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Fig. 3. Recycling market in Japan (arc elasticity = 1). | ["This subsection first develops the Japanese demand curve based on different assumptions of the price elasticity of demand ( 1, 1.5, 0.5). This study denotes the price elasticity of demand by a negative value. When the price elasticity is 1, 1% increases in price is associated with 1% decreases in demand. When the pric... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 3. Response surface for glucose losses at 5 wt% sulfuric acid (a) and 60 wt% sulfuric acid (b). | ["Although concentrated sulfuric acid was able to dissolve the waste textiles, the glucose yield was as low as in treatments with dilute sulfuric acid. The reason for this is that the glucose produced was rapidly degraded into other by-products (e.g. HMF and levuli- nic acid) when acid hydrolysis was performed with con... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"legend": "a", "type": "chart", "bbox": [0, 0.0289, 0.4509, 0.9968]}, {"legend": "b", "type": "chart", "bbox": [0.4836, 0.0016, 0.9976, 0.9574]}] | |
Fig. 5. Percentage redistribution of microbial compositions within composting process. | ["The composting process resulted in a significant influence on bacterial communities. In the mesophilic phase, Firmicutes was a dominant species in the bacterial community with a relative abun- dance of more than 85.39% in all treatments. As Firmicutes decreased until to thermophilic phase, Proteobacteria increased in t... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 2. Permanent magnets found in front speakers of Ford F-150 trucks. (1) 2010 model year (NdFeB), and (2) 2015 model year (Ferrite). | [] | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 1. Configuration of a typical TFT type LCD panel. | ["Demands for liquid crystal display (LCD) panels have widely accelerated as monitoring screen for personal and laptop comput- ers, flat-panel televisions and cell phones. Consequently, with the increase in usage, LCD panels from old electrical equipment are expected to end up as a massive amount of e-waste. Fig. 1 show... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 5. Scanning electron microscopy of two-step enzymatic treatment of fabric. Images correspond to 100% wool knit (A), 100% wool woven (B), 45/55% wool/polyester woven (C), and 70/30% wool/polyester knit (D) fabrics after two-step treatment with 4 KU/mL of protease in the presence of 2% sodium thioglycolate. The cont... | ["Fabric samples enzymatically treated in a two-step process at 50 C with 4 KU/mL of protease in the presence of 2% sodium thio- glycolate were analysed by scanning electron microscopy (SEM) (Fig. 5). This treatment condition was selected based on it deliver- ing the highest level of breakdown for all fabric types. Com... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"legend": "A", "item": [{"type": "figure", "bbox": [0.0049, 0.03, 0.2498, 0.2443]}, {"type": "figure", "bbox": [0.2521, 0.0352, 0.4971, 0.2443]}, {"type": "figure", "bbox": [0.5012, 0.03, 0.7469, 0.2443]}, {"type": "figure", "bbox": [0.7494, 0.0363, 0.9959, 0.2443]}]}, {"legend": "B", "item": [{"type": "figure", "bbo... | |
Fig. 3. Decomposing the composite MSW performance scores of the BCR and its peers. | ["Fig. 3a and b respectively present the 95% confidence intervals of the mean EIk’s and the mean IIk’s as computed by the robust ver- sions of the BoD model for the NUTS2 regions in the sample. The intervals for the BCR and the 16 regions with similar contextual characteristics highlighted in red. Fig. 3a shows that the... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"legend": "a)", "type": "chart", "bbox": [0.017, 0, 0.992, 0.4621]}, {"legend": "b)", "type": "chart", "bbox": [0.0183, 0.5156, 1.0, 0.9774]}] | |
Fig. 3. Sensitivity analysis in four systems of pig manure management. S1 = partial energy production; S2 = total energy production; S3 = biogas flaring, and S4 = conventional management. The bars are net impacts; the bottom of the error bar represents the lower scenario of 1% of non-intentional biogas leaks and 5% of ... | ["In the scenario with the lowest values of non-intentional and digestate storage emissions, net impacts on CC are obtained in the systems with energy production (S1 and S2) of 138 and 128 kg CO2eq, respectively (Fig. 3a). These results brought up a decrease of more than 50% of the total CO2eq compared to the orig- ina... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"legend": "a) Climate change (GWP100a)", "type": "chart", "bbox": [0.0093, 0.0294, 0.4584, 0.3292]}, {"legend": "b) Photochemical oxidation", "type": "chart", "bbox": [0.5396, 0.0278, 0.9941, 0.3231]}, {"legend": "e) Fossil resource depletion", "type": "chart", "bbox": [0.0098, 0.3631, 0.4627, 0.6813]}, {"legend": "f... | |
Fig. 1. Continuous composting feed material, apparatus and compost product. | ["As can be observed in Table 1, the pH of FVW was relatively low, 3.82, while both the dewatered sludges used had higher pH (Table 3), as they were produced from an anaerobic process (Möller and Müller, 2012). All the materials had high initial mois- ture content, which was controlled with the addition of pellet for t... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 2. Correlation matrix between the basic density, total extractives content and colorimetric parameters of the wood specimens. | ["The color of wood is also influenced by its moisture, the quan- tity and type of extractives, the region in the trunk where the wood was cut, and the processes of oxidation and biotic deterioration, which can occur from the influence of moisture and UV radiation (Andrade et al., 2015; Matsuo et al., 2011; Sonderegger e... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 3. Paired comparison to evaluate the effect of recycling bin design on cap removal encouragement and contamination decrease. | ["In order to evaluate the effect of each design item on cap removal ratio and recycling contamination ratio, three recycling bin designs including the same target design item were grouped for a statistical test. For example, in order to investigate the effect of ‘‘separated” bin design, a group of type 1, 2, and 3 wer... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"legend": "Type2", "item": [{"type": "figure", "bbox": [0.2482, 0.0581, 0.3463, 0.1946]}, {"type": "figure", "bbox": [0.2759, 0.2126, 0.3258, 0.2832]}, {"type": "figure", "bbox": [0.3828, 0.2126, 0.4318, 0.2854]}, {"type": "figure", "bbox": [0.5128, 0.0049, 0.998, 0.2957]}, {"type": "figure", "bbox": [0.2764, 0.3751,... | |
