therefore, we present a new model to represent cycle phenomena in circadian rhythms. The model enables a more precise modelling of the underlying circadian rhythms. In comparison with the standard model, our model delivers better results in all defined quality indices. The new model can be used to adapt the chemotherapy profile efficiently to individual patients. The adaption to individual patients contributes to the aim of personalizing cancer therapy.
[ { "created": "Mon, 11 Apr 2016 12:14:07 GMT", "version": "v1" } ]
2016-04-12
[ [ "Schott", "Benjamin", "" ], [ "Stegmaier", "Johannes", "" ], [ "Arbaud", "Alexandre", "" ], [ "Reischl", "Markus", "" ], [ "Mikut", "Ralf", "" ], [ "Lévi", "Francis", "" ] ]
In cancer treatment, chemotherapy is administered according a constant schedule. The chronotherapy approach, considering chronobiological drug delivery, adapts the chemotherapy profile to the circadian rhythms of the human organism. This reduces toxicity effects and at the same time enhances efficiency of chemotherapy. To personalize cancer treatment, chemotherapy profiles have to be further adapted to individual patients. Therefore, we present a new model to represent cycle phenomena in circadian rhythms. The model enables a more precise modelling of the underlying circadian rhythms. In comparison with the standard model, our model delivers better results in all defined quality indices. The new model can be used to adapt the chemotherapy profile efficiently to individual patients. The adaption to individual patients contributes to the aim of personalizing cancer therapy.
1910.04824
Nassim Versbraegen
Pieter Libin, Nassim Versbraegen, Ana B. Abecasis, Perpetua Gomes, Tom Lenaerts, Ann Now\'e
Towards a phylogenetic measure to quantify HIV incidence
Accepted at BNAIC 2019 (Benelux AI conference)
null
null
null
q-bio.PE
http://creativecommons.org/licenses/by/4.0/
One of the cornerstones in combating the HIV pandemic is being able to assess the current state and evolution of local HIV epidemics. This remains a complex problem, as many HIV infected individuals remain unaware of their infection status, leading to parts of HIV epidemics being undiagnosed and under-reported. To that end, we firstly present a method to learn epidemiological parameters from phylogenetic trees, using approximate Bayesian computation (ABC). The epidemiological parameters learned as a result of applying ABC are subsequently used in epidemiological models that aim to simulate a specific epidemic. Secondly, we continue by describing the development of a tree statistic, rooted in coalescent theory, which we use to relate epidemiological parameters to a phylogenetic tree, by using the simulated epidemics. We show that the presented tree statistic enables differentiation of epidemiological parameters, while only relying on phylogenetic trees, thus enabling the construction of new methods to ascertain the epidemiological state of an HIV epidemic. By using genetic data to infer epidemic sizes, we expect to enhance understanding of the portions of the infected population in which diagnosis rates are low.
[ { "created": "Thu, 10 Oct 2019 19:20:48 GMT", "version": "v1" }, { "created": "Tue, 22 Oct 2019 12:46:29 GMT", "version": "v2" }, { "created": "Wed, 23 Oct 2019 16:52:42 GMT", "version": "v3" } ]
2019-10-24
[ [ "Libin", "Pieter", "" ], [ "Versbraegen", "Nassim", "" ], [ "Abecasis", "Ana B.", "" ], [ "Gomes", "Perpetua", "" ], [ "Lenaerts", "Tom", "" ], [ "Nowé", "Ann", "" ] ]
One of the cornerstones in combating the HIV pandemic is being able to assess the current state and evolution of local HIV epidemics. This remains a complex problem, as many HIV infected individuals remain unaware of their infection status, leading to parts of HIV epidemics being undiagnosed and under-reported. To that end, we firstly present a method to learn epidemiological parameters from phylogenetic trees, using approximate Bayesian computation (ABC). The epidemiological parameters learned as a result of applying ABC are subsequently used in epidemiological models that aim to simulate a specific epidemic. Secondly, we continue by describing the development of a tree statistic, rooted in coalescent theory, which we use to relate epidemiological parameters to a phylogenetic tree, by using the simulated epidemics. We show that the presented tree statistic enables differentiation of epidemiological parameters, while only relying on phylogenetic trees, thus enabling the construction of new methods to ascertain the epidemiological state of an HIV epidemic. By using genetic data to infer epidemic sizes, we expect to enhance understanding of the portions of the infected population in which diagnosis rates are low.
2103.09954
Xiaochen Liu
Xiaochen Liu, Peter A. Robinson
Analytic model for feature maps in the primary visual cortex
28 pages, 15 figures
null
null
null
q-bio.NC physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
A compact analytic model is proposed to describe the combined orientation preference (OP) and ocular dominance (OD) features of simple cells and their layout in the primary visual cortex (V1). This model consists of three parts: (i) an anisotropic Laplacian (AL) operator that represents the local neural sensitivity to the orientation of visual inputs; (ii) a receptive field (RF) operator that models the anisotropic spatial RF that projects to a given V1 cell over scales of a few tenths of a millimeter and combines with the AL operator to give an overall OP operator; and (iii) a map that describes how the parameters of these operators vary approximately periodically across V1. The parameters of the proposed model maximize the neural response at a given OP with an OP tuning curve fitted to experimental results. It is found that the anisotropy of the AL operator does not significantly affect OP selectivity, which is dominated by the RF anisotropy, consistent with Hubel and Wiesel's original conclusions that orientation tuning width of V1 simple cell is inversely related to the elongation of its RF. A simplified OP-OD map is then constructed to describe the approximately periodic OP-OD structure of V1 in a compact form. Specifically, the map is approximated by retaining its dominant spatial Fourier coefficients, which are shown to suffice to reconstruct the overall structure of the OP-OD map. This representation is a suitable form to analyze observed maps compactly and to be used in neural field theory of V1. Application to independently simulated V1 structures shows that observed irregularities in the map correspond to a spread of dominant coefficients in a circle in Fourier space.
[ { "created": "Wed, 17 Mar 2021 23:56:15 GMT", "version": "v1" } ]
2021-03-19
[ [ "Liu", "Xiaochen", "" ], [ "Robinson", "Peter A.", "" ] ]
A compact analytic model is proposed to describe the combined orientation preference (OP) and ocular dominance (OD) features of simple cells and their layout in the primary visual cortex (V1). This model consists of three parts: (i) an anisotropic Laplacian (AL) operator that represents the local neural sensitivity to the orientation of visual inputs; (ii) a receptive field (RF) operator that models the anisotropic spatial RF that projects to a given V1 cell over scales of a few tenths of a millimeter and combines with the AL operator to give an overall OP operator; and (iii) a map that describes how the parameters of these operators vary approximately periodically across V1. The parameters of the proposed model maximize the neural response at a given OP with an OP tuning curve fitted to experimental results. It is found that the anisotropy of the AL operator does not significantly affect OP selectivity, which is dominated by the RF anisotropy, consistent with Hubel and Wiesel's original conclusions that orientation tuning width of V1 simple cell is inversely related to the elongation of its RF. A simplified OP-OD map is then constructed to describe the approximately periodic OP-OD structure of V1 in a compact form. Specifically, the map is approximated by retaining its dominant spatial Fourier coefficients, which are shown to suffice to reconstruct the overall structure of the OP-OD map. This representation is a suitable form to analyze observed maps compactly and to be used in neural field theory of V1. Application to independently simulated V1 structures shows that observed irregularities in the map correspond to a spread of dominant coefficients in a circle in Fourier space.
2204.05109
Peng Liu
Peng Liu and Yanyan Zheng
Temporal and spatial evolution of the distribution related to the number of COVID-19 pandemic
null
Physica A 603, 127837 (2022)
10.1016/j.physa.2022.127837
null
q-bio.PE physics.data-an physics.soc-ph stat.AP
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
This work systematically conducts a data analysis based on the numbers of both cumulative and daily confirmed COVID-19 cases and deaths in a time span through April 2020 to June 2022 for over 200 countries around the world. Such research feature aims to reveal the temporal and spatial evolution of the country-level distribution observed in COVID-19 pandemic, and obtains some interesting results as follows. (1) The distributions of the numbers for cumulative confirmed cases and deaths obey power-law in early stages of COVID-19 and stretched exponential function in subsequent course. (2) The distributions of the numbers for daily confirmed cases and deaths obey power-law in early and late stages of COVID-19 and stretched exponential function in middle stages. The crossover region between power-law and stretched exponential behaviour seems to depend on the evolution of "infection" event and "death" event. Such observation implies a kind of important symmetry related to the dynamics process of COVID-19 spreading. (3) The distributions of the normalized numbers for each metric show a temporal scaling behaviour in 2-year period, and are well described by stretched exponential function. The observation of power-law and stretched exponential behaviour in such country-level distributions suggests underlying intrinsic dynamics of a virus spreading process in human interconnected society. And thus it is important for understanding and mathematically modeling the COVID-19 pandemic.
[ { "created": "Fri, 8 Apr 2022 04:51:03 GMT", "version": "v1" }, { "created": "Tue, 23 Aug 2022 12:44:56 GMT", "version": "v2" } ]
2023-03-20
[ [ "Liu", "Peng", "" ], [ "Zheng", "Yanyan", "" ] ]
This work systematically conducts a data analysis based on the numbers of both cumulative and daily confirmed COVID-19 cases and deaths in a time span through April 2020 to June 2022 for over 200 countries around the world. Such research feature aims to reveal the temporal and spatial evolution of the country-level distribution observed in COVID-19 pandemic, and obtains some interesting results as follows. (1) The distributions of the numbers for cumulative confirmed cases and deaths obey power-law in early stages of COVID-19 and stretched exponential function in subsequent course. (2) The distributions of the numbers for daily confirmed cases and deaths obey power-law in early and late stages of COVID-19 and stretched exponential function in middle stages. The crossover region between power-law and stretched exponential behaviour seems to depend on the evolution of "infection" event and "death" event. Such observation implies a kind of important symmetry related to the dynamics process of COVID-19 spreading. (3) The distributions of the normalized numbers for each metric show a temporal scaling behaviour in 2-year period, and are well described by stretched exponential function. The observation of power-law and stretched exponential behaviour in such country-level distributions suggests underlying intrinsic dynamics of a virus spreading process in human interconnected society. And thus it is important for understanding and mathematically modeling the COVID-19 pandemic.
2005.06180
Marco Piangerelli
Andrea De Simone and Marco Piangerelli
The impact of undetected cases on tracking epidemics: the case of COVID-19
23 Pages, 10 Figures
Chaos, Solitons & Fractals, Volume 140, 2020, 110167
10.1016/j.chaos.2020.110167
null
q-bio.PE q-bio.QM stat.AP
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
One of the key indicators used in tracking the evolution of an infectious disease isthe reproduction number. This quantity is usually computed using the reportednumber of cases, but ignoring that many more individuals may be infected (e.g.asymptomatics). We propose a statistical procedure to quantify the impact of un-detected infectious cases on the determination of the effective reproduction number. Our approach is stochastic, data-driven and not relying on any compartmentalmodel. It is applied to the COVID-19 case in eight different countries and all Italianregions, showing that the effect of undetected cases leads to estimates of the effective reproduction numbers larger than those obtained only with the reported cases by factors ranging from two to ten. Our findings urge caution about deciding when and how to relax containment measures based on the value of the reproduction number.
[ { "created": "Wed, 13 May 2020 06:49:46 GMT", "version": "v1" } ]
2020-09-11
[ [ "De Simone", "Andrea", "" ], [ "Piangerelli", "Marco", "" ] ]
One of the key indicators used in tracking the evolution of an infectious disease isthe reproduction number. This quantity is usually computed using the reportednumber of cases, but ignoring that many more individuals may be infected (e.g.asymptomatics). We propose a statistical procedure to quantify the impact of un-detected infectious cases on the determination of the effective reproduction number. Our approach is stochastic, data-driven and not relying on any compartmentalmodel. It is applied to the COVID-19 case in eight different countries and all Italianregions, showing that the effect of undetected cases leads to estimates of the effective reproduction numbers larger than those obtained only with the reported cases by factors ranging from two to ten. Our findings urge caution about deciding when and how to relax containment measures based on the value of the reproduction number.
2003.05462
Armando G. M. Neves
Evandro P. de Souza and Armando G. M. Neves
Exact fixation probabilities for the Birth-Death and Death-Birth frequency-dependent Moran processes on the star graph
20 pages, 4 figures
null
null
null
q-bio.PE math.PR physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Broom and Rycht\'{a}\v{r} [Proc. R. Soc. A (2008) 464, 2609--2627] found an exact solution for the fixation probabilities of the Moran process for a structured population, in which the interaction structure among individuals is given by the so-called star graph, i.e. one central vertex and $n$ leaves, the leaves connecting only to the center. We generalize on their solution by allowing individuals' fitnesses to depend on the population frequency, and also by allowing a possible change in the order of reproduction and death draws. In their cited paper, Broom and Rycht\'{a}\v{r} considered the birth-death (BD) process, in which at each time step an individual is first drawn for reproduction and then an individual is selected for death. In the death-birth (DB) process, the order of the draws is reversed. It may be seen that the order of the draws makes a big difference in the fixation probabilities. Our solution method applies to both the BD and the DB cases. As expected, the exact formulae for the fixation probabilities are complicated. We will also illustrate them with some examples and provide results on the asymptotic behavior of the fixation probabilities when the number $n$ of leaves in the graph tends to infinity.
[ { "created": "Wed, 11 Mar 2020 18:01:40 GMT", "version": "v1" }, { "created": "Wed, 18 Mar 2020 13:41:17 GMT", "version": "v2" } ]
2020-03-19
[ [ "de Souza", "Evandro P.", "" ], [ "Neves", "Armando G. M.", "" ] ]
Broom and Rycht\'{a}\v{r} [Proc. R. Soc. A (2008) 464, 2609--2627] found an exact solution for the fixation probabilities of the Moran process for a structured population, in which the interaction structure among individuals is given by the so-called star graph, i.e. one central vertex and $n$ leaves, the leaves connecting only to the center. We generalize on their solution by allowing individuals' fitnesses to depend on the population frequency, and also by allowing a possible change in the order of reproduction and death draws. In their cited paper, Broom and Rycht\'{a}\v{r} considered the birth-death (BD) process, in which at each time step an individual is first drawn for reproduction and then an individual is selected for death. In the death-birth (DB) process, the order of the draws is reversed. It may be seen that the order of the draws makes a big difference in the fixation probabilities. Our solution method applies to both the BD and the DB cases. As expected, the exact formulae for the fixation probabilities are complicated. We will also illustrate them with some examples and provide results on the asymptotic behavior of the fixation probabilities when the number $n$ of leaves in the graph tends to infinity.