Fig. 5. ROC curves for the validation and test sets, including metal (blue curve), glass (orange curve), and the macro-average of both (dotted line), generated from testing the model with every possible threshold and reporting the corresponding true positive and false positive rates. The respective AUCs are indicated i... | ["Fig. 5 shows the receiver operating characteristics for M-1 for both the validation- and test sets. The AUCs near 100% show that there is little trade-off between the true positive- and false positive rate when tuning the threshold, such that a high recall can be achieved without sacrificing a significant amount of pre... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "chart", "bbox": [0.0004, 0, 0.4899, 1]}, {"type": "chart", "bbox": [0.531, 0, 0.999, 1]}] | |
Fig. 3. The single-score environmental impact of production and incineration of the 25 selected polymers per kg, in €. Value obtained by converting all impact categories with a shadow price set and aggregating the values to a single score outcome. (A) The absolute environmental impact, split into the contribution of po... | ["The single score environmental impact per polymer type varies when polymer production and incineration as waste treatment are visualized (Fig. 3a). The environmental impact is mainly caused by production of the polymer rather than by incineration. Hence, a cir- cular recycling technology should focus on quality and q... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"legend": "A", "type": "chart", "bbox": [0.009, 0, 1, 0.4625]}, {"legend": "B", "type": "chart", "bbox": [0.0028, 0.4931, 0.99, 0.9708]}] | |
Fig. 1. VFA concentration trends in the thermophilic batch tests A1-A2-A3 (a) under initial pH 5, 7 and 9; mesophilic batch tests B1-B2-B3 (b) under initial pH 5, 7 and 9; mesophilic batch tests with thermal pre-treatment C1-C2-C3 (c) under initial pH 5, 7 and 9. | ["Fig. 1 shows the VFA concentrations in the thermophilic (A), mesophilic (B) and pre-treated mesophilic (C) batch tests, which have been performed at initial pH value of 5.0 (1), 7.0 (2) and 9.0 (3). In terms of VFA production rates and yields, the mesophilic condition was better performing. Some literature studies re... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"legend": "(A)", "type": "chart", "bbox": [0.0088, 0.0066, 0.9943, 0.3111]}, {"legend": "(B)", "type": "chart", "bbox": [0.0031, 0.3506, 0.9929, 0.6546]}, {"legend": "(C)", "type": "chart", "bbox": [0.008, 0.6918, 0.9911, 0.9975]}] | |
Fig. 2. MCDA decision tree for the four aspects of the FEWH nexus. (The allocation of the impacts to the different nexus aspects is the same as in the base case for the nexus methodology (see Table 1). The values in brackets represent the weights assumed for the aspects and the impacts, based on equal importance of eac... | ["An alternative method for estimating the total environmental impact within the FEWH nexus would be to use one of the multi-criteria decision analysis (MCDA) methods instead. To explore how the proposed nexus method compares to MCDA and whether the results of the illustrative case study differ between the two, multi-a... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 7. Distribution profiles for relative abundances (base-10 logarithm) of ARGs detected in three treatments during the incubation period. (Abbreviations: S: control soil; SR: amended soil with raw PMR; ST: amended soil with treated PMR). | ["On the one hand, the alteration of soil properties caused the succession of microbial community and the changes of mobile genetic elements, thus affecting the horizontal gene trans- fer of ARGs (Zhu et al., 2019); on the other hand, that affect the sorption and desorption of antibiotics in soil and the accumulation o... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 2. Chemical oxygen demand (COD), total organic carbon (TOC), and ammoni- acal nitrogen (NH3-N) removals at the end of each step of the ScWO (700 C)/zeolite treatment evaluated for the second and third raw leachate samples (RL2 and RL3). | [] | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 11. Rotational stationary rheometry for aqueous suspensions with 57 wt% (37 vol%, water/solid ratio of 0.75), 54 wt% (34 vol%, water/solid ratio of 0.85), and 51 wt% (31 vol%, water/solid ratio of 0.95) of AAW. | ["The rheological curves show the results of rotational stationary rheometry for aqueous suspensions with different concentrations of solids in AAW after being dried and milled. As shown in Fig. 11, even with high water content, AAW can develop flowability with lower water content of 49–43 wt% after previous processing ... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 6. Relationship between pressure drop and feed flow rate. | [] | null | Ecology | ["Environment"] | Waste Management | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 7. Influence of the impact factor of journals on inoculant effects: (a) carbon, (b) nitrogen, (c) C-to-N ratio, (d) total phosphorus, (e) cellulose, (f) hemicellulose, (g) lignin and (h) humic content of final compost. IF: impact factor of journals. The number of observations in each class is shown in parentheses.... | ["In line with previous authors, the higher effect sizes were also found to be published in journals with higher impact factors, par- ticularly for carbon content, nitrogen content and C/N ratio (Fig. 7). In contrast, experiments showing a non-significant effect of micro- bial inoculants were published in journals with ... | null | Ecology | ["Environment"] | Waste Management | null | null | [{"legend": "a", "type": "chart", "bbox": [0.0143, 0.0396, 0.4748, 0.4363]}, {"legend": "b", "type": "chart", "bbox": [0.5525, 0.0427, 0.9832, 0.4363]}, {"legend": "d", "item": [{"type": "chart", "bbox": [0.0118, 0.5507, 0.5017, 0.991]}, {"type": "chart", "bbox": [0.5558, 0.5613, 0.9865, 0.9919]}]}] | |
Figure 7. Probability of freedom from (A) death (censored at transplantation), (B) transplantation, and (C) death or transplantation among 152 children with restrictive cardiomyopathy (RCM) stratified by phenotype (pure RCM vs mixed or overlapping RCM and hypertrophic cardiomyopathy [HCM] phenotypes). CM indicates card... | ["Children with RCM have the worst outcomes of any pediatric cardiomyopathy group. About two-thirds of children with RCM have a pure phenotype, and the rest present with a mixed RCM-HCM phenotype.385 Both groups have similar 5-year mortality rates of 20% to 28%, but children in the pure RCM group are more likely to und... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "A", "type": "chart", "bbox": [0.0067, 0.0131, 0.4981, 0.5012]}, {"legend": "B", "type": "chart", "bbox": [0.5054, 0.019, 0.9946, 0.4481]}, {"legend": "C", "type": "chart", "bbox": [0.2572, 0.5017, 0.7473, 0.9949]}] | |
Figure 14. Opioid-Associated Emergency for Healthcare Providers Algorithm. AED indicates automated external defibrillator; and BLS, basic life support. | [] | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
FIGURE 3. Incidental note is made of abnormal channel/jet of contrast (arrow) across the interatrial septum from the left atrium to the right atrium. | ["Paradoxical air embolism occurs when air transmits from the venous circulation directly to the arterial circu- lation. This type of embolism can occur via a PFO, an atrial septal defect, or via other types of right to left shunts such as arteriovenous shunting in the lungs. A PFO is a congenital defect present in ∼25... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 4. Case excess of rare variants in genes significantly enriched in dilated cardiomyopathy (DCM). The excess burden of rare protein-altering variation (above the population background rate) provides an estimate of the proportion of cases attributable to varia- tion in each gene under a dominant monogenic inherita... | ["The total excess burden of rare variation in each gene provides an estimate of the eventual diagnostic yield that might be achieved with optimum variant in- terpretation. Of note, TTN accounts for ~11% of DCM cases in these cohorts, whereas each other gene con- tributes ~0.3% to 3% (Figure 4). Detailed results of all... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "A", "type": "chart", "bbox": [0.0021, 0.0213, 0.9958, 0.4644]}, {"legend": "B", "type": "chart", "bbox": [0.0, 0.4867, 0.9958, 1]}] | |
Supplemental Figure 3. Literature strategy to identify possible proteins involved in both post myocardial infarction and tumorigenesis. | ["Assessment of tumor growth in mice with transplanted hearts with HF A similar sacrifice protocol as described before was performed and intestinal polyps were counted and measured. Significantly more (55 vs 39; Fig. 3a; P<0.01) and larger polyps (1.97mm vs. 1.51mm; Fig. 3b; P<0.01) were observed in mice receiving an H... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 2. X-ray, electrocardiogram, and echo- cardiographic findings in case 2. (a) X-ray of anteroposterior view (right) and lateral view (left). The epicardial atrial lead (red circle) is implanted in the left-sided atrial appendage. (b) Twelve-lead electrocardiogram at the setting of sAVI at 30 ms. The origin of the... | ["This was a case of a 26-year-old male patient with left atrial isomerism, dextrocardia, mitral atresia, double-outlet right ventricle, and status post Fontan operation using an intra-atrial graft. He had no history of tricuspid valvuloplasty. The epicardial leads were implanted because of a high-grade atrioventricula... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "(a)", "type": "figure", "bbox": [0.0061, 0.0377, 0.5864, 0.2968]}, {"legend": "(b)", "type": "figure", "bbox": [0.627, 0, 0.951, 0.3554]}, {"legend": "(c)", "item": [{"type": "figure", "bbox": [0.036, 0.3712, 0.4527, 0.5376]}, {"type": "figure", "bbox": [0.5044, 0.3728, 0.9926, 0.5387]}, {"type": "figure",... | |
Figure 4. Change in angina versus change in ischemia in ischemia with no obstructive coronary artery disease, in relation to 1-year stress echocardiography findings. A and B show SAQ scores at enrollment (SAQ AF score [A] and SAQ summary score [B]), 6 months, and 1 year in relation to improvement in the number of ische... | ["There was no relationship between 1-year change in angina and 1-year change in ischemia in CIAO as measured by the number of segments on stress echocardiography with stress-induced wall motion abnormalities (Figure 4)."] | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "A", "type": "chart", "bbox": [0.0304, 0.0153, 0.5008, 0.4497]}, {"legend": "B", "type": "chart", "bbox": [0.526, 0.0122, 1.0, 0.4545]}, {"legend": "C", "type": "chart", "bbox": [0.0023, 0.5102, 0.4872, 0.987]}, {"legend": "D", "type": "chart", "bbox": [0.5056, 0.5097, 0.9936, 0.9951]}] | |