2008.07417
Kuang Liu
Kuang Liu, Alison E. Patteson, Edward J. Banigan, J. M. Schwarz
Dynamic nuclear structure emerges from chromatin crosslinks and motors
18 pages, 21 figures
Phys. Rev. Lett. 126, 158101 (2021)
10.1103/PhysRevLett.126.158101
null
q-bio.SC
http://creativecommons.org/licenses/by/4.0/
The cell nucleus houses the chromosomes, which are linked to a soft shell of lamin filaments. Experiments indicate that correlated chromosome dynamics and nuclear shape fluctuations arise from motor activity. To identify the physical mechanisms, we develop a model of an active, crosslinked Rouse chain bound to a polymeric shell. System-sized correlated motions occur but require both motor activity {\it and} crosslinks. Contractile motors, in particular, enhance chromosome dynamics by driving anomalous density fluctuations. Nuclear shape fluctuations depend on motor strength, crosslinking, and chromosome-lamina binding. Therefore, complex chromatin dynamics and nuclear shape emerge from a minimal, active chromosome-lamina system.
[ { "created": "Mon, 17 Aug 2020 15:42:01 GMT", "version": "v1" }, { "created": "Fri, 5 Mar 2021 21:10:13 GMT", "version": "v2" } ]
2021-04-21
[ [ "Liu", "Kuang", "" ], [ "Patteson", "Alison E.", "" ], [ "Banigan", "Edward J.", "" ], [ "Schwarz", "J. M.", "" ] ]
The cell nucleus houses the chromosomes, which are linked to a soft shell of lamin filaments. Experiments indicate that correlated chromosome dynamics and nuclear shape fluctuations arise from motor activity. To identify the physical mechanisms, we develop a model of an active, crosslinked Rouse chain bound to a polymeric shell. System-sized correlated motions occur but require both motor activity {\it and} crosslinks. Contractile motors, in particular, enhance chromosome dynamics by driving anomalous density fluctuations. Nuclear shape fluctuations depend on motor strength, crosslinking, and chromosome-lamina binding. Therefore, complex chromatin dynamics and nuclear shape emerge from a minimal, active chromosome-lamina system.
1403.4033
Markus Pagitz Dr
Markus Pagitz and Remco I. Leine
Continuum Model for Pressure Actuated Cellular Structures
11 pages, 9 figures
null
null
null
q-bio.QM cond-mat.soft physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Previous work introduced a lower-dimensional numerical model for the geometric nonlinear simulation and optimization of compliant pressure actuated cellular structures. This model takes into account hinge eccentricities as well as rotational and axial cell side springs. The aim of this article is twofold. First, previous work is extended by introducing an associated continuum model. This model is an exact geometric representation of a cellular structure and the basis for the spring stiffnesses and eccentricities of the numerical model. Second, the state variables of the continuum and numerical model are linked via discontinuous stress constraints on the one hand and spring stiffness, hinge eccentricities on the other hand. An efficient optimization algorithm that fully couples both sets of variables is presented. The performance of the proposed approach is demonstrated with the help of an examples.
[ { "created": "Mon, 17 Mar 2014 09:16:37 GMT", "version": "v1" }, { "created": "Mon, 27 Jul 2015 16:15:57 GMT", "version": "v2" }, { "created": "Wed, 5 Aug 2015 12:58:31 GMT", "version": "v3" }, { "created": "Fri, 28 Jul 2017 14:07:13 GMT", "version": "v4" } ]
2017-07-31
[ [ "Pagitz", "Markus", "" ], [ "Leine", "Remco I.", "" ] ]
Previous work introduced a lower-dimensional numerical model for the geometric nonlinear simulation and optimization of compliant pressure actuated cellular structures. This model takes into account hinge eccentricities as well as rotational and axial cell side springs. The aim of this article is twofold. First, previous work is extended by introducing an associated continuum model. This model is an exact geometric representation of a cellular structure and the basis for the spring stiffnesses and eccentricities of the numerical model. Second, the state variables of the continuum and numerical model are linked via discontinuous stress constraints on the one hand and spring stiffness, hinge eccentricities on the other hand. An efficient optimization algorithm that fully couples both sets of variables is presented. The performance of the proposed approach is demonstrated with the help of an examples.
1803.11270
Melanie Hopkins
Melanie J. Hopkins, David W. Bapst, Carl Simpson, Rachel C. M. Warnock
The inseparability of sampling and time and its influence on attempts to unify the molecular and fossil records
29 pages, 1 figure. All others contributed equally to this work
null
null
null
q-bio.PE
http://creativecommons.org/licenses/by-nc-sa/4.0/
The two major approaches to studying macroevolution in deep time are the fossil record and reconstructed relationships among extant taxa from molecular data. Results based on one approach sometimes conflict with those based on the other, with inconsistencies often attributed to inherent flaws of one (or the other) data source. What is unquestionable is that both the molecular and fossil records are limited reflections of the same evolutionary history, and any contradiction between them represents a failure of our existing models to explain the patterns we observe. Fortunately, the different limitations of each record provide an opportunity to test or calibrate the other, and new methodological developments leverage both records simultaneously. However, we must reckon with the distinct relationships between sampling and time in the fossil record and molecular phylogenies. These differences impact our recognition of baselines, and the analytical incorporation of age estimate uncertainty. These differences in perspective also influence how different practitioners view the past and evolutionary time itself, bearing important implications for the generality of methodological advancements, and differences in the philosophical approach to macroevolutionary theory across fields.
[ { "created": "Thu, 29 Mar 2018 22:08:09 GMT", "version": "v1" } ]
2018-04-02
[ [ "Hopkins", "Melanie J.", "" ], [ "Bapst", "David W.", "" ], [ "Simpson", "Carl", "" ], [ "Warnock", "Rachel C. M.", "" ] ]
The two major approaches to studying macroevolution in deep time are the fossil record and reconstructed relationships among extant taxa from molecular data. Results based on one approach sometimes conflict with those based on the other, with inconsistencies often attributed to inherent flaws of one (or the other) data source. What is unquestionable is that both the molecular and fossil records are limited reflections of the same evolutionary history, and any contradiction between them represents a failure of our existing models to explain the patterns we observe. Fortunately, the different limitations of each record provide an opportunity to test or calibrate the other, and new methodological developments leverage both records simultaneously. However, we must reckon with the distinct relationships between sampling and time in the fossil record and molecular phylogenies. These differences impact our recognition of baselines, and the analytical incorporation of age estimate uncertainty. These differences in perspective also influence how different practitioners view the past and evolutionary time itself, bearing important implications for the generality of methodological advancements, and differences in the philosophical approach to macroevolutionary theory across fields.
1602.00650
Romeil Sandhu
Romeil Sandhu, Sarah Tannenbaum, Daniel Diolaiti, Alberto Ambesi-Impiombato, Andrew Kung, and Allen Tannenbaum
A Quantitative Analysis of Localized Robustness of MYCN in Neuroblastoma
null
null
null
null
q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The amplification of the gene MYCN (V-myc myelocytomatosis viral-valeted oncogene, neuroblastoma derived) has been a well-documented indicator for poor prognosis in neuroblastoma, a childhood cancer. Unfortunately, there has been limited success in understanding MYCN functionality in the landscape of neuroblastoma and more importantly, given that MYCN has been deemed undruggable, the need to potentially illuminate key opportunities that indirectly target MYCN is of great interest. To this end, this work employs an emerging quantitative technique from network science, namely network curvature, to quantify the biological robustness of MYCN and its surrounding neighborhood. In particular, when amplified in Stage IV cancer, MYCN exhibits higher curvature (more robust) than those samples with under expressed MYCN levels. When examining the surrounding neighborhood, the above argument still holds for network curvature, but is lost when only analyzing differential expression - a common technique amongst oncologists and computational/molecular biologists. This finding points to the problem (and possible solution) of drug targeting in the context of complexity and indirect cell signaling affects that have often been obfuscated through traditional techniques.
[ { "created": "Sun, 13 Dec 2015 20:43:21 GMT", "version": "v1" } ]
2016-02-02
[ [ "Sandhu", "Romeil", "" ], [ "Tannenbaum", "Sarah", "" ], [ "Diolaiti", "Daniel", "" ], [ "Ambesi-Impiombato", "Alberto", "" ], [ "Kung", "Andrew", "" ], [ "Tannenbaum", "Allen", "" ] ]
The amplification of the gene MYCN (V-myc myelocytomatosis viral-valeted oncogene, neuroblastoma derived) has been a well-documented indicator for poor prognosis in neuroblastoma, a childhood cancer. Unfortunately, there has been limited success in understanding MYCN functionality in the landscape of neuroblastoma and more importantly, given that MYCN has been deemed undruggable, the need to potentially illuminate key opportunities that indirectly target MYCN is of great interest. To this end, this work employs an emerging quantitative technique from network science, namely network curvature, to quantify the biological robustness of MYCN and its surrounding neighborhood. In particular, when amplified in Stage IV cancer, MYCN exhibits higher curvature (more robust) than those samples with under expressed MYCN levels. When examining the surrounding neighborhood, the above argument still holds for network curvature, but is lost when only analyzing differential expression - a common technique amongst oncologists and computational/molecular biologists. This finding points to the problem (and possible solution) of drug targeting in the context of complexity and indirect cell signaling affects that have often been obfuscated through traditional techniques.
2010.00541
Ines Samengo Dr.
Nicol\'as Vattuone (1,2), Thomas Wachtler (1), In\'es Samengo (1) ((1) Department of Biology II, Ludwig-Maximilians-Universit\"at M\"unchen and Bernstein Center for Computational Neuroscience, Munich, Germany. (2) Department of Medical Physics and Instituto Balseiro, Centro At\'omico Bariloche, Argentina)
Perceptual spaces and their symmetries: The geometry of color space
(v1) 42 pages, 9 figures, 1 appendix. (v2) 47 pages, 10 figures, 1 appendix. (v3) Text modified after peer-review process. (v4) 34 pages, 1 appendix, 10 figures. Article accepted to be published at Mathematical Neuroscience and Applications (v5) ISSN added
Mathematical Neuroscience and Applications, Volume 1 (July 15, 2021) mna:7108
10.46298/mna.7108
null
q-bio.NC
http://creativecommons.org/licenses/by/4.0/
Our sensory systems transform external signals into neural activity, thereby producing percepts. We are endowed with an intuitive notion of similarity between percepts, that need not reflect the proximity of the physical properties of the corresponding external stimuli. The quantitative characterization of the geometry of percepts is therefore an endeavour that must be accomplished behaviorally. Here we characterized the geometry of color space using discrimination and matching experiments. We proposed an individually tailored metric defined in terms of the minimal chromatic difference required for each observer to differentiate a stimulus from its surround. Next, we showed that this perceptual metric was particularly adequate to describe two additional experiments, since it revealed the natural symmetry of perceptual computations. In one of the experiments, observers were required to discriminate two stimuli surrounded by a chromaticity that differed from that of the tested stimuli. In the perceptual coordinates, the change in discrimination thresholds induced by the surround followed a simple law that only depended on the perceptual distance between the surround and each of the two compared stimuli. In the other experiment, subjects were asked to match the color of two stimuli surrounded by two different chromaticities. Again, in the perceptual coordinates the induction effect produced by surrounds followed a simple, symmetric law. We conclude that the individually-tailored notion of perceptual distance reveals the symmetry of the laws governing perceptual computations.
[ { "created": "Thu, 1 Oct 2020 16:52:29 GMT", "version": "v1" }, { "created": "Sat, 16 Jan 2021 22:11:26 GMT", "version": "v2" }, { "created": "Wed, 19 May 2021 14:26:16 GMT", "version": "v3" }, { "created": "Wed, 14 Jul 2021 14:38:57 GMT", "version": "v4" }, { "created": "Fri, 13 Aug 2021 17:46:52 GMT", "version": "v5" } ]
2023-06-22
[ [ "Vattuone", "Nicolás", "" ], [ "Wachtler", "Thomas", "" ], [ "Samengo", "Inés", "" ] ]
Our sensory systems transform external signals into neural activity, thereby producing percepts. We are endowed with an intuitive notion of similarity between percepts, that need not reflect the proximity of the physical properties of the corresponding external stimuli. The quantitative characterization of the geometry of percepts is therefore an endeavour that must be accomplished behaviorally. Here we characterized the geometry of color space using discrimination and matching experiments. We proposed an individually tailored metric defined in terms of the minimal chromatic difference required for each observer to differentiate a stimulus from its surround. Next, we showed that this perceptual metric was particularly adequate to describe two additional experiments, since it revealed the natural symmetry of perceptual computations. In one of the experiments, observers were required to discriminate two stimuli surrounded by a chromaticity that differed from that of the tested stimuli. In the perceptual coordinates, the change in discrimination thresholds induced by the surround followed a simple law that only depended on the perceptual distance between the surround and each of the two compared stimuli. In the other experiment, subjects were asked to match the color of two stimuli surrounded by two different chromaticities. Again, in the perceptual coordinates the induction effect produced by surrounds followed a simple, symmetric law. We conclude that the individually-tailored notion of perceptual distance reveals the symmetry of the laws governing perceptual computations.
1909.09111
Leo Polansky
Leo Polansky, Ken B. Newman, Lara Mitchell
Improving inference for nonlinear state-space models of animal population dynamics given biased sequential life stage data
null
null
null
null
q-bio.PE q-bio.QM stat.ME
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
State-space models (SSMs) are a popular tool for modeling animal abundances. Inference difficulties for simple linear SSMs are well known, particularly in relation to simultaneous estimation of process and observation variances. Several remedies to overcome estimation problems have been studied for relatively simple SSMs, but whether these challenges and proposed remedies apply for nonlinear stage-structured SSMs, an important class of ecological models, is less well understood. Here we identify improvements for inference about nonlinear stage-structured SSMs fit with biased sequential life stage data. Theoretical analyses indicate parameter identifiability requires covariates in the state processes. Simulation studies show that plugging in externally estimated observation variances, as opposed to jointly estimating them with other parameters, reduces bias and standard error of estimates. In contrast to previous results for simple linear SSMs, strong confounding between jointly estimated process and observation variance parameters was not found in the models explored here. However, when observation variance was also estimated in the motivating case study, the resulting process variance estimates were implausibly low (near-zero). As SSMs are used in increasingly complex ways, understanding when inference can be expected to be successful, and what aids it, becomes more important. Our study illustrates (i) the need for relevant process covariates and (ii) the benefits of using externally estimated observation variances for inference for nonlinear stage-structured SSMs.