Figure 5. Known and interpretable classes of genetic variants in dilated cardiomyopathy (DCM). The case excess (the difference in rare variant prevalence between cases and controls) provides an estimate of the contribution of a gene/variant class to DCM (proportion of cases explained by that gene/variant class) and is ... | [] | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 1. High glucose- and insulin-induced mitsugumin 53 (MG53) release in Langendorff-perfused rodent hearts. A and B, Representative Western blots (top) and averaged data (bottom) showing that high glucose increased MG53 levels in perfusate in a time- and concentra- tion-dependent manner in isolated perfused rat hea... | ["We first determined whether MG53 is released into the extracellular fluid and subsequently enters circulation in a regulated fashion. In the isolated rodent hearts under Langendorff perfusion with modified Krebs-Henseleit solution, we detected robust MG53 release by Western blotting analysis of the outlet perfusate a... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "A", "type": "figure", "bbox": [0.0169, 0.0432, 0.2446, 0.4801]}, {"legend": "B", "type": "figure", "bbox": [0.2652, 0.0468, 0.5071, 0.4776]}, {"legend": "C", "item": [{"type": "figure", "bbox": [0.5133, 0.0478, 0.7554, 0.2775]}, {"type": "chart", "bbox": [0.5147, 0.286, 0.7113, 0.4748]}]}, {"legend": "D", ... | |
Figure 6. Coronary flow reserve (CFR) measurement in patients with angina and nonobstructive coronary artery disease (NOCAD). Low CFR can arise via 2 distinct microvascular dysfunction endotypes, classified using hyperemic microvascular resistance. Functional and structural microvascular dysfunction (MVD) endotypes hav... | ["The pathophysiological changes of diminished coronary flow reserve in NOCAD are summarized in Figure 6."] | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 5. The relationship of achieved LDL-C and major adverse limb events. Adjusted relationship between achieved LDL-C at 1 month and major adverse limb events (acute limb ischemia, major am- putation, or urgent revascularization) in the overall population. P=0.026 for the beta coefficient. LDL-C indicates low-densit... | ["Overall, lower achieved LDL-C was associated with a significantly lower risk of MALE with a roughly linear relationship down to LDL-C of 10 mg/dL (P=0.026 for the beta coefficient) with consistent patterns in patients with PAD and those with PAD and no prior MI or stroke (Figure 5, Figure VII in the online-only Data ... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 2. Anaortic coronary bypass surgery. A, Left internal thoracic artery (LITA) to left anterior descending (LAD) and right internal thoracic artery (RITA) to right coronary artery. B, Composite LITA-radial artery (RA) graft to LAD and posterior descending artery (PDA) and RITA to obtuse marginal (OM). C, LITA to L... | ["An anaortic technique is achievable in select patients and by experienced surgeons using an off-pump strategy that bases all grafts off in situ arterial inflows (internal thoracic or gastroepiploic; Figure 2). If cardiopulmonary bypass (CPB) is used, the use of a single-clamping technique has been associated with re-... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "A", "type": "figure", "bbox": [0.0079, 0.0235, 0.3086, 0.9362]}, {"legend": "B", "type": "figure", "bbox": [0.3304, 0.0153, 0.6387, 0.9379]}, {"legend": "C", "type": "figure", "bbox": [0.6537, 0.0135, 0.9968, 1]}] | |
Figure 2. Relationship of treatment difference in Seattle Angina Ques- tionnaire (SAQ) angina frequency score at follow-up to prerandomiza- tion stress echocardiography score by randomization arm. There is a significant interaction between stress echocardiography score and Seattle Angina Frequency score with a progress... | ["Paired SAQ angina frequency data were available for 176 patients in the stress echocardiography–stratified analysis of ORBITA (96 in the PCI arm and 80 in the placebo arm). Overall, there was little evidence that PCI improved angina frequency score more than placebo (odds ratio [OR], 1.68 [95% CI, 0.96–2.95], P=0.069... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 1. Postischemic treatment with anti-IL-1α antibody limits cerebral infarct size and lessens neurological deficit after transient middle cerebral artery occlusion through blunted endothelial activation and inflammation. A, Cerebral IL-1α (interleukin-1α) concentration rose in ipsilateral hemisphere of mice underg... | ["In control antibody-treated mice exposed to tMCAO, tissue IL-1α levels rose in the ipsilateral hemisphere underscoring the pathophysiological relevance of this cytokine for stroke (Figure 1A). After 48 hours of reperfusion, mice treated with the lower dose of the anti–IL-1α antibody showed a minor reduction in infarc... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "A", "type": "chart", "bbox": [0.0201, 0.0572, 0.2163, 0.2731]}, {"legend": "B", "type": "chart", "bbox": [0.2422, 0, 0.4609, 0.2962]}, {"legend": "C", "type": "chart", "bbox": [0.4892, 0.0579, 0.7119, 0.27]}, {"legend": "D", "type": "chart", "bbox": [0.743, 0.0572, 0.9696, 0.2695]}, {"legend": "E", "type":... | |
Figure 2. Reduced incidence of aortic aneurysm and dissection (AAD) and preserved aortic structure and contractile ability in challenged Sting- deficient (Stinggt/gt) mice. Wild-type (WT) mice and Stinggt/gt mice were unchallenged or challenged with a high-fat diet for 8 weeks and angiotensin II infusion (2000 ng/min/k... | ["In WT mice challenged with a HFD and AngII, we ob- served marked aortic degeneration (Figure 2A and 2B), diameter enlargement (Figure 2C), dilatation (98%), AAD (including aortic aneurysm, dissection, and rupture; 82%), severe AAD (including dissection and rupture; 58%), and rupture (24%; Figure 2D). In sharp contras... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "A", "type": "figure", "bbox": [0.0712, 0.0191, 0.9208, 0.3707]}, {"legend": "C", "type": "chart", "bbox": [0.0024, 0.3763, 0.5, 0.6631]}, {"legend": "B", "item": [{"type": "chart", "bbox": [0.5412, 0.4054, 0.9896, 0.6433]}, {"type": "chart", "bbox": [0.0248, 0.6723, 0.488, 0.9774]}, {"type": "chart", "bbox... | |