[ { "created": "Thu, 19 Sep 2019 17:38:24 GMT", "version": "v1" } ]
2019-09-20
[ [ "Polansky", "Leo", "" ], [ "Newman", "Ken B.", "" ], [ "Mitchell", "Lara", "" ] ]
State-space models (SSMs) are a popular tool for modeling animal abundances. Inference difficulties for simple linear SSMs are well known, particularly in relation to simultaneous estimation of process and observation variances. Several remedies to overcome estimation problems have been studied for relatively simple SSMs, but whether these challenges and proposed remedies apply for nonlinear stage-structured SSMs, an important class of ecological models, is less well understood. Here we identify improvements for inference about nonlinear stage-structured SSMs fit with biased sequential life stage data. Theoretical analyses indicate parameter identifiability requires covariates in the state processes. Simulation studies show that plugging in externally estimated observation variances, as opposed to jointly estimating them with other parameters, reduces bias and standard error of estimates. In contrast to previous results for simple linear SSMs, strong confounding between jointly estimated process and observation variance parameters was not found in the models explored here. However, when observation variance was also estimated in the motivating case study, the resulting process variance estimates were implausibly low (near-zero). As SSMs are used in increasingly complex ways, understanding when inference can be expected to be successful, and what aids it, becomes more important. Our study illustrates (i) the need for relevant process covariates and (ii) the benefits of using externally estimated observation variances for inference for nonlinear stage-structured SSMs.
2102.03910
Rossana Segreto
Rossana Segreto (1), Yuri Deigin (2), Kevin McCairn (3), Alejandro Sousa (4 and 5), Dan Sirotkin (6), Karl Sirotkin (6), Jonathan J. Couey (7), Adrian Jones (8), Daoyu Zhang (9) ((1) Department of Microbiology, University of Innsbruck, Austria, (2) Youthereum Genetics Inc., Toronto, Ontario, Canada, (3) Synaptek - Deep Learning Solutions, Gifu, Japan, (4) Regional Hospital of Monforte, Lugo, Spain, (5) University of Santiago de Compostela, Spain, (6) Karl Sirotkin LLC, Lake Mary, FL, USA, (7) University of Pittsburgh, School of Medicine, USA, (8) Independent bioinformatics researcher, (9) Independent genetics researcher)
An open debate on SARS-CoV-2's proximal origin is long overdue
null
null
null
null
q-bio.PE q-bio.GN
http://creativecommons.org/licenses/by/4.0/
There is a near consensus view that SARS-CoV-2 has a natural zoonotic origin; however, several characteristics of SARS-CoV-2 taken together are not easily explained by a natural zoonotic origin hypothesis. These include: a low rate of evolution in the early phase of transmission; the lack of evidence of recombination events; a high pre-existing binding to human ACE2; a novel furin cleavage site insert; a flat glycan binding domain of the spike protein which conflicts with host evasion survival patterns exhibited by other coronaviruses, and high human and mouse peptide mimicry. Initial assumptions against a laboratory origin, by contrast, have remained unsubstantiated. Furthermore, over a year after the initial outbreak in Wuhan, there is still no clear evidence of zoonotic transfer from a bat or intermediate species. Given the immense social and economic impact of this pandemic, identifying the true origin of SARS-CoV-2 is fundamental to preventing future outbreaks. The search for SARS-CoV-2's origin should include an open and unbiased inquiry into a possible laboratory origin.
[ { "created": "Sun, 7 Feb 2021 20:54:08 GMT", "version": "v1" }, { "created": "Tue, 9 Feb 2021 14:22:19 GMT", "version": "v2" } ]
2021-02-10
[ [ "Segreto", "Rossana", "", "4 and 5" ], [ "Deigin", "Yuri", "", "4 and 5" ], [ "McCairn", "Kevin", "", "4 and 5" ], [ "Sousa", "Alejandro", "", "4 and 5" ], [ "Sirotkin", "Dan", "" ], [ "Sirotkin", "Karl", "" ], [ "Couey", "Jonathan J.", "" ], [ "Jones", "Adrian", "" ], [ "Zhang", "Daoyu", "" ] ]
There is a near consensus view that SARS-CoV-2 has a natural zoonotic origin; however, several characteristics of SARS-CoV-2 taken together are not easily explained by a natural zoonotic origin hypothesis. These include: a low rate of evolution in the early phase of transmission; the lack of evidence of recombination events; a high pre-existing binding to human ACE2; a novel furin cleavage site insert; a flat glycan binding domain of the spike protein which conflicts with host evasion survival patterns exhibited by other coronaviruses, and high human and mouse peptide mimicry. Initial assumptions against a laboratory origin, by contrast, have remained unsubstantiated. Furthermore, over a year after the initial outbreak in Wuhan, there is still no clear evidence of zoonotic transfer from a bat or intermediate species. Given the immense social and economic impact of this pandemic, identifying the true origin of SARS-CoV-2 is fundamental to preventing future outbreaks. The search for SARS-CoV-2's origin should include an open and unbiased inquiry into a possible laboratory origin.
2102.02077
Pilar Cossio Dr.
Julian Giraldo-Barreto, Sebastian Ortiz, Erik H. Thiede, Karen Palacio-Rodriguez, Bob Carpenter, Alex H. Barnett, Pilar Cossio
A Bayesian approach for extracting free energy profiles from cryo-electron microscopy experiments using a path collective variable
null
null
null
null
q-bio.BM physics.bio-ph
http://creativecommons.org/licenses/by/4.0/
Cryo-electron microscopy (cryo-EM) extracts single-particle density projections of individual biomolecules. Although cryo-EM is widely used for 3D reconstruction, due to its single-particle nature, it has the potential to provide information about the biomolecule's conformational variability and underlying free energy landscape. However, treating cryo-EM as a single-molecule technique is challenging because of the low signal-to-noise ratio (SNR) in the individual particles. In this work, we developed the cryo-BIFE method, cryo-EM Bayesian Inference of Free Energy profiles, that uses a path collective variable to extract free energy profiles and their uncertainties from cryo-EM images. We tested the framework over several synthetic systems, where we controlled the imaging parameters and conditions. We found that for realistic cryo-EM environments and relevant biomolecular systems, it is possible to recover the underlying free energy, with the pose accuracy and SNR as crucial determinants. Then, we used the method to study the conformational transitions of a calcium-activated channel with real cryo-EM particles. Interestingly, we recover the most probable conformation (used to generate a high resolution reconstruction of the calcium-bound state), and we find two additional meta-stable states, one which corresponds to the calcium-unbound conformation. As expected for turnover transitions within the same sample, the activation barriers are of the order of a couple $k_BT$. Extracting free energy profiles from cryo-EM will enable a more complete characterization of the thermodynamic ensemble of biomolecules.
[ { "created": "Wed, 3 Feb 2021 14:22:28 GMT", "version": "v1" } ]
2021-02-04
[ [ "Giraldo-Barreto", "Julian", "" ], [ "Ortiz", "Sebastian", "" ], [ "Thiede", "Erik H.", "" ], [ "Palacio-Rodriguez", "Karen", "" ], [ "Carpenter", "Bob", "" ], [ "Barnett", "Alex H.", "" ], [ "Cossio", "Pilar", "" ] ]
Cryo-electron microscopy (cryo-EM) extracts single-particle density projections of individual biomolecules. Although cryo-EM is widely used for 3D reconstruction, due to its single-particle nature, it has the potential to provide information about the biomolecule's conformational variability and underlying free energy landscape. However, treating cryo-EM as a single-molecule technique is challenging because of the low signal-to-noise ratio (SNR) in the individual particles. In this work, we developed the cryo-BIFE method, cryo-EM Bayesian Inference of Free Energy profiles, that uses a path collective variable to extract free energy profiles and their uncertainties from cryo-EM images. We tested the framework over several synthetic systems, where we controlled the imaging parameters and conditions. We found that for realistic cryo-EM environments and relevant biomolecular systems, it is possible to recover the underlying free energy, with the pose accuracy and SNR as crucial determinants. Then, we used the method to study the conformational transitions of a calcium-activated channel with real cryo-EM particles. Interestingly, we recover the most probable conformation (used to generate a high resolution reconstruction of the calcium-bound state), and we find two additional meta-stable states, one which corresponds to the calcium-unbound conformation. As expected for turnover transitions within the same sample, the activation barriers are of the order of a couple $k_BT$. Extracting free energy profiles from cryo-EM will enable a more complete characterization of the thermodynamic ensemble of biomolecules.
2311.13337
Michiel Van Der Vlag
Michiel van der Vlag, Lionel Kusch, Alain Destexhe, Viktor Jirsa, Sandra Diaz-Pier and Jennifer S. Goldman
Vast TVB parameter space exploration: A Modular Framework for Accelerating the Multi-Scale Simulation of Human Brain Dynamics
21 pages, 9 figures
null
null
null
q-bio.NC cs.DC
http://creativecommons.org/licenses/by/4.0/
Global neural dynamics emerge from multi-scale brain structures, with neurons communicating through synapses to form transiently communicating networks. Network activity arises from intercellular communication that depends on the structure of connectome tracts and local connection, intracellular signalling cascades, and the extracellular molecular milieu that regulate cellular properties. Multi-scale models of brain function have begun to directly link the emergence of global brain dynamics in conscious and unconscious brain states to microscopic changes at the level of cells. In particular, AdEx mean-field models representing statistical properties of local populations of neurons have been connected following human tractography data to represent multi-scale neural phenomena in simulations using The Virtual Brain (TVB). While mean-field models can be run on personal computers for short simulations, or in parallel on high-performance computing (HPC) architectures for longer simulations and parameter scans, the computational burden remains high and vast areas of the parameter space remain unexplored. In this work, we report that our TVB-HPC framework, a modular set of methods used here to implement the TVB-AdEx model for GPU and analyze emergent dynamics, notably accelerates simulations and substantially reduces computational resource requirements. The framework preserves the stability and robustness of the TVB-AdEx model, thus facilitating finer resolution exploration of vast parameter spaces as well as longer simulations previously near impossible to perform. Given that simulation and analysis toolkits are made public as open-source packages, our framework serves as a template onto which other models can be easily scripted and personalized datasets can be used for studies of inter-individual variability of parameters related to functional brain dynamics.
[ { "created": "Wed, 22 Nov 2023 12:01:33 GMT", "version": "v1" } ]
2023-11-23
[ [ "van der Vlag", "Michiel", "" ], [ "Kusch", "Lionel", "" ], [ "Destexhe", "Alain", "" ], [ "Jirsa", "Viktor", "" ], [ "Diaz-Pier", "Sandra", "" ], [ "Goldman", "Jennifer S.", "" ] ]
Global neural dynamics emerge from multi-scale brain structures, with neurons communicating through synapses to form transiently communicating networks. Network activity arises from intercellular communication that depends on the structure of connectome tracts and local connection, intracellular signalling cascades, and the extracellular molecular milieu that regulate cellular properties. Multi-scale models of brain function have begun to directly link the emergence of global brain dynamics in conscious and unconscious brain states to microscopic changes at the level of cells. In particular, AdEx mean-field models representing statistical properties of local populations of neurons have been connected following human tractography data to represent multi-scale neural phenomena in simulations using The Virtual Brain (TVB). While mean-field models can be run on personal computers for short simulations, or in parallel on high-performance computing (HPC) architectures for longer simulations and parameter scans, the computational burden remains high and vast areas of the parameter space remain unexplored. In this work, we report that our TVB-HPC framework, a modular set of methods used here to implement the TVB-AdEx model for GPU and analyze emergent dynamics, notably accelerates simulations and substantially reduces computational resource requirements. The framework preserves the stability and robustness of the TVB-AdEx model, thus facilitating finer resolution exploration of vast parameter spaces as well as longer simulations previously near impossible to perform. Given that simulation and analysis toolkits are made public as open-source packages, our framework serves as a template onto which other models can be easily scripted and personalized datasets can be used for studies of inter-individual variability of parameters related to functional brain dynamics.
2004.03251
Steffen Eikenberry
Steffen E. Eikenberry, Marina Mancuso, Enahoro Iboi, Tin Phan, Keenan Eikenberry, Yang Kuang, Eric Kostelich, Abba B. Gumel
To mask or not to mask: Modeling the potential for face mask use by the general public to curtail the COVID-19 pandemic
20 pages, 9 figures
Infectious Disease Modelling. 5 (2020) 248-255
10.1016/j.idm.2020.04.001
null
q-bio.PE q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Face mask use by the general public for limiting the spread of the COVID-19 pandemic is controversial, though increasingly recommended, and the potential of this intervention is not well understood. We develop a compartmental model for assessing the community-wide impact of mask use by the general, asymptomatic public, a portion of which may be asymptomatically infectious. Model simulations, using data relevant to COVID-19 dynamics in the US states of New York and Washington, suggest that broad adoption of even relatively ineffective face masks may meaningfully reduce community transmission of COVID-19 and decrease peak hospitalizations and deaths. Moreover, mask use decreases the effective transmission rate in nearly linear proportion to the product of mask effectiveness (as a fraction of potentially infectious contacts blocked) and coverage rate (as a fraction of the general population), while the impact on epidemiologic outcomes (death, hospitalizations) is highly nonlinear, indicating masks could synergize with other non-pharmaceutical measures. Masks are found to be useful with respect to both preventing illness in healthy persons and preventing asymptomatic transmission. Hypothetical mask adoption scenarios suggest that immediate near universal (80%) adoption of moderately (50%) effective masks could prevent on the order of 17--45% of projected deaths over two months in New York, while decreasing the peak daily death rate by 34--58%, absent other changes in epidemic dynamics. Our results suggest use of face masks by the general public is potentially of high value in curtailing community transmission and the burden of the pandemic. The community-wide benefits are likely to be greatest when face masks are used in conjunction with other non-pharmaceutical practices (such as social-distancing), and when adoption is nearly universal (nation-wide) and compliance is high.
[ { "created": "Tue, 7 Apr 2020 10:41:30 GMT", "version": "v1" } ]
2020-05-05
[ [ "Eikenberry", "Steffen E.", "" ], [ "Mancuso", "Marina", "" ], [ "Iboi", "Enahoro", "" ], [ "Phan", "Tin", "" ], [ "Eikenberry", "Keenan", "" ], [ "Kuang", "Yang", "" ], [ "Kostelich", "Eric", "" ], [ "Gumel", "Abba B.", "" ] ]
Face mask use by the general public for limiting the spread of the COVID-19 pandemic is controversial, though increasingly recommended, and the potential of this intervention is not well understood. We develop a compartmental model for assessing the community-wide impact of mask use by the general, asymptomatic public, a portion of which may be asymptomatically infectious. Model simulations, using data relevant to COVID-19 dynamics in the US states of New York and Washington, suggest that broad adoption of even relatively ineffective face masks may meaningfully reduce community transmission of COVID-19 and decrease peak hospitalizations and deaths. Moreover, mask use decreases the effective transmission rate in nearly linear proportion to the product of mask effectiveness (as a fraction of potentially infectious contacts blocked) and coverage rate (as a fraction of the general population), while the impact on epidemiologic outcomes (death, hospitalizations) is highly nonlinear, indicating masks could synergize with other non-pharmaceutical measures. Masks are found to be useful with respect to both preventing illness in healthy persons and preventing asymptomatic transmission. Hypothetical mask adoption scenarios suggest that immediate near universal (80%) adoption of moderately (50%) effective masks could prevent on the order of 17--45% of projected deaths over two months in New York, while decreasing the peak daily death rate by 34--58%, absent other changes in epidemic dynamics. Our results suggest use of face masks by the general public is potentially of high value in curtailing community transmission and the burden of the pandemic. The community-wide benefits are likely to be greatest when face masks are used in conjunction with other non-pharmaceutical practices (such as social-distancing), and when adoption is nearly universal (nation-wide) and compliance is high.
1702.05065
Gonzalo Hernandez Hernandez
Gonzalo Hernandez-Hernandez, Jesse Myers, Enric Alvarez-Lacalle, Yohannes Shiferaw
Nonlinear signaling on biological networks: the role of stochasticity and spectral clustering
30 pages, 12 figures
null
10.1103/PhysRevE.95.032313
null
q-bio.MN physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Signal transduction within biological cells is governed by networks of interacting proteins. Communication between these proteins is mediated by signaling molecules which bind to receptors and induce stochastic transitions between different conformational states. Signaling is typically a cooperative process which requires the occurrence of multiple binding events so that reaction rates have a nonlinear dependence on the amount of signaling molecule. It is this nonlinearity that endows biological signaling networks with robust switch-like properties which are critical to their biological function. In this study, we investigate how the properties of these signaling systems depend on the network architecture. Our main result is that these nonlinear networks exhibit bistability where the network activity can switch between states that correspond to a low and high activity level. We show that this bistable regime emerges at a critical coupling strength that is determined by the spectral structure of the network. In particular, the set of nodes that correspond to large components of the leading eigenvector of the adjacency matrix determines the onset of bistability. Above this transition, the eigenvectors of the adjacency matrix determine a hierarchy of clusters, defined by its spectral properties, which are activated sequentially with increasing network activity. We argue further that the onset of bistability occurs either continuously or discontinuously depending upon whether the leading eigenvector is localized or delocalized. Finally, we show that at low network coupling stochastic transitions to the active branch are also driven by the set of nodes that contribute more strongly to the leading eigenvector.
[ { "created": "Thu, 16 Feb 2017 17:48:18 GMT", "version": "v1" } ]
2017-04-05
[ [ "Hernandez-Hernandez", "Gonzalo", "" ], [ "Myers", "Jesse", "" ], [ "Alvarez-Lacalle", "Enric", "" ], [ "Shiferaw", "Yohannes", "" ] ]
Signal transduction within biological cells is governed by networks of interacting proteins. Communication between these proteins is mediated by signaling molecules which bind to receptors and induce stochastic transitions between different conformational states. Signaling is typically a cooperative process which requires the occurrence of multiple binding events so that reaction rates have a nonlinear dependence on the amount of signaling molecule. It is this nonlinearity that endows biological signaling networks with robust switch-like properties which are critical to their biological function. In this study, we investigate how the properties of these signaling systems depend on the network architecture. Our main result is that these nonlinear networks exhibit bistability where the network activity can switch between states that correspond to a low and high activity level. We show that this bistable regime emerges at a critical coupling strength that is determined by the spectral structure of the network. In particular, the set of nodes that correspond to large components of the leading eigenvector of the adjacency matrix determines the onset of bistability. Above this transition, the eigenvectors of the adjacency matrix determine a hierarchy of clusters, defined by its spectral properties, which are activated sequentially with increasing network activity. We argue further that the onset of bistability occurs either continuously or discontinuously depending upon whether the leading eigenvector is localized or delocalized. Finally, we show that at low network coupling stochastic transitions to the active branch are also driven by the set of nodes that contribute more strongly to the leading eigenvector.
1111.0097
Michael Famulare
Michael Famulare and Adrienne Fairhall
Adaptive probabilistic neural coding from deterministic spiking neurons: analysis from first principles
v2: revised/expanded results/discussion regarding contrast gain control. 51 pages, 12 figures
null
null
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
A neuron transforms its input into output spikes, and this transformation is the basic unit of computation in the nervous system. The spiking response of the neuron to a complex, time-varying input can be predicted from the detailed biophysical properties of the neuron, modeled as a deterministic nonlinear dynamical system. In the tradition of neural coding, however, a neuron or neural system is treated as a black box and statistical techniques are used to identify functional models of its encoding properties. The goal of this work is to connect the mechanistic, biophysical approach to neuronal function to a description in terms of a coding model. Building from preceding work at the single neuron level, we develop from first principles a mathematical theory mapping the relationships between two simple but powerful classes of models: deterministic integrate-and-fire dynamical models and linear-nonlinear coding models. To do so, we develop an approach for studying a nonlinear dynamical system by conditioning on an observed linear estimator. We derive asymptotic closed-form expressions for the linear filter and estimates for the nonlinear decision function of the linear/nonlinear model. We analytically derive the dependence of the linear filter on the input statistics and we show how deterministic nonlinear dynamics can be used to modulate the properties of a probabilistic code. We demonstrate that integrate-and-fire models without any additional currents can perform perfect contrast gain control, a sophisticated adaptive computation, and we identify the general dynamical principles responsible. We then design from first principles a nonlinear dynamical model that implements gain control. While we focus on the integrate-and-fire models for tractability, the framework we propose to relate LN and dynamical models generalizes naturally to more complex biophysical models.
[ { "created": "Tue, 1 Nov 2011 00:57:39 GMT", "version": "v1" }, { "created": "Thu, 15 Dec 2011 22:13:03 GMT", "version": "v2" } ]
2011-12-19
[ [ "Famulare", "Michael", "" ], [ "Fairhall", "Adrienne", "" ] ]
A neuron transforms its input into output spikes, and this transformation is the basic unit of computation in the nervous system. The spiking response of the neuron to a complex, time-varying input can be predicted from the detailed biophysical properties of the neuron, modeled as a deterministic nonlinear dynamical system. In the tradition of neural coding, however, a neuron or neural system is treated as a black box and statistical techniques are used to identify functional models of its encoding properties. The goal of this work is to connect the mechanistic, biophysical approach to neuronal function to a description in terms of a coding model. Building from preceding work at the single neuron level, we develop from first principles a mathematical theory mapping the relationships between two simple but powerful classes of models: deterministic integrate-and-fire dynamical models and linear-nonlinear coding models. To do so, we develop an approach for studying a nonlinear dynamical system by conditioning on an observed linear estimator. We derive asymptotic closed-form expressions for the linear filter and estimates for the nonlinear decision function of the linear/nonlinear model. We analytically derive the dependence of the linear filter on the input statistics and we show how deterministic nonlinear dynamics can be used to modulate the properties of a probabilistic code. We demonstrate that integrate-and-fire models without any additional currents can perform perfect contrast gain control, a sophisticated adaptive computation, and we identify the general dynamical principles responsible. We then design from first principles a nonlinear dynamical model that implements gain control. While we focus on the integrate-and-fire models for tractability, the framework we propose to relate LN and dynamical models generalizes naturally to more complex biophysical models.
2306.10553
Seemi Tasnim Alam
Bushra Rahman Eipa, Md Riadul Islam, Raquiba Sultana, Seemi Tasnim Alam, Tanaj Mehjabin, Nohor Noon Haque Bushra, S M Moniruzzaman, Md Ifrat Hossain, Shamia Naz Rashna, Md Aftab Uddin
Determination of the antibiotic susceptibility pattern of Gram positive bacteria causing UTI in Dhaka Bangladesh
16 pages, 4 figures
null
null
SUB_MBO_2301
q-bio.QM q-bio.BM
http://creativecommons.org/licenses/by-sa/4.0/
Urinary Tract Infection (UTIs) is referred as one of the most common infection in medical sectors worldwide and antimicrobial resistance (AMR) is also a global threat to human that is related with many diseases. As antibiotics used for the treatment of infectious diseases, the rate of resistance is increasing day by day. Gram positive pathogens are commonly found in urine sample collected from different age groups of people, associated with UTI. The study was conducted in a diagnostic center in Dhaka, Bangladesh with total 1308 urine samples from November 2021 to April 2022. Gram positive pathogens were isolated and antimicrobial susceptibility tests were done. From total 121 samples of gram positive bacteria the highest prevalence rate of UTIs was found in age group of 21-30 year. Mostly Enterococcus spp. (33.05%) Staphylococcus aureus (27.27%), Streptococcus spp. (20.66%), Beta-hemolytic streptococci (19.00%) were found as causative agents of UTI compared to others. The majority of isolates have been detected as multi-drug resistant (MDR). The higher percentage of antibiotic resistance were found against Azithromycin (75%), and cefixime (64.46%). This research focused on the regular basis of surveillance for the Gram-positive bacteria antibiotic susceptibility to increase awareness about the use of proper antibiotic thus minimize the drug resistance.
[ { "created": "Sun, 18 Jun 2023 13:26:52 GMT", "version": "v1" } ]
2023-06-21
[ [ "Eipa", "Bushra Rahman", "" ], [ "Islam", "Md Riadul", "" ], [ "Sultana", "Raquiba", "" ], [ "Alam", "Seemi Tasnim", "" ], [ "Mehjabin", "Tanaj", "" ], [ "Bushra", "Nohor Noon Haque", "" ], [ "Moniruzzaman", "S M", "" ], [ "Hossain", "Md Ifrat", "" ], [ "Rashna", "Shamia Naz", "" ], [ "Uddin", "Md Aftab", "" ] ]
Urinary Tract Infection (UTIs) is referred as one of the most common infection in medical sectors worldwide and antimicrobial resistance (AMR) is also a global threat to human that is related with many diseases. As antibiotics used for the treatment of infectious diseases, the rate of resistance is increasing day by day. Gram positive pathogens are commonly found in urine sample collected from different age groups of people, associated with UTI. The study was conducted in a diagnostic center in Dhaka, Bangladesh with total 1308 urine samples from November 2021 to April 2022. Gram positive pathogens were isolated and antimicrobial susceptibility tests were done. From total 121 samples of gram positive bacteria the highest prevalence rate of UTIs was found in age group of 21-30 year. Mostly Enterococcus spp. (33.05%) Staphylococcus aureus (27.27%), Streptococcus spp. (20.66%), Beta-hemolytic streptococci (19.00%) were found as causative agents of UTI compared to others. The majority of isolates have been detected as multi-drug resistant (MDR). The higher percentage of antibiotic resistance were found against Azithromycin (75%), and cefixime (64.46%). This research focused on the regular basis of surveillance for the Gram-positive bacteria antibiotic susceptibility to increase awareness about the use of proper antibiotic thus minimize the drug resistance.
0811.3515
Noa Sela
Galit Lev-Maor, Oren Ram, Eddo Kim, Noa Sela, Amir Goren, Erez Y Levanon, Gil Ast
Intronic Alus Influence Alternative Splicing
null
PLoS Genet 2008 4(9): e1000204
null
null
q-bio.GN q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Examination of the human transcriptome reveals higher levels of RNA editing than in any other organism tested to date. This is indicative of extensive double-stranded RNA (dsRNA) formation within the human transcriptome. Most of the editing sites are located in the primate-specific retrotransposed element called Alu. A large fraction of Alus are found in intronic sequences, implying extensive Alu-Alu dsRNA formation in mRNA precursors. Yet, the effect of these intronic Alus on splicing of the flanking exons is largely unknown. Here, we show that more Alus flank alternatively spliced exons than constitutively spliced ones; this is especially notable for those exons that have changed their mode of splicing from constitutive to alternative during human evolution. This implies that Alu insertions may change the mode of splicing of the flanking exons. Indeed, we demonstrate experimentally that two Alu elements that were inserted into an intron in opposite orientation undergo base-pairing, as evident by RNA editing, and affect the splicing patterns of a downstream exon, shifting it from constitutive to alternative. Our results indicate the importance of intronic Alus in influencing the splicing of flanking exons, further emphasizing the role of Alus in shaping of the human transcriptome
[ { "created": "Fri, 21 Nov 2008 11:07:47 GMT", "version": "v1" } ]
2008-11-24
[ [ "Lev-Maor", "Galit", "" ], [ "Ram", "Oren", "" ], [ "Kim", "Eddo", "" ], [ "Sela", "Noa", "" ], [ "Goren", "Amir", "" ], [ "Levanon", "Erez Y", "" ], [ "Ast", "Gil", "" ] ]
Examination of the human transcriptome reveals higher levels of RNA editing than in any other organism tested to date. This is indicative of extensive double-stranded RNA (dsRNA) formation within the human transcriptome. Most of the editing sites are located in the primate-specific retrotransposed element called Alu. A large fraction of Alus are found in intronic sequences, implying extensive Alu-Alu dsRNA formation in mRNA precursors. Yet, the effect of these intronic Alus on splicing of the flanking exons is largely unknown. Here, we show that more Alus flank alternatively spliced exons than constitutively spliced ones; this is especially notable for those exons that have changed their mode of splicing from constitutive to alternative during human evolution. This implies that Alu insertions may change the mode of splicing of the flanking exons. Indeed, we demonstrate experimentally that two Alu elements that were inserted into an intron in opposite orientation undergo base-pairing, as evident by RNA editing, and affect the splicing patterns of a downstream exon, shifting it from constitutive to alternative. Our results indicate the importance of intronic Alus in influencing the splicing of flanking exons, further emphasizing the role of Alus in shaping of the human transcriptome
q-bio/0311003
Alexey Mazur K.