Figure 3. Risk bias of summary. Judgments about each risk of bias item for each included trials. Green indicates low risk of bias. Yellow indicates unclear risk of bias. Red indicates high risk of bias. | [] | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 2. Example of 2 demographic variables that show the similarity between the three endotypes despite being stratified by clinical outcome severity using physiologic time series variables. a) Proportion of diagnoses patients in each endotype received during their IcU stay. b) Boxplot of patient age in each endotype... | ["Background: Myocardial injury in patients with Covid-19 is associated with systemic inflammation and increased mortality. The primary hypothesis of this proof-of-concept randomized trial is to determine whether IL-1β inhibition with canakinumab can shorten time to recovery. Methods: In this double-blind trial, 45 pat... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"legend": "a)", "type": "chart", "bbox": [0.0099, 0.0191, 0.9711, 0.4744]}, {"legend": "b)age between clusters", "type": "chart", "bbox": [0.0262, 0.4903, 0.9233, 0.9809]}] | |
Figure 2. The 12-lead ECG with the low-pass filter adjusted from 150 Hz to 20 Hz. Adjusting the low-pass filter eliminates the unwanted electromagnetic artifact (40 Hz) from the HeartMate 3 left ventricular assist device, allowing for a confident interpretation of the underlying rhythm. The characteristic sawtooth flut... | ["The ECG demonstrates a regular narrow complex tachy- cardia that is not easily discernable because of artifact produced from the HeartMate 3 LVAD. Adjusting the low-pass filter threshold from 150 Hz to 20 Hz helps eliminate this unwanted electromagnetic signal and al- lows for interpretation of the underlying atrial ... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Fig. 4 Amplification curves of Herba Anoectochili and its adulterants. A: A. roxburghii; B: A. formosanus; C: L. discolor; D: G. schlechtendaliana between the precious herb Herba Anoectochili and its adul- terants, thereby promoting the clinical medication safety of Herba Anoectochili, and providing a rapid identificat... | [] | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 1. Number of new diagnoses of cardiac transthyretin amyloidosis by year according to genotypic subgroup. ATTR-CM indicates transthyretin cardiac amyloi- dosis; ATTRwt-CM, wild-type ATTR amyloidosis; V122I-hATTR-CM, V122I-associated hereditary ATTR amyloidosis; and non-V122I-hATTR- CM, non-V122I-associated heredi... | ["There was no difference in disease- related parameters or disease severity between patients with ATTR-CM who were included and excluded from the study. Of the study patients with non-V122I-hATTR- CM, the majority (n=97, 83%) had the T60A variant, although other pathogenic variants were represented; 96% of patients wi... | null | Medicine | ["Medicine"] | Circulation | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 4. Characterization of PTX-loaded magnetic PLGA microspheres. (A) Optical photographs of PTX-loaded magnetic PLGA microspheres prepared with differ- ent flow velocities (Qo/Qm/Qi). (B) The size analysis results of the optical photograph. (C-F) The FTIR spectra of oleic acid bonded Fe3O4 nanoparticles (C, orange)... | ["In this study, we also precisely controlled the size of micro- spheres by employing different flow rate of outer phase (Qo), intermediate phase (Qm), and inner phase (Qi). We found that when holding the overall flow velocity and Qo but adjusting the Qi and Qm, the size showed no significant dif- ference (Figure 4(A,B... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "type": "chart", "bbox": [0.0177, 0.0139, 0.9664, 0.2108]}, {"legend": "(B)", "type": "chart", "bbox": [0.0293, 0.2627, 0.2935, 0.6142]}, {"legend": "(C)", "type": "chart", "bbox": [0.3584, 0.262, 0.6166, 0.611]}, {"legend": "(D)", "type": "chart", "bbox": [0.6824, 0.2627, 0.939, 0.611]}, {"legend": ... | |
Figure 3. The release profiles of native enrofloxacin and enrofloxacin-loaded docosanoic acid SLN suspension in pH 1.2 and 7.4 PBS buffers. ENR: Native Enrofloxacin; DAS: Enrofloxacin-loaded docosanoic acid SLN suspension. | ["After intramuscular injection of the nanosuspension, the pigs did not show any abnormal clinical sign of pain or discom- fort. No signs of inflammation were observed throughout the study. No macroscopic lesion and pathological changes at the injection site were detected through the necropsy and pathological studies (... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 1. Schematic description of modified nanocrystals by using different preparation and downstream processes for various tailor-made drug deliveries. | ["This review will mainly focus on the most recent develop- ment of drug nanocrystals regarding as novel specific aims of drug delivery or modified in vitro as well as in vivo per- formances based on some new preparation technologies or downstream processes (Figure 1), as most research publica- tion in recent years abo... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 3. (A) ERG examinations showed that intravitreal melatonin at high dosage would impaire the visual function of mice. (B) The amplitudes of ERG a- and b- wave 400 and 500 mg/kg groups declined significantly compared with normal controls (ANOVA analysis followed by Bonferroni's post hoc analysis was performed, p< ... | ["The visual acuity and contrast sensitivity were not significantly different between the vehicle, 100, 200, and 300 mg/kg groups (p > .05; n¼ 10; Figure 2(C)). The visual acuity and contrast sensitivity of the 400 and 500 mg/kg groups declined significantly compared with normal controls (p< .01; n¼ 10; Figure 2(D)). I... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "type": "figure", "bbox": [0.0031, 0.0108, 0.4696, 0.9211]}, {"legend": "(B)", "item": [{"type": "chart", "bbox": [0.5226, 0.0086, 0.7258, 0.5319]}, {"type": "chart", "bbox": [0.7734, 0.013, 0.9859, 0.5402]}, {"type": "chart", "bbox": [0.521, 0.5341, 0.7258, 0.9895]}, {"type": "chart", "bbox": [0.776... | |