Dimitri E. Kamashev and Alexey K. Mazur
Relaxation of DNA curvature by single stranded breaks: Simulations and experiments
13 two-column pages, 9 integrated eps plates, RevTeX4
null
null
null
q-bio.BM cond-mat.soft physics.bio-ph
null
The recently proposed compressed backbone theory suggested that the intrinsic curvature in DNA can result from a geometric mismatch between the specific backbone length and optimal base stacking orientations. It predicted that the curvature in A-tract repeats can be relaxed by introducing single stranded breaks (nicks). This effect has not been tested earlier and it would not be accounted for by alternative models of DNA bending. Here the curvature in a specifically designed series of nicked DNA fragments is tested experimentally by gel mobility assays and, simultaneously, by free molecular dynamics simulations. Single stranded breaks produce virtually no effect upon the gel mobility of the random sequence DNA. In contrast, nicked A-tract fragments reveal a regular modulation of curvature depending upon the position of the strand break with respect to the overall bend. Maximal relaxation is observed when nicks occur inside A-tracts. The results are partially reproduced in simulations. Analysis of computed curved DNA conformations reveals a group of sugar atoms that exhibit reduced backbone length within A-tracts, which can correspond to the compression hypothesis.
[ { "created": "Thu, 6 Nov 2003 15:08:55 GMT", "version": "v1" } ]
2007-05-23
[ [ "Kamashev", "Dimitri E.", "" ], [ "Mazur", "Alexey K.", "" ] ]
The recently proposed compressed backbone theory suggested that the intrinsic curvature in DNA can result from a geometric mismatch between the specific backbone length and optimal base stacking orientations. It predicted that the curvature in A-tract repeats can be relaxed by introducing single stranded breaks (nicks). This effect has not been tested earlier and it would not be accounted for by alternative models of DNA bending. Here the curvature in a specifically designed series of nicked DNA fragments is tested experimentally by gel mobility assays and, simultaneously, by free molecular dynamics simulations. Single stranded breaks produce virtually no effect upon the gel mobility of the random sequence DNA. In contrast, nicked A-tract fragments reveal a regular modulation of curvature depending upon the position of the strand break with respect to the overall bend. Maximal relaxation is observed when nicks occur inside A-tracts. The results are partially reproduced in simulations. Analysis of computed curved DNA conformations reveals a group of sugar atoms that exhibit reduced backbone length within A-tracts, which can correspond to the compression hypothesis.
1606.06668
Adam Porter
Adam H. Porter, Norman A. Johnson and Alexander Y. Tulchinsky
Competitive binding of transcription factors drives Mendelian dominance in regulatory genetic pathways
3.3 Mb file. This revision includes a more thorough analysis of dominance propagation and the effects of genetic background in the 3-locus model
null
null
null
q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We report a new mechanism for allelic dominance in regulatory genetic interactions that we call binding dominance. We investigated a biophysical model of gene regulation, where the fractional occupancy of a transcription factor (TF) on the cis-regulated promoter site it binds to is determined by binding energy (-{\Delta}G) and TF dosage. Transcription and gene expression proceed when the TF is bound to the promoter. In diploids, individuals may be heterozygous at the cis-site, at the TF's coding region, or at the TF's own promoter, which determines allele-specific dosage. We find that when the TF's coding region is heterozygous, TF alleles compete for occupancy at the cis sites and the tighter-binding TF is dominant in proportion to the difference in binding strength. When the TF's own promoter is heterozygous, the TF produced at the higher dosage is also dominant. Cis-site heterozygotes have additive expression and therefore codominant phenotypes. Binding dominance propagates to affect the expression of downstream loci and it is sensitive in both magnitude and direction to genetic background, but its detectability often attenuates. While binding dominance is inevitable at the molecular level, it is difficult to detect in the phenotype under some biophysical conditions, more so when TF dosage is high and allele-specific binding affinities are similar. A body of empirical research on the biophysics of TF binding demonstrates the plausibility of this mechanism of dominance, but studies of gene expression under competitive binding in heterozygotes in a diversity of genetic backgrounds are needed.
[ { "created": "Tue, 21 Jun 2016 17:18:38 GMT", "version": "v1" }, { "created": "Sat, 27 Aug 2016 00:49:53 GMT", "version": "v2" } ]
2016-08-30
[ [ "Porter", "Adam H.", "" ], [ "Johnson", "Norman A.", "" ], [ "Tulchinsky", "Alexander Y.", "" ] ]
We report a new mechanism for allelic dominance in regulatory genetic interactions that we call binding dominance. We investigated a biophysical model of gene regulation, where the fractional occupancy of a transcription factor (TF) on the cis-regulated promoter site it binds to is determined by binding energy (-{\Delta}G) and TF dosage. Transcription and gene expression proceed when the TF is bound to the promoter. In diploids, individuals may be heterozygous at the cis-site, at the TF's coding region, or at the TF's own promoter, which determines allele-specific dosage. We find that when the TF's coding region is heterozygous, TF alleles compete for occupancy at the cis sites and the tighter-binding TF is dominant in proportion to the difference in binding strength. When the TF's own promoter is heterozygous, the TF produced at the higher dosage is also dominant. Cis-site heterozygotes have additive expression and therefore codominant phenotypes. Binding dominance propagates to affect the expression of downstream loci and it is sensitive in both magnitude and direction to genetic background, but its detectability often attenuates. While binding dominance is inevitable at the molecular level, it is difficult to detect in the phenotype under some biophysical conditions, more so when TF dosage is high and allele-specific binding affinities are similar. A body of empirical research on the biophysics of TF binding demonstrates the plausibility of this mechanism of dominance, but studies of gene expression under competitive binding in heterozygotes in a diversity of genetic backgrounds are needed.
1308.6534
David Wick
W. David Wick
Stopping the SuperSpreader Epidemic: the lessons from SARS (with, perhaps, applications to MERS)
null
null
null
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
I discuss the so-called SuperSpreader epidemic, for which SARS is the canonical examples (and, perhaps, MERS will be another). I use simulation by an agent-based model as well as the mathematics of multi-type branching-processes to illustrate how the SS epidemic differs from the more familiar uniform epidemic (e.g., caused by influenza). The conclusions may surprise the reader: (a) The SS epidemic must be described by at least two numbers, such as the mean reproductive number (of "secondary" cases caused by a "primary case"), R0, and the variance of same, call it V0; (b) Even if R0 > 1, if V0 >> R0 the probability that an infection-chain caused by one primary case goes extinct without intervention may be close to one (e.g., 0.97); (c) The SS epidemic may have a long "kindling period" in which sporadic cases appear (transmitted from some unknown host) and generate a cluster of cases, but the chains peter out, perhaps generating a false sense of security that a pandemic will not occur; (d) Interventions such as isolation (or contact-tracing and secondary case isolation) may prove efficacious even without driving R0 below one; (e) The efficacy of such interventions diminishes, but slowly, with increasing V0 at fixed R0. From these considerations, I argue that the SS epidemic has dynamics sufficiently distinct from the uniform case that efficacious public-health interventions can be designed even in the absence of a vaccine or other form of treatment.
[ { "created": "Thu, 29 Aug 2013 17:44:47 GMT", "version": "v1" } ]
2013-08-30
[ [ "Wick", "W. David", "" ] ]
I discuss the so-called SuperSpreader epidemic, for which SARS is the canonical examples (and, perhaps, MERS will be another). I use simulation by an agent-based model as well as the mathematics of multi-type branching-processes to illustrate how the SS epidemic differs from the more familiar uniform epidemic (e.g., caused by influenza). The conclusions may surprise the reader: (a) The SS epidemic must be described by at least two numbers, such as the mean reproductive number (of "secondary" cases caused by a "primary case"), R0, and the variance of same, call it V0; (b) Even if R0 > 1, if V0 >> R0 the probability that an infection-chain caused by one primary case goes extinct without intervention may be close to one (e.g., 0.97); (c) The SS epidemic may have a long "kindling period" in which sporadic cases appear (transmitted from some unknown host) and generate a cluster of cases, but the chains peter out, perhaps generating a false sense of security that a pandemic will not occur; (d) Interventions such as isolation (or contact-tracing and secondary case isolation) may prove efficacious even without driving R0 below one; (e) The efficacy of such interventions diminishes, but slowly, with increasing V0 at fixed R0. From these considerations, I argue that the SS epidemic has dynamics sufficiently distinct from the uniform case that efficacious public-health interventions can be designed even in the absence of a vaccine or other form of treatment.
1807.08039
Chieh Lo
Chieh Lo and Radu Marculescu
PGLasso: Microbial Community Detection through Phylogenetic Graphical Lasso
null
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Due to the recent advances in high-throughput sequencing technologies, it becomes possible to directly analyze microbial communities in the human body and in the environment. Knowledge of how microbes interact with each other and form functional communities can provide a solid foundation to understand microbiome related diseases; this can serve as a key step towards precision medicine. In order to understand how microbes form communities, we propose a two step approach: First, we infer the microbial co-occurrence network by integrating a graph inference algorithm with phylogenetic information obtained directly from metagenomic data. Next, we utilize a network-based community detection algorithm to cluster microbes into functional groups where microbes in each group are highly correlated. We also curate a "gold standard" network based on the microbe-metabolic relationships which are extracted directly from the metagenomic data. Utilizing community detection on the resulting microbial metabolic pathway bipartite graph, the community membership for each microbe can be viewed as the true label when evaluating against other existing methods. Overall, our proposed framework Phylogenetic Graphical Lasso (PGLasso) outperforms existing methods with gains larger than 100% in terms of Adjusted Rand Index (ARI) which is commonly used to quantify the goodness of clusterings.
[ { "created": "Fri, 20 Jul 2018 21:36:02 GMT", "version": "v1" } ]
2018-07-24
[ [ "Lo", "Chieh", "" ], [ "Marculescu", "Radu", "" ] ]
Due to the recent advances in high-throughput sequencing technologies, it becomes possible to directly analyze microbial communities in the human body and in the environment. Knowledge of how microbes interact with each other and form functional communities can provide a solid foundation to understand microbiome related diseases; this can serve as a key step towards precision medicine. In order to understand how microbes form communities, we propose a two step approach: First, we infer the microbial co-occurrence network by integrating a graph inference algorithm with phylogenetic information obtained directly from metagenomic data. Next, we utilize a network-based community detection algorithm to cluster microbes into functional groups where microbes in each group are highly correlated. We also curate a "gold standard" network based on the microbe-metabolic relationships which are extracted directly from the metagenomic data. Utilizing community detection on the resulting microbial metabolic pathway bipartite graph, the community membership for each microbe can be viewed as the true label when evaluating against other existing methods. Overall, our proposed framework Phylogenetic Graphical Lasso (PGLasso) outperforms existing methods with gains larger than 100% in terms of Adjusted Rand Index (ARI) which is commonly used to quantify the goodness of clusterings.
2107.02962
Bin-Guo Wang
Bin-Guo Wang, Shunxiang Huang, Yongping Xiong, Ming-Zhen Xin, Jing LI, Jiangqian Zhang, Zhihui Ma
Transmission Dynamics of COVID-19 Pandemic Non-pharmaceutical Interventions and Vaccination
null
null
null
null
q-bio.PE math.DS
http://creativecommons.org/licenses/by/4.0/
Non-pharmaceutical interventions(NPIs) play an important role in the early stage control of COVID-19 pandemic. Vaccination is considered to be the inevitable course to stop the spread of SARS-CoV-2. Based on the mechanism, a SVEIR COVID-19 model with vaccination and NPIs is proposed. By means of the basic reproduction number $R_{0}$, it is shown that the disease-free equilibrium is globally attractive if $\mathscr{R}_{0}<1$, and COVID-19 is uniform persistence if $\mathscr{R}_{0}>1$. Taking Indian dates for example in the numerical simulation, we find that our dynamical results fits well with the statistical dates. Consequently, we forecast the spreading trend of COVID-19 pandemic in India. Furthermore, our results imply that improving the intensity of NPIs will greatly reduce the number of confirmed cases. Especially, NPIs are indispensable even if all the people were vaccinated when the efficiency of vaccine is relatively low. By simulating the relation ships of the basic reproduction number $\mathscr{R}_{0}$, the vaccination rate and the efficiency of vaccine, we find that it is impossible to achieve the herd immunity without NPIs when the efficiency of vaccine is lower than $76.9\%$. Therefore, the herd immunity area is defined by the evolution of relationships between the vaccination rate and the efficiency of vaccine. In the study of two patchy, we give the conditions for India and China to be open to navigation. Furthermore, an appropriate dispersal of population between India and China is obtained. A discussion completes the paper.
[ { "created": "Wed, 7 Jul 2021 00:51:09 GMT", "version": "v1" } ]
2021-07-08
[ [ "Wang", "Bin-Guo", "" ], [ "Huang", "Shunxiang", "" ], [ "Xiong", "Yongping", "" ], [ "Xin", "Ming-Zhen", "" ], [ "LI", "Jing", "" ], [ "Zhang", "Jiangqian", "" ], [ "Ma", "Zhihui", "" ] ]
Non-pharmaceutical interventions(NPIs) play an important role in the early stage control of COVID-19 pandemic. Vaccination is considered to be the inevitable course to stop the spread of SARS-CoV-2. Based on the mechanism, a SVEIR COVID-19 model with vaccination and NPIs is proposed. By means of the basic reproduction number $R_{0}$, it is shown that the disease-free equilibrium is globally attractive if $\mathscr{R}_{0}<1$, and COVID-19 is uniform persistence if $\mathscr{R}_{0}>1$. Taking Indian dates for example in the numerical simulation, we find that our dynamical results fits well with the statistical dates. Consequently, we forecast the spreading trend of COVID-19 pandemic in India. Furthermore, our results imply that improving the intensity of NPIs will greatly reduce the number of confirmed cases. Especially, NPIs are indispensable even if all the people were vaccinated when the efficiency of vaccine is relatively low. By simulating the relation ships of the basic reproduction number $\mathscr{R}_{0}$, the vaccination rate and the efficiency of vaccine, we find that it is impossible to achieve the herd immunity without NPIs when the efficiency of vaccine is lower than $76.9\%$. Therefore, the herd immunity area is defined by the evolution of relationships between the vaccination rate and the efficiency of vaccine. In the study of two patchy, we give the conditions for India and China to be open to navigation. Furthermore, an appropriate dispersal of population between India and China is obtained. A discussion completes the paper.