Figure 4. Effect of CaCl2 on the transfection of Jurkat cells analyzed by flow cytometer at 96 hpt. (a, b, c, e) "CO" is a cell only control; "0", "1", "2", "5", "10", and "25" are polyplex formulations with 0-, 1-, 2-, 5-, 10-, and 25 mM CaCl2, respectively. (d) Split view of a GFP expressing Jurkat cell from "10" cap... | ["We proceeded to evaluate the effects of calcium chloride on the transfection efficiency of PEI-based polyplexes on Jurkat cells. Compared to the cell only (CO) group, PEI polyplex without any calcium chloride (0 mM) induced GFP expression in a very small population around 0.6% (Figure 4(a,e)). It was intriguing to ob... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(a)", "type": "chart", "bbox": [0.0331, 0.0136, 0.2309, 0.5333]}, {"legend": "(b)", "type": "chart", "bbox": [0.2812, 0.0116, 0.491, 0.5393]}, {"legend": "(c)", "type": "chart", "bbox": [0.5452, 0.008, 0.7558, 0.5276]}, {"legend": "2", "type": "chart", "bbox": [0.0031, 0.6458, 0.1487, 1]}, {"legend": "(d)"... | |
Figure 1. Physicochemical characteristics of functionalized Au-TiO2@CPT-11 and PLGA-Au-TiO2@CPT-11. (A) IR spectrum of Au-TiO2@CPT-11 and PLGA-Au- TiO2@CPT-11. (B) XPS analysis of PLGA-Au-TiO2@CPT-11. (C) N2 adsorption/desorption isotherms. (D) SEM image of PLGA-Au-TiO2@CPT-11. Scale bar 200 nm. (E) TEM images and size... | ["The infrared spectroscopy investigations are used to evaluate the coordination modes of the nanoparticles (Figure 1(A)). The UV–vis displays the significant peaks, that show 3417.68 and 1567 C¼O, and C¼N frequencies are indicating the formation of conjugate of the PLGA. The free PLGA-Au- TiO2@CPT-11 does not show the... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(a)", "type": "chart", "bbox": [0.0039, 0.0042, 0.3103, 0.4455]}, {"legend": "(B)", "type": "chart", "bbox": [0.3336, 0.0042, 0.6553, 0.4567]}, {"legend": "(C)", "type": "chart", "bbox": [0.683, 0.0056, 1, 0.4581]}, {"legend": "(D)", "type": "figure", "bbox": [0.0071, 0.5517, 0.2942, 1]}, {"legend": "(E)",... | |
Figure 3. In situ single-pass intestinal perfusion (n = 3). Ka (A) and Papp (B) of duodenum, jejunum, ileum and colon. ( p < .05, p < .01, p < .001). | ["The absorption of DTX solution, DTX SNEDDS and co-loaded SNEDDS in four intestinal segments was investigated by SPIP. As indicated in Figure 3(A,B), Ka and Papp values of co-loaded SNEDDS were obviously higher compared with DTX solution and DTX SNEDDS in every intestinal segment (P < 0.05). Ka values of DTX SNEDDS sh... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "type": "chart", "bbox": [0.0085, 0.0257, 0.9839, 0.5011]}, {"legend": "(B)", "type": "chart", "bbox": [0.0035, 0.5376, 0.9924, 0.999]}] | |
Figure 4. The cell viability revealed by MTT assay after MGC-803 cells treated with HN/CDDP or HN/OA at different CDDP (A) or OA (B) concentrations for 48 and 72 h. (C) The CI of HN/CDDP/OA treated MGC-803 cells for 72 h at different CDDP/OA ratios (w/w). (D) The in vitro anticancer effect of HN/CDDP/OA (CDDP:OA = 10, ... | ["Next, the in vitro anticancer beneficial of HN/CDDP/OA was studied using MTT assay. As shown in Figure 4(A and B), mono delivery system showed certain beneficial on MGC-803 cells as supported by the concentration-dependent decrease of cell viability. The calculated IC50 for CDDP alone was 4.76lM (48h) and 2.63 lM (72... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "type": "chart", "bbox": [0.0083, 0.0071, 0.4683, 0.4862]}, {"legend": "(B)", "type": "chart", "bbox": [0.5355, 0.0058, 0.9941, 0.4823]}, {"legend": "(C)", "type": "chart", "bbox": [0.0088, 0.549, 0.5, 0.9898]}, {"legend": "(D)", "type": "chart", "bbox": [0.535, 0.5246, 0.9941, 1]}] | |
Figure 1. Characterization of micelles. The size distribution of PCDMA (A), PDMA (B), and PCSA(C) in PBS at pH 7.4. (D) Size changes of PCDMA after incubation with or without 10 mM H2O2 for different time. PPT (E) and CuB (F) release from PCDMA under different ROS conditions or pH conditions. Data are shown as mean ± S... | ["The two amphiphilic block copolymer prodrugs, MPEG-b- PLL-TKPPT/DMA and MPEG-b-PLL-TKPPT/SA, can self-assem- ble into polymeric micelles in an aqueous solution. Critical micelle concentration (CMC) value of MPEG-b-PLL-TKPPT/ DMA and MPEG-b-PLL-TKPPT/SA detected using Nile Red as the probe was as low as 18.5 and 16.7 ... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "type": "chart", "bbox": [0.0127, 0.0152, 0.3381, 0.4796]}, {"legend": "(B)", "type": "chart", "bbox": [0.3435, 0.0176, 0.6656, 0.4796]}, {"legend": "(C)", "type": "chart", "bbox": [0.6803, 0.0143, 1, 0.4799]}, {"legend": "(D)", "type": "chart", "bbox": [0, 0.5258, 0.3242, 0.9942]}, {"legend": "(E)",... | |