1405.1413
Giuseppe Pontrelli
Giuseppe Pontrelli, Filippo de Monte
A two-phase two-layer model for transdermal drug delivery and percutaneous absorption
Mathematical Biosciences, accepted, 2014
Mathematical Biosciences, 257, pp. 96-103, 2014
10.1016/j.mbs.2014.05.001
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
One of the promising frontiers of bioengineering is the controlled release of a therapeuticdrug from a vehicle across the skin (transdermal drug delivery). In order to study the complete process, a two-phase mathematical model describing the dynamics of a substance between two coupled media of different properties and dimensions is presented. A system of partial differential equations describes the diffusion and the binding/unbinding processes in both layers. Additional flux continuity at the interface and clearance conditions into systemic circulation are imposed. An eigenvalue problem with discontinuous coefficients is solved and an analytical solution is given in the form of an infinite series expansion. The model points out the role of the diffusion and reaction parameters, which control the complex transfer mechanism and the drug kinetics across the two layers. Drug masses are given and their dependence on the physical parameters is discussed.
[ { "created": "Tue, 6 May 2014 09:07:48 GMT", "version": "v1" } ]
2016-01-15
[ [ "Pontrelli", "Giuseppe", "" ], [ "de Monte", "Filippo", "" ] ]
One of the promising frontiers of bioengineering is the controlled release of a therapeuticdrug from a vehicle across the skin (transdermal drug delivery). In order to study the complete process, a two-phase mathematical model describing the dynamics of a substance between two coupled media of different properties and dimensions is presented. A system of partial differential equations describes the diffusion and the binding/unbinding processes in both layers. Additional flux continuity at the interface and clearance conditions into systemic circulation are imposed. An eigenvalue problem with discontinuous coefficients is solved and an analytical solution is given in the form of an infinite series expansion. The model points out the role of the diffusion and reaction parameters, which control the complex transfer mechanism and the drug kinetics across the two layers. Drug masses are given and their dependence on the physical parameters is discussed.
1912.03412
Eric Jones
Zipeng Wang, Eric W. Jones, Joshua M. Mueller, Jean M. Carlson
Control of ecological outcomes through deliberate parameter changes in a model of the gut microbiome
main text 9 pages, 5 figures; supplement 10 pages, 2 figures
Phys. Rev. E 101, 052402 (2020)
10.1103/PhysRevE.101.052402
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The generalized Lotka-Volterra (gLV) equations are a mathematical proxy for ecological dynamics. We focus on a gLV model of the gut microbiome, in which the evolution of the gut microbial state is determined in part by pairwise inter-species interaction parameters that encode environmentally-mediated resource competition between microbes. We develop an in silico method that controls the steady-state outcome of the system by adjusting these interaction parameters. This approach is confined to a bistable region of the gLV model. The two steady states of interest are idealized as either a "healthy" or "diseased" steady state of the gut microbiome. In this method, a dimensionality reduction technique called steady-state reduction (SSR) is first used to generate a two-dimensional (2D) gLV model that approximates the high-dimensional dynamics on the 2D subspace spanned by the two steady states. Then a bifurcation analysis of the 2D model analytically determines parameter modifications that drive a disease-prone initial condition to the healthy steady state. This parameter modification of the reduced 2D model guides parameter modifications of the original high-dimensional model, resulting in a change of steady-state outcome in the high-dimensional model. This control method, called SPARC (SSR-guided parameter change), bypasses the computational challenge of directly determining parameter modifications in the original high-dimensional system. SPARC could guide the development of indirect bacteriotherapies, which seek to change microbial compositions by deliberately modifying gut environmental variables such as gut acidity or macronutrient availability.
[ { "created": "Sat, 7 Dec 2019 02:04:40 GMT", "version": "v1" }, { "created": "Sun, 29 Mar 2020 06:02:17 GMT", "version": "v2" } ]
2020-05-13
[ [ "Wang", "Zipeng", "" ], [ "Jones", "Eric W.", "" ], [ "Mueller", "Joshua M.", "" ], [ "Carlson", "Jean M.", "" ] ]
The generalized Lotka-Volterra (gLV) equations are a mathematical proxy for ecological dynamics. We focus on a gLV model of the gut microbiome, in which the evolution of the gut microbial state is determined in part by pairwise inter-species interaction parameters that encode environmentally-mediated resource competition between microbes. We develop an in silico method that controls the steady-state outcome of the system by adjusting these interaction parameters. This approach is confined to a bistable region of the gLV model. The two steady states of interest are idealized as either a "healthy" or "diseased" steady state of the gut microbiome. In this method, a dimensionality reduction technique called steady-state reduction (SSR) is first used to generate a two-dimensional (2D) gLV model that approximates the high-dimensional dynamics on the 2D subspace spanned by the two steady states. Then a bifurcation analysis of the 2D model analytically determines parameter modifications that drive a disease-prone initial condition to the healthy steady state. This parameter modification of the reduced 2D model guides parameter modifications of the original high-dimensional model, resulting in a change of steady-state outcome in the high-dimensional model. This control method, called SPARC (SSR-guided parameter change), bypasses the computational challenge of directly determining parameter modifications in the original high-dimensional system. SPARC could guide the development of indirect bacteriotherapies, which seek to change microbial compositions by deliberately modifying gut environmental variables such as gut acidity or macronutrient availability.
0704.3748
Gerald A. Miller
Gerald A. Miller, Yi Y. Shi, Hong Qian, and Karol Bomsztyk
Clustering Coefficients of Protein-Protein Interaction Networks
16 pages, 3 figures, in Press PRE uses pdflatex
Phys. Rev. E 75, 051910 (2007)
10.1103/PhysRevE.75.051910
null
q-bio.QM cond-mat.stat-mech physics.bio-ph q-bio.MN
null
The properties of certain networks are determined by hidden variables that are not explicitly measured. The conditional probability (propagator) that a vertex with a given value of the hidden variable is connected to k of other vertices determines all measurable properties. We study hidden variable models and find an averaging approximation that enables us to obtain a general analytical result for the propagator. Analytic results showing the validity of the approximation are obtained. We apply hidden variable models to protein-protein interaction networks (PINs) in which the hidden variable is the association free-energy, determined by distributions that depend on biochemistry and evolution. We compute degree distributions as well as clustering coefficients of several PINs of different species; good agreement with measured data is obtained. For the human interactome two different parameter sets give the same degree distributions, but the computed clustering coefficients differ by a factor of about two. This shows that degree distributions are not sufficient to determine the properties of PINs.
[ { "created": "Fri, 27 Apr 2007 21:00:20 GMT", "version": "v1" } ]
2009-11-13
[ [ "Miller", "Gerald A.", "" ], [ "Shi", "Yi Y.", "" ], [ "Qian", "Hong", "" ], [ "Bomsztyk", "Karol", "" ] ]
The properties of certain networks are determined by hidden variables that are not explicitly measured. The conditional probability (propagator) that a vertex with a given value of the hidden variable is connected to k of other vertices determines all measurable properties. We study hidden variable models and find an averaging approximation that enables us to obtain a general analytical result for the propagator. Analytic results showing the validity of the approximation are obtained. We apply hidden variable models to protein-protein interaction networks (PINs) in which the hidden variable is the association free-energy, determined by distributions that depend on biochemistry and evolution. We compute degree distributions as well as clustering coefficients of several PINs of different species; good agreement with measured data is obtained. For the human interactome two different parameter sets give the same degree distributions, but the computed clustering coefficients differ by a factor of about two. This shows that degree distributions are not sufficient to determine the properties of PINs.
2004.12124
Jean-Francois Berret
Milad Radiom, Jean-Franccois Berret
Common trends in the epidemic of Covid-19 disease
15 pages, 5 figures, 2 tables
The European Physical Journal Plus 135, 517 (2020)
10.1140/epjp/s13360-020-00526-1
null
q-bio.PE physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The discovery of SARS-CoV-2, the responsible virus for the Covid-19 epidemic, has sparked a global health concern with many countries affected. Developing models that can interpret the epidemic and give common trend parameters are useful for prediction purposes by other countries that are at an earlier phase of the epidemic; it is also useful for future planning against viral respiratory diseases. One model is developed to interpret the fast-growth phase of the epidemic and another model for an interpretation of the entire data set. Both models agree reasonably with the data. It is shown by the first model that during the fast phase, the number of new infected cases depends on the total number of cases by a power-law relation with a scaling exponent equal to 0.82. The second model gives a duplication time in the range 1 to 3 days early in the start of the epidemic, and another parameter alpha = 0.1-0.5) that deviates the progress of the epidemic from an exponential growth. Our models may be used for data interpretation and for guiding predictions regarding this disease, e.g. the onset of the maximum in the number of new cases.
[ { "created": "Sat, 25 Apr 2020 12:24:27 GMT", "version": "v1" }, { "created": "Wed, 10 Jun 2020 16:06:44 GMT", "version": "v2" } ]
2021-09-21
[ [ "Radiom", "Milad", "" ], [ "Berret", "Jean-Franccois", "" ] ]
The discovery of SARS-CoV-2, the responsible virus for the Covid-19 epidemic, has sparked a global health concern with many countries affected. Developing models that can interpret the epidemic and give common trend parameters are useful for prediction purposes by other countries that are at an earlier phase of the epidemic; it is also useful for future planning against viral respiratory diseases. One model is developed to interpret the fast-growth phase of the epidemic and another model for an interpretation of the entire data set. Both models agree reasonably with the data. It is shown by the first model that during the fast phase, the number of new infected cases depends on the total number of cases by a power-law relation with a scaling exponent equal to 0.82. The second model gives a duplication time in the range 1 to 3 days early in the start of the epidemic, and another parameter alpha = 0.1-0.5) that deviates the progress of the epidemic from an exponential growth. Our models may be used for data interpretation and for guiding predictions regarding this disease, e.g. the onset of the maximum in the number of new cases.
2311.07793
Marcela Svarc
Fernando A. Najman, Antonio Galves, Marcela Svarc and Claudia D. Vargas
The brain uses renewal points to model random sequences of stimuli
11 pages, 5 figures
null
null
null
q-bio.NC stat.ME
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
It has been classically conjectured that the brain assigns probabilistic models to sequences of stimuli. An important issue associated with this conjecture is the identification of the classes of models used by the brain to perform this task. We address this issue by using a new clustering procedure for sets of electroencephalographic (EEG) data recorded from participants exposed to a sequence of auditory stimuli generated by a stochastic chain. This clustering procedure indicates that the brain uses renewal points in the stochastic sequence of auditory stimuli in order to build a model.
[ { "created": "Mon, 13 Nov 2023 23:02:32 GMT", "version": "v1" }, { "created": "Wed, 27 Dec 2023 18:20:58 GMT", "version": "v2" } ]
2023-12-29
[ [ "Najman", "Fernando A.", "" ], [ "Galves", "Antonio", "" ], [ "Svarc", "Marcela", "" ], [ "Vargas", "Claudia D.", "" ] ]
It has been classically conjectured that the brain assigns probabilistic models to sequences of stimuli. An important issue associated with this conjecture is the identification of the classes of models used by the brain to perform this task. We address this issue by using a new clustering procedure for sets of electroencephalographic (EEG) data recorded from participants exposed to a sequence of auditory stimuli generated by a stochastic chain. This clustering procedure indicates that the brain uses renewal points in the stochastic sequence of auditory stimuli in order to build a model.
1612.01409
Santosh Tirunagari
Norman Poh, Simon Bull, Santosh Tirunagari, Nicholas Cole, Simon de Lusignan
Probabilistic Broken-Stick Model: A Regression Algorithm for Irregularly Sampled Data with Application to eGFR
Preprint submitted to Journal of Biomedical Informatics
null
null
null
q-bio.QM stat.AP
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
In order for clinicians to manage disease progression and make effective decisions about drug dosage, treatment regimens or scheduling follow up appointments, it is necessary to be able to identify both short and long-term trends in repeated biomedical measurements. However, this is complicated by the fact that these measurements are irregularly sampled and influenced by both genuine physiological changes and external factors. In their current forms, existing regression algorithms often do not fulfil all of a clinician's requirements for identifying short-term events while still being able to identify long-term trends in disease progression. Therefore, in order to balance both short term interpretability and long term flexibility, an extension to broken-stick regression models is proposed in order to make them more suitable for modelling clinical time series. The proposed probabilistic broken-stick model can robustly estimate both short-term and long-term trends simultaneously, while also accommodating the unequal length and irregularly sampled nature of clinical time series. Moreover, since the model is parametric and completely generative, its first derivative provides a long-term non-linear estimate of the annual rate of change in the measurements more reliably than linear regression. The benefits of the proposed model are illustrated using estimated glomerular filtration rate as a case study for managing patients with chronic kidney disease.
[ { "created": "Wed, 30 Nov 2016 17:50:44 GMT", "version": "v1" } ]
2016-12-06
[ [ "Poh", "Norman", "" ], [ "Bull", "Simon", "" ], [ "Tirunagari", "Santosh", "" ], [ "Cole", "Nicholas", "" ], [ "de Lusignan", "Simon", "" ] ]
In order for clinicians to manage disease progression and make effective decisions about drug dosage, treatment regimens or scheduling follow up appointments, it is necessary to be able to identify both short and long-term trends in repeated biomedical measurements. However, this is complicated by the fact that these measurements are irregularly sampled and influenced by both genuine physiological changes and external factors. In their current forms, existing regression algorithms often do not fulfil all of a clinician's requirements for identifying short-term events while still being able to identify long-term trends in disease progression. Therefore, in order to balance both short term interpretability and long term flexibility, an extension to broken-stick regression models is proposed in order to make them more suitable for modelling clinical time series. The proposed probabilistic broken-stick model can robustly estimate both short-term and long-term trends simultaneously, while also accommodating the unequal length and irregularly sampled nature of clinical time series. Moreover, since the model is parametric and completely generative, its first derivative provides a long-term non-linear estimate of the annual rate of change in the measurements more reliably than linear regression. The benefits of the proposed model are illustrated using estimated glomerular filtration rate as a case study for managing patients with chronic kidney disease.
q-bio/0506016
Bob Eisenberg
Bob Eisenberg
Ions in Fluctuating Channels: Transistors Alive
Revised version of earlier submission, as invited, refereed, and published by journal
Fluctuations and Noise Letters (2012) 11:76-96
10.1142/S0219477512400019
null
q-bio.BM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Ion channels are proteins with a hole down the middle embedded in cell membranes. Membranes form insulating structures and the channels through them allow and control the movement of charged particles, spherical ions, mostly Na+, K+, Ca++, and Cl-. Membranes contain hundreds or thousands of types of channels, fluctuating between open conducting, and closed insulating states. Channels control an enormous range of biological function by opening and closing in response to specific stimuli using mechanisms that are not yet understood in physical language. Open channels conduct current of charged particles following laws of Brownian movement of charged spheres rather like the laws of electrodiffusion of quasi-particles in semiconductors. Open channels select between similar ions using a combination of electrostatic and 'crowded charge' (Lennard-Jones) forces. The specific location of atoms and the exact atomic structure of the channel protein seems much less important than certain properties of the structure, namely the volume accessible to ions and the effective density of fixed and polarization charge. There is no sign of other chemical effects like delocalization of electron orbitals between ions and the channel protein. Channels play a role in biology as important as transistors in computers, and they use rather similar physics to perform part of that role. Understanding their fluctuations awaits physical insight into the source of the variance and mathematical analysis of the coupling of the fluctuations to the other components and forces of the system.