Figure 1. Steps in atherosclerosis initiation and progression: Atherosclerosis is characterized by a yellow color lesion formation. LDL gets converted to Ox-LDL after reaction with reactive oxygen species (ROS). Monocytes travel through leaky endothelium and differentiates into macrophages. Macrophage assimilates the O... | ["Atheroma progression is mediated by smooth muscle cell migration and proliferation along with the activation of nuclear factor-kappa B cells (NF-j B), and release of inflam- matory cytokines interleukin-1b (IL-1b), tumor necrosis factor- a (TNF-a), IL-6, as well as CC-chemokine ligand 5 (CCL5), CXC motif-chemokine li... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 6. In vivo thermal imaging and combined cancer therapy effect of BSA-IrO2@DOX NPs. (A) Infrared thermographic maps and (B) time-dependent tempera- ture changes in the Saos-2 tumor-bearing nude mice after treatment with control (PBS þ laser), BSA-IrO2þlaser, and BSA-IrO2@DOX þ laser. (C) Tumor growth curves of Sa... | ["Illuminated by the in vitro appreciable results, the possibil- ities of using the BSA-IrO2@DOX NPs as a synergistic thera- peutic nanoplatform for in vivo application was further explored. To do this, we first established the Saos-2 xeno- graft tumor model and the mice were randomized into 6 groups: control, BSA-IrO2... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "type": "figure", "bbox": [0.0077, 0.0188, 0.3708, 0.5957]}, {"legend": "(B)", "type": "chart", "bbox": [0.3957, 0.0107, 0.6596, 0.2883]}, {"legend": "(D)", "type": "chart", "bbox": [0.4138, 0.3131, 0.6612, 0.6082]}, {"legend": "(C)", "type": "chart", "bbox": [0.7206, 0.0096, 0.9891, 0.2932]}, {"lege... | |
Figure 4. TC-E-5003 and TC-E-5003-INEI showed stronger activity to induce A549 cells apoptosis and cell necrosis. (A) A549 cells were stimulated with TC-E5003 (0.6 mM) for 3 h, 48 h and 96 h, then cells were stained using propidium iodide (PI) and annexin V and analyzed by fluorescence-activated cell sorting (FACS). (B... | ["Figure 3(A–E). Herein, flow cytometry was used to test whether TC-E-5003 and TC-E-5003-INEI showed stronger activity to induce A549 cells apoptosis and cell necrosis. As shown in Figure 4, TC-E-5003 induce apoptosis of A549 cells and resulted in significantly higher cell necrosis rates (89.5%) in comparison with the ... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "item": [{"type": "chart", "bbox": [0.005, 0.0006, 0.3358, 0.4628]}, {"type": "chart", "bbox": [0.337, 0.0013, 0.6677, 0.4628]}, {"type": "chart", "bbox": [0.6661, 0.0074, 0.9953, 0.4628]}]}, {"legend": "(B)", "item": [{"type": "chart", "bbox": [0.0063, 0.5318, 0.3393, 0.9976]}, {"type": "chart", "bb... | |
Figure 9. Cytotoxicity of different drug formulations in HNE1 and HNE1/DDP cells by MTT assays. Free DAS and THD-NPs on HNE1 (left panel) and HNE1/DDP (right panel) after 24 h and 48 h. The data represented as the mean ± SD (n = 3). p < .001, p < .01, and p < .05. | ["It is suggested that THD-NPs have more significant cytotoxic effects on the two cell lines (Figure 9; Table 2)."] | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"type": "chart", "bbox": [0.0182, 0.0012, 0.4646, 0.4815]}, {"type": "chart", "bbox": [0.4807, 0.0034, 1, 0.482]}, {"type": "chart", "bbox": [0.0835, 0.5191, 0.4677, 0.9976]}, {"type": "chart", "bbox": [0.4831, 0.5157, 1, 0.9964]}] | |
Figure 3. The classification of cephalosporins based on their generations and spectrum of activity. | ["Cephalosporins belong to the β-lactam antibiotics. They are naturally derived from fungi, Acremonium. Cephalosporins are classified into five generations, as described in Figure 3. The first generation of cephalosporins is active against Gram-positive bacteria, whereas other generations have higher activity against G... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 9. Pharmacokinetic profiles of dapagliflozin (DN) after a single oral administration of formulation (F1-SNEDDS: BSO/CMCM/CrEL [15/35/50%w/w]) and con- trol (marketed drug) to male Wister rats at a dose equivalent to 6 mg/kg dapagliflozin (Mean ± SEM, n = 6). denotes the significance as p < .05. Cmax: peak of max... | ["The in vivo pharmacokinetic behavior of the representative F1- SNEDDS formulation was studied to quantify DN at the present investigation in rat plasma after oral administration. DN is reported in this study to be well absorbed after oral administra- tion, with peak plasma levels attained within 4h. Figure 9 showed t... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "type": "chart", "bbox": [0.0124, 0.0115, 0.3197, 0.3194]}, {"legend": "(B)", "type": "chart", "bbox": [0.3596, 0.0115, 0.6474, 0.3202]}, {"legend": "(C)", "type": "chart", "bbox": [0.6989, 0.0112, 0.9991, 0.3199]}, {"legend": "(D)", "type": "chart", "bbox": [0.0129, 0.348, 0.3046, 0.6579]}, {"legend... | |
Figure 4. Nanotechnology and targeted drug delivery: Schematic representation of a nano-drug delivery system encapsulated with active molecules and surface modified with different targeting moieties having both therapeutic and diagnostic abilities. | ["Adjustments made to the NDDS to improve their bio- availability, biocompatibility, drug loading efficacy, and surface modifications will cater to the specific biomedical applications (Qiu & Bae, 2006). NPs provide an environment for the incorporation of hydrophilic and hydrophobic agents in a polymeric core or into t... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 5. Corneal permeation results in mouse eyes. (A) Cou6 concentration in corneas after administration with 4 eye drops, 5 ml each, 10 min apart. ( compared to the free Coumarin-6 [Cou6] p<.05, n = 8). (B) Fluorescence microscope observation of cornea sections, bar = 10 lm. | ["Quantitative corneal permeation results are shown in Figure 5(A). The Cou6 concentrations in mouse corneas treated with the Cou6-labeled Myr micelle ophthalmic solution were sig- nificantly increased and were 4.36-, 2.54-, and 2.54-fold higher when compared with those for the free Cou6 solution at the 30, 60, and 120... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(A)", "type": "chart", "bbox": [0.0641, 0.0078, 0.7949, 0.571]}, {"legend": "(B)", "item": [{"type": "figure", "bbox": [0.0071, 0.6175, 0.8791, 0.9991]}, {"type": "figure", "bbox": [0.7053, 0.619, 0.9935, 0.9946]}]}] | |