[ { "created": "Tue, 14 Jun 2005 14:28:58 GMT", "version": "v1" }, { "created": "Sun, 3 Feb 2008 22:32:30 GMT", "version": "v2" }, { "created": "Fri, 10 May 2013 18:40:14 GMT", "version": "v3" } ]
2015-05-11
[ [ "Eisenberg", "Bob", "" ] ]
Ion channels are proteins with a hole down the middle embedded in cell membranes. Membranes form insulating structures and the channels through them allow and control the movement of charged particles, spherical ions, mostly Na+, K+, Ca++, and Cl-. Membranes contain hundreds or thousands of types of channels, fluctuating between open conducting, and closed insulating states. Channels control an enormous range of biological function by opening and closing in response to specific stimuli using mechanisms that are not yet understood in physical language. Open channels conduct current of charged particles following laws of Brownian movement of charged spheres rather like the laws of electrodiffusion of quasi-particles in semiconductors. Open channels select between similar ions using a combination of electrostatic and 'crowded charge' (Lennard-Jones) forces. The specific location of atoms and the exact atomic structure of the channel protein seems much less important than certain properties of the structure, namely the volume accessible to ions and the effective density of fixed and polarization charge. There is no sign of other chemical effects like delocalization of electron orbitals between ions and the channel protein. Channels play a role in biology as important as transistors in computers, and they use rather similar physics to perform part of that role. Understanding their fluctuations awaits physical insight into the source of the variance and mathematical analysis of the coupling of the fluctuations to the other components and forces of the system.
1407.0865
Gibin Powathil
Gibin G Powathil, Mark AJ Chaplain and Maciej Swat
Investigating the development of chemotherapeutic drug resistance in cancer: A multiscale computational study
null
null
null
null
q-bio.TO
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Chemotherapy is one of the most important therapeutic options used to treat human cancers, either alone or in combination with radiation therapy and surgery. Recent studies have indicated that intra-tumoural heterogeneity has a significant role in driving resistance to chemotherapy in many human malignancies. Multiple factors including the internal cell-cycle dynamics and the external microenvironement contribute to the intra-tumoural heterogeneity. In this paper we present a hybrid, multiscale, individual-based mathematical model, incorporating internal cell-cycle dynamics and changes in oxygen concentration, to study the effects of delivery of several different chemotherapeutic drugs on the heterogeneous subpopulations of cancer cells with varying cell-cycle dynamics. The computational simulation results from the multiscale model are in good agreement with available experimental data and support the hypothesis that slow-cycling sub-populations of tumour cells within a growing tumour mass can induce drug resistance to chemotherapy and thus the use of conventional chemotherapy may actually result in the emergence of dominant, therapy-resistant, slow-cycling subpopulations of tumour cells. Our results indicate that the appearance of this chemotherapeutic resistance is mainly due to the inability of the administered drug to target all cancer cells irrespective of the stage in the cell-cycle they are in i.e. most chemotherapeutic drugs target cells in a particular phase/phases of the cell-cycle, and hence always spare some cancer cells that are not in the targeted cell-cycle phase/phases. The results also suggest that this cell-cycle-mediated drug resistance may be overcome by using multiple doses of cell-cycle, phase-specific chemotherapy that targets cells in all phases and its appropriate sequencing and scheduling.
[ { "created": "Thu, 3 Jul 2014 11:03:02 GMT", "version": "v1" } ]
2014-07-04
[ [ "Powathil", "Gibin G", "" ], [ "Chaplain", "Mark AJ", "" ], [ "Swat", "Maciej", "" ] ]
Chemotherapy is one of the most important therapeutic options used to treat human cancers, either alone or in combination with radiation therapy and surgery. Recent studies have indicated that intra-tumoural heterogeneity has a significant role in driving resistance to chemotherapy in many human malignancies. Multiple factors including the internal cell-cycle dynamics and the external microenvironement contribute to the intra-tumoural heterogeneity. In this paper we present a hybrid, multiscale, individual-based mathematical model, incorporating internal cell-cycle dynamics and changes in oxygen concentration, to study the effects of delivery of several different chemotherapeutic drugs on the heterogeneous subpopulations of cancer cells with varying cell-cycle dynamics. The computational simulation results from the multiscale model are in good agreement with available experimental data and support the hypothesis that slow-cycling sub-populations of tumour cells within a growing tumour mass can induce drug resistance to chemotherapy and thus the use of conventional chemotherapy may actually result in the emergence of dominant, therapy-resistant, slow-cycling subpopulations of tumour cells. Our results indicate that the appearance of this chemotherapeutic resistance is mainly due to the inability of the administered drug to target all cancer cells irrespective of the stage in the cell-cycle they are in i.e. most chemotherapeutic drugs target cells in a particular phase/phases of the cell-cycle, and hence always spare some cancer cells that are not in the targeted cell-cycle phase/phases. The results also suggest that this cell-cycle-mediated drug resistance may be overcome by using multiple doses of cell-cycle, phase-specific chemotherapy that targets cells in all phases and its appropriate sequencing and scheduling.
2210.09308
Nicolas F. Chaves De Plaza
Nicolas F. Chaves-de-Plaza, Klaus Hildebrandt, Anna Vilanova
ProtoFold Neighborhood Inspector
Accepted submission for the Bio+MedVis challenge @ IEEE VIS 2022
null
null
null
q-bio.QM cs.GR
http://creativecommons.org/licenses/by/4.0/
Post-translational modifications (PTMs) affecting a protein's residues (amino acids) can disturb its function, leading to illness. Whether or not a PTM is pathogenic depends on its type and the status of neighboring residues. In this paper, we present the ProtoFold Neighborhood Inspector (PFNI), a visualization system for analyzing residues neighborhoods. The main contribution is a visualization idiom, the Residue Constellation (RC), for identifying and comparing three-dimensional neighborhoods based on per-residue features and spatial characteristics. The RC leverages two-dimensional representations of the protein's three-dimensional structure to overcome problems like occlusion, easing the analysis of neighborhoods that often have complicated spatial arrangements. Using the PFNI, we explored proteins' structural PTM data, which allowed us to identify patterns in the distribution and quantity of per-neighborhood PTMs that might be related to their pathogenic status. In the following, we define the tasks that guided the development of the PFNI and describe the data sources we derived and used. Then, we introduce the PFNI and illustrate its usage through an example of an analysis workflow. We conclude by reflecting on preliminary findings obtained while using the tool on the provided data and future directions concerning the development of the PFNI.
[ { "created": "Mon, 17 Oct 2022 09:23:24 GMT", "version": "v1" } ]
2022-10-19
[ [ "Chaves-de-Plaza", "Nicolas F.", "" ], [ "Hildebrandt", "Klaus", "" ], [ "Vilanova", "Anna", "" ] ]
Post-translational modifications (PTMs) affecting a protein's residues (amino acids) can disturb its function, leading to illness. Whether or not a PTM is pathogenic depends on its type and the status of neighboring residues. In this paper, we present the ProtoFold Neighborhood Inspector (PFNI), a visualization system for analyzing residues neighborhoods. The main contribution is a visualization idiom, the Residue Constellation (RC), for identifying and comparing three-dimensional neighborhoods based on per-residue features and spatial characteristics. The RC leverages two-dimensional representations of the protein's three-dimensional structure to overcome problems like occlusion, easing the analysis of neighborhoods that often have complicated spatial arrangements. Using the PFNI, we explored proteins' structural PTM data, which allowed us to identify patterns in the distribution and quantity of per-neighborhood PTMs that might be related to their pathogenic status. In the following, we define the tasks that guided the development of the PFNI and describe the data sources we derived and used. Then, we introduce the PFNI and illustrate its usage through an example of an analysis workflow. We conclude by reflecting on preliminary findings obtained while using the tool on the provided data and future directions concerning the development of the PFNI.
2004.11242
Aurelie Nakamura
Aurelie Nakamura (iPLESP), Laura Pryor (iPLESP), Morgane Ballon (CRESS), Sandrine Lioret (CRESS), Barbara Heude (CRESS), Marie-Aline Charles (ELFE), Maria Melchior (iPLESP), El-Khoury Lesueur (iPLESP)
Maternal education and offspring birthweight for gestational age: the mediating effect of smoking during pregnancy
null
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Background Small for gestational age (SGA) birthweight, a risk factor of infant mortality and delayed child development, is associated with maternal educational attainment. Maternal tobacco smoking during pregnancy could contribute to this association. We aimed to quantify the contribution of maternal smoking during pregnancy to social inequalities in child birthweight for gestational age (GA). Methods Data come from the French nation-wide ELFE cohort study, which included 17,155 singletons. Birthweights for GA were calculated using z-scores. Associations between maternal educational attainment, tobacco smoking during pregnancy and child birthweight for GA were ascertained using mediation analysis. Mediation analyses were also stratified by maternal pre-pregnancy body mass index.Results Low maternal educational attainment was associated with an increased odd of tobacco smoking during pregnancy (adjusted OR (ORa)=2.58 [95% CI 2.34, 2.84]) as well as a decrease in child birthweight for GA (RRa=0.94 [95% 0.91, 0.98]). Tobacco smoking during pregnancy was associated with a decrease in offspring birthweight for GA (RRa=0.73 [95% CI 0.70, 0.76]). Mediation analysis suggests that 39% of the effect of low maternal educational attainment on offspring birthweight for GA was mediated by smoking during pregnancy. A more important direct effect of maternal educational attainment on child birthweight for GA was observed among underweight women (RRa=0.82 [95%CI 0.72, 0.93]).Conclusions The relationship between maternal educational attainment and child birthweight for GA is strongly mediated by smoking during pregnancy. Reducing maternal smoking could lessen the occurrence of infant SGA and decrease socioeconomic inequalities in birthweight for GA.Keywords Birthweight, educational attainment, tobacco smoking, pregnancy, mediation analysis, health inequalities
[ { "created": "Wed, 22 Apr 2020 09:00:35 GMT", "version": "v1" } ]
2020-04-24
[ [ "Nakamura", "Aurelie", "", "iPLESP" ], [ "Pryor", "Laura", "", "iPLESP" ], [ "Ballon", "Morgane", "", "CRESS" ], [ "Lioret", "Sandrine", "", "CRESS" ], [ "Heude", "Barbara", "", "CRESS" ], [ "Charles", "Marie-Aline", "", "ELFE" ], [ "Melchior", "Maria", "", "iPLESP" ], [ "Lesueur", "El-Khoury", "", "iPLESP" ] ]
Background Small for gestational age (SGA) birthweight, a risk factor of infant mortality and delayed child development, is associated with maternal educational attainment. Maternal tobacco smoking during pregnancy could contribute to this association. We aimed to quantify the contribution of maternal smoking during pregnancy to social inequalities in child birthweight for gestational age (GA). Methods Data come from the French nation-wide ELFE cohort study, which included 17,155 singletons. Birthweights for GA were calculated using z-scores. Associations between maternal educational attainment, tobacco smoking during pregnancy and child birthweight for GA were ascertained using mediation analysis. Mediation analyses were also stratified by maternal pre-pregnancy body mass index.Results Low maternal educational attainment was associated with an increased odd of tobacco smoking during pregnancy (adjusted OR (ORa)=2.58 [95% CI 2.34, 2.84]) as well as a decrease in child birthweight for GA (RRa=0.94 [95% 0.91, 0.98]). Tobacco smoking during pregnancy was associated with a decrease in offspring birthweight for GA (RRa=0.73 [95% CI 0.70, 0.76]). Mediation analysis suggests that 39% of the effect of low maternal educational attainment on offspring birthweight for GA was mediated by smoking during pregnancy. A more important direct effect of maternal educational attainment on child birthweight for GA was observed among underweight women (RRa=0.82 [95%CI 0.72, 0.93]).Conclusions The relationship between maternal educational attainment and child birthweight for GA is strongly mediated by smoking during pregnancy. Reducing maternal smoking could lessen the occurrence of infant SGA and decrease socioeconomic inequalities in birthweight for GA.Keywords Birthweight, educational attainment, tobacco smoking, pregnancy, mediation analysis, health inequalities
1006.2752
Eva Gehrmann
Eva Gehrmann and Barbara Drossel
Boolean versus continuous dynamics on simple two-gene modules
8 pages, 10 figures
null
10.1103/PhysRevE.82.046120
null
q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We investigate the dynamical behavior of simple modules composed of two genes with two or three regulating connections. Continuous dynamics for mRNA and protein concentrations is compared to a Boolean model for gene activity. Using a generalized method, we study within a single framework different continuous models and different types of regulatory functions, and establish conditions under which the system can display stable oscillations. These conditions concern the time scales, the degree of cooperativity of the regulating interactions, and the signs of the interactions. Not all models that show oscillations under Boolean dynamics can have oscillations under continuous dynamics, and vice versa.
[ { "created": "Mon, 14 Jun 2010 16:09:22 GMT", "version": "v1" } ]
2013-05-29
[ [ "Gehrmann", "Eva", "" ], [ "Drossel", "Barbara", "" ] ]
We investigate the dynamical behavior of simple modules composed of two genes with two or three regulating connections. Continuous dynamics for mRNA and protein concentrations is compared to a Boolean model for gene activity. Using a generalized method, we study within a single framework different continuous models and different types of regulatory functions, and establish conditions under which the system can display stable oscillations. These conditions concern the time scales, the degree of cooperativity of the regulating interactions, and the signs of the interactions. Not all models that show oscillations under Boolean dynamics can have oscillations under continuous dynamics, and vice versa.
1311.6345
Pierre-Olivier Amblard
Pierre-Olivier Amblard
A non-parametric efficient evaluation of Partial Directed Coherence
null
null
null
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Studying the flow of information between different areas of the brain can be performed by using the so-called Partial Directed Coherence. This measure is usually evaluated by first identifying a multivariate autoregressive model, and then by using Fourier transforms of the impulse responses identified and applying appropriate normalizations. Here, we present another route to evaluate the partial directed coherences in multivariate time series. The method proposed is non parametric, and utilises the strong spectral factorization of the inverse of the spectral density matrix of the multivariate process. To perform the factorization, we have recourse to an algorithm developed by Davis and his collaborators. We present simulations as well as an application on a real data set (Local Field Potentials in the sleeping mouse) to illustrate the methodology. A comparison to the usual approach in term of complexity is detailed. For long AR models, the proposed approach is of interest.
[ { "created": "Mon, 25 Nov 2013 16:04:18 GMT", "version": "v1" } ]
2013-11-26
[ [ "Amblard", "Pierre-Olivier", "" ] ]
Studying the flow of information between different areas of the brain can be performed by using the so-called Partial Directed Coherence. This measure is usually evaluated by first identifying a multivariate autoregressive model, and then by using Fourier transforms of the impulse responses identified and applying appropriate normalizations. Here, we present another route to evaluate the partial directed coherences in multivariate time series. The method proposed is non parametric, and utilises the strong spectral factorization of the inverse of the spectral density matrix of the multivariate process. To perform the factorization, we have recourse to an algorithm developed by Davis and his collaborators. We present simulations as well as an application on a real data set (Local Field Potentials in the sleeping mouse) to illustrate the methodology. A comparison to the usual approach in term of complexity is detailed. For long AR models, the proposed approach is of interest.
2310.14722
bastien chassagnol
Bastien Chassagnol (LPSM), Gr\'egory Nuel (LPSM), Etienne Becht
An updated State-of-the-Art Overview of transcriptomic Deconvolution Methods
null
null
null
null
q-bio.QM q-bio.GN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Although bulk transcriptomic analyses have significantly contributed to an enhanced comprehension of multifaceted diseases, their exploration capacity is impeded by the heterogeneous compositions of biological samples. Indeed, by averaging expression of multiple cell types, RNA-Seq analysis is oblivious to variations in cellular changes, hindering the identification of the internal constituents of tissues, involved in disease progression. On the other hand, single-cell techniques are still time, manpower and resource-consuming analyses.To address the intrinsic limitations of both bulk and single-cell methodologies, computational deconvolution techniques have been developed to estimate the frequencies of cell subtypes within complex tissues. These methods are especially valuable for dissecting intricate tissue niches, with a particular focus on tumour microenvironments (TME).In this paper, we offer a comprehensive overview of deconvolution techniques, classifying them based on their methodological characteristics, the type of prior knowledge required for the algorithm, and the statistical constraints they address. Within each category identified, we delve into the theoretical aspects for implementing the underlying method, while providing an in-depth discussion of their main advantages and disadvantages in supplementary materials.Notably, we emphasise the advantages of cutting-edge deconvolution tools based on probabilistic models, as they offer robust statistical frameworks that closely align with biological realities. We anticipate that this review will provide valuable guidelines for computational bioinformaticians in order to select the appropriate method in alignment with their statistical and biological objectives.We ultimately end this review by discussing open challenges that must be addressed to accurately quantify closely related cell types from RNA sequencing data, and the complementary role of single-cell RNA-Seq to that purpose.
[ { "created": "Mon, 23 Oct 2023 09:00:03 GMT", "version": "v1" } ]
2023-10-24
[ [ "Chassagnol", "Bastien", "", "LPSM" ], [ "Nuel", "Grégory", "", "LPSM" ], [ "Becht", "Etienne", "" ] ]
Although bulk transcriptomic analyses have significantly contributed to an enhanced comprehension of multifaceted diseases, their exploration capacity is impeded by the heterogeneous compositions of biological samples. Indeed, by averaging expression of multiple cell types, RNA-Seq analysis is oblivious to variations in cellular changes, hindering the identification of the internal constituents of tissues, involved in disease progression. On the other hand, single-cell techniques are still time, manpower and resource-consuming analyses.To address the intrinsic limitations of both bulk and single-cell methodologies, computational deconvolution techniques have been developed to estimate the frequencies of cell subtypes within complex tissues. These methods are especially valuable for dissecting intricate tissue niches, with a particular focus on tumour microenvironments (TME).In this paper, we offer a comprehensive overview of deconvolution techniques, classifying them based on their methodological characteristics, the type of prior knowledge required for the algorithm, and the statistical constraints they address. Within each category identified, we delve into the theoretical aspects for implementing the underlying method, while providing an in-depth discussion of their main advantages and disadvantages in supplementary materials.Notably, we emphasise the advantages of cutting-edge deconvolution tools based on probabilistic models, as they offer robust statistical frameworks that closely align with biological realities. We anticipate that this review will provide valuable guidelines for computational bioinformaticians in order to select the appropriate method in alignment with their statistical and biological objectives.We ultimately end this review by discussing open challenges that must be addressed to accurately quantify closely related cell types from RNA sequencing data, and the complementary role of single-cell RNA-Seq to that purpose.
1906.07511
Anne-Sophie Herard
Florent Letronne, Geoffroy Laumet, Anne-Marie Ayral, Julien Chapuis, Florie Demiautte, Mathias Laga, Michel Vandenberghe (LMN), Nicolas Malmanche, Florence Leroux, Fanny Eysert, Yoann Sottejeau, Linda Chami, Amandine Flaig, Charlotte Bauer (IPMC), Pierre Dourlen (JPArc - U837 Inserm), Marie Lesaffre, Charlotte Delay, Ludovic Huot (CIIL), Julie Dumont (EGID), Elisabeth Werkmeister, Franck Lafont (CIIL), Tiago Mendes (Inserm U1167 - RID-AGE - Institut Pasteur), Franck Hansmannel (NGERE), Bart Dermaut, Benoit Deprez, Anne-Sophie Herard (LMN), Marc Dhenain (UGRA / SETA), Nicolas Souedet (LMN), Florence Pasquier, David Tulasne (IBLI), Claudine Berr (UMRESTTE UMR T9405), Jean-Jacques Hauw, Yves Lemoine (UPVM), Philippe Amouyel, David Mann, Rebecca D\'eprez, Fr\'ed\'eric Checler (IPMC), David Hot (CIIL), Thierry Delzescaux (MIRCEN), Kris Gevaert, Jean-Charles Lambert (DISC)
ADAM30 Downregulates APP-Linked Defects Through Cathepsin D Activation in Alzheimer's Disease
null
EBioMedicine, Elsevier, 2016, 9, pp.278-292
10.1016/j.ebiom.2016.06.002
null
q-bio.NC q-bio.TO
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Although several ADAMs (A disintegrin-like and metalloproteases) have been shown to contribute to the amy-loid precursor protein (APP) metabolism, the full spectrum of metalloproteases involved in this metabolism remains to be established. Transcriptomic analyses centred on metalloprotease genes unraveled a 50% decrease in ADAM30 expression that inversely correlates with amyloid load in Alzheimer's disease brains. Accordingly, in vitro down-or up-regulation of ADAM30 expression triggered an increase/decrease in A$\beta$ peptides levels whereas expression of a biologically inactive ADAM30 (ADAM30 mut) did not affect A$\beta$ secretion. Proteomics/cell-based experiments showed that ADAM30-dependent regulation of APP metabolism required both cathepsin D (CTSD) activation and APP sorting to lysosomes. Accordingly, in Alzheimer-like transgenic mice, neuronal ADAM30 over-expression lowered A$\beta$42 secretion in neuron primary cultures, soluble A$\beta$42 and amyloid plaque load levels in the brain and concomitantly enhanced CTSD activity and finally rescued long term potentiation.
[ { "created": "Tue, 18 Jun 2019 11:56:49 GMT", "version": "v1" } ]
2019-06-19
[ [ "Letronne", "Florent", "", "LMN" ], [ "Laumet", "Geoffroy", "", "LMN" ], [ "Ayral", "Anne-Marie", "", "LMN" ], [ "Chapuis", "Julien", "", "LMN" ], [ "Demiautte", "Florie", "", "LMN" ], [ "Laga", "Mathias", "", "LMN" ], [ "Vandenberghe", "Michel", "", "LMN" ], [ "Malmanche", "Nicolas", "", "IPMC" ], [ "Leroux", "Florence", "", "IPMC" ], [ "Eysert", "Fanny", "", "IPMC" ], [ "Sottejeau", "Yoann", "", "IPMC" ], [ "Chami", "Linda", "", "IPMC" ], [ "Flaig", "Amandine", "", "IPMC" ], [ "Bauer", "Charlotte", "", "IPMC" ], [ "Dourlen", "Pierre", "", "JPArc - U837 Inserm" ], [ "Lesaffre", "Marie", "", "CIIL" ], [ "Delay", "Charlotte", "", "CIIL" ], [ "Huot", "Ludovic", "", "CIIL" ], [ "Dumont", "Julie", "", "EGID" ], [ "Werkmeister", "Elisabeth", "", "CIIL" ], [ "Lafont", "Franck", "", "CIIL" ], [ "Mendes", "Tiago", "", "Inserm U1167 - RID-AGE -\n Institut Pasteur" ], [ "Hansmannel", "Franck", "", "NGERE" ], [ "Dermaut", "Bart", "", "LMN" ], [ "Deprez", "Benoit", "", "LMN" ], [ "Herard", "Anne-Sophie", "", "LMN" ], [ "Dhenain", "Marc", "", "UGRA / SETA" ], [ "Souedet", "Nicolas", "", "LMN" ], [ "Pasquier", "Florence", "", "IBLI" ], [ "Tulasne", "David", "", "IBLI" ], [ "Berr", "Claudine", "", "UMRESTTE UMR T9405" ], [ "Hauw", "Jean-Jacques", "", "UPVM" ], [ "Lemoine", "Yves", "", "UPVM" ], [ "Amouyel", "Philippe", "", "IPMC" ], [ "Mann", "David", "", "IPMC" ], [ "Déprez", "Rebecca", "", "IPMC" ], [ "Checler", "Frédéric", "", "IPMC" ], [ "Hot", "David", "", "CIIL" ], [ "Delzescaux", "Thierry", "", "MIRCEN" ], [ "Gevaert", "Kris", "", "DISC" ], [ "Lambert", "Jean-Charles", "", "DISC" ] ]
Although several ADAMs (A disintegrin-like and metalloproteases) have been shown to contribute to the amy-loid precursor protein (APP) metabolism, the full spectrum of metalloproteases involved in this metabolism remains to be established. Transcriptomic analyses centred on metalloprotease genes unraveled a 50% decrease in ADAM30 expression that inversely correlates with amyloid load in Alzheimer's disease brains. Accordingly, in vitro down-or up-regulation of ADAM30 expression triggered an increase/decrease in A$\beta$ peptides levels whereas expression of a biologically inactive ADAM30 (ADAM30 mut) did not affect A$\beta$ secretion. Proteomics/cell-based experiments showed that ADAM30-dependent regulation of APP metabolism required both cathepsin D (CTSD) activation and APP sorting to lysosomes. Accordingly, in Alzheimer-like transgenic mice, neuronal ADAM30 over-expression lowered A$\beta$42 secretion in neuron primary cultures, soluble A$\beta$42 and amyloid plaque load levels in the brain and concomitantly enhanced CTSD activity and finally rescued long term potentiation.
0804.3939
Raphael Plasson
Raphael Plasson
Microreversible recycled chemical systems. Comment on "A Re-Examination of Reversibility in Reaction Models for the Spontaneous Emergence of Homochirality"
2 pages, 2 figures
J. Phys. Chem. B, 2008, 112, 9550-9552
10.1021/jp803588z
NORDITA-2008-18
q-bio.MN physics.chem-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The question of the onset of the homochirality on prebiotic Earth still remains a fundamental question in the quest for the origin of life. Recent works in this field introduce the concept of recycling, rather than the traditional open-flow system described by Frank. This approach has been criticized by Blackmond et al. They claimed that such systems are thermodynamically impossible, except in the cases where non-microreversible reactions are introduced, like in photochemical reactions, or under the influence of physical actions (e.g. by crystal crushing). This point of view reveals misunderstandings about this model of a recycled system, overlooks the possibility of energy exchanges that could take place in prebiotic systems, and leads the authors to unawarely remove the activation reaction and energy source from their "non-equilibrium" models. It is especially important to understand what are the concepts behind the notion of recycled systems, and of activation reactions. These points are fundamental to comprehending how chemical systems -- and especially prebiotic chemical systems -- can be maintained in non-equilibrium steady states, and how free energy can be used and exchanged between systems. The proposed approach aims at the decomposition of the problem, avoiding to embrace the whole system at the same time.
[ { "created": "Thu, 24 Apr 2008 14:40:23 GMT", "version": "v1" }, { "created": "Fri, 14 Nov 2008 10:21:28 GMT", "version": "v2" } ]
2011-05-23
[ [ "Plasson", "Raphael", "" ] ]
The question of the onset of the homochirality on prebiotic Earth still remains a fundamental question in the quest for the origin of life. Recent works in this field introduce the concept of recycling, rather than the traditional open-flow system described by Frank. This approach has been criticized by Blackmond et al. They claimed that such systems are thermodynamically impossible, except in the cases where non-microreversible reactions are introduced, like in photochemical reactions, or under the influence of physical actions (e.g. by crystal crushing). This point of view reveals misunderstandings about this model of a recycled system, overlooks the possibility of energy exchanges that could take place in prebiotic systems, and leads the authors to unawarely remove the activation reaction and energy source from their "non-equilibrium" models. It is especially important to understand what are the concepts behind the notion of recycled systems, and of activation reactions. These points are fundamental to comprehending how chemical systems -- and especially prebiotic chemical systems -- can be maintained in non-equilibrium steady states, and how free energy can be used and exchanged between systems. The proposed approach aims at the decomposition of the problem, avoiding to embrace the whole system at the same time.