Figure 2. Flow cytometry assay of the cellular uptake of SPA under 4 C, chloroquine (CQ), chlorpromazine (CPZ), amiloride and methyl-b-cyclodextrin (MbCD) treatment. The control is the fluorescence of CHO cells treated with 10 lM FITC-SPA at 37 C for 1 h. p < .05 versus control, p < .01 versus con- trol, p < .001 versu... | ["Low temperature can suppress the cellular uptake of CPPs by the endocytosis pathway (Richard et al., 2003). In this study, the result derived from flow cytometry showed that the uptake of SPA into CHO cells was strongly suppressed at 4 C (Figure 2), implying that the internalization of SPA involves active processes s... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"type": "chart", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 5. Cell viability in MCs after the treatment with different modified lipo- some. The results are expressed as means ± SD (n = 5). L: coumarin-6 loaded coventional liposomes; L-RCM: RCM-coated liposomes; L-TAT: coumarin-6 loaded TAT-modified liposomes; L-TAT-RCM: RCM-coated TAT-modified lipo- somes; L-PCM: coumar... | ["As shown in Figure 5, the results revealed that all liposomes were nontoxic to MCs at all concentrations, with a viability rate higher than 90% at 0.25 mg/mL."] | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 5. (A) Permeability coefficients at 20 min and 24h post PEFs application for 0-1000 V. At 100 V there is only partial recovery of barrier function and above 100 V deterioration of barrier function can be observed. (B) Fold increase in LDH levels (left axis, error bars are smaller than markers) and percentage of ... | ["In order to study the different effects of low and high PEFs on the integrity of the barrier, the permeability and TEER experiments were repeated using high PEFs ranging from 200 to 1400 V. The results are in accordance with the find- ings of the low voltage, meaning a plateau effect is observed at the high voltages.... | null | Pharmacy | ["Pharmacy"] | Drug Discovery Today | null | null | [{"legend": "(a)", "type": "chart", "bbox": [0.0037, 0.0134, 0.4824, 0.9866]}, {"legend": "(b)", "type": "chart", "bbox": [0.4945, 0.01, 0.9991, 0.9967]}] | |
Figure 2. Relationships among parameter γ, FPs, and the average AUC value for the DPNetinfer method in 10-fold cross validation when k = 2. Setting AUC ≤0.926 to blue, and AUC ≥0.936 to red. | ["This indicated that higher model performance should be tended to allocate initial resource to pathway nodes rather than substructure nodes and set bigger weighted values of drug−pathway associations than drug-substructure linkages. Subsequently, under the condition of k = 2, α = 0.1, and β = 0.1, the optimal value of... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 9. (a) Simulated DC as a function of timestep under various initiator concentration. (b) Measured curing kinetics of BPA(EO)10DA with 0.025, 0.05, 0.25, 0.5 and 1 wt % TPO polymerized under 161 mW/cm2 UV irradiation. (c) Evolution of DoC as a function of DC at various initiator concentration level. (d) Evolution... | ["4.3. Influence of Initiator Concentration. Figure 9a shows the simulated curing kinetics at various initiator concentration levels. The results show that the polymerization rate increased with initiator concentration. The same trends are exhibited in Figure 9b, which shows the curing kinetic curves derived from the ph... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"legend": "(a)", "type": "chart", "bbox": [0, 0.0007, 0.5459, 0.4511]}, {"legend": "(b)", "type": "chart", "bbox": [0.5595, 0.0041, 0.999, 0.4511]}, {"legend": "(c)", "type": "chart", "bbox": [0.0132, 0.5027, 0.4386, 0.947]}, {"legend": "(d)", "type": "chart", "bbox": [0.5779, 0.5041, 1, 0.9484]}] | |
Figure 4. Result building procedure for nilutamide on REAL Space. The top row represents selected elements from the processing order defining the relative location of each result. Below that, top scored results for fragments are selected and used for further result extension until all linkers are saturated. Selection f... | ["For each acyclic bond (a, b) of the query, two lists of intermediate fragment results with descending MCS-Size have been computed, one list considering the bond in direction from a to b, the other in the opposite direction from b to a. Following link compatibility, the results are grouped in pairs extending them with... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "molecule", "bbox": [0.0634, 0.8318, 0.1903, 0.8987]}, {"type": "molecule", "bbox": [0.0662, 0.9263, 0.1931, 0.996]}, {"type": "molecule", "bbox": [0.0707, 0.7249, 0.1998, 0.8028]}, {"type": "molecule", "bbox": [0.0624, 0.0041, 0.2231, 0.179]}, {"type": "molecule", "bbox": [0.4736, 0.8207, 0.6531, 0.996]}, {"... | |
Figure 7. Running average± SD (using 40 frames) of backbone RMSD analysis for native and 4-HNE modified ZU5-ANK-spectrin complexes. Complex ZU5-ANK-Spectrin (black), ZU5-ANK (K137*HNE)-Spectrin (blue), ZU5-ANK (K137/138*HNE)-Spectrin (magenta). | ["Molecular dynamics trajectories analysis of native and 4-HNE-modified ZU5-ANK-Spectrin complexes. Effects of 4-HNE-carbonylation on protein-protein interaction of the three ZU5-ANK-Spectrin complexes choose were examined according their behaviours in dynamic simulations performed by duplicated (1µS). Global effects we... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "chart", "bbox": [0.0094, 0.0031, 0.5031, 0.4975]}, {"type": "chart", "bbox": [0.5059, 0.0075, 0.9964, 0.5118]}, {"type": "chart", "bbox": [0.0059, 0.4807, 0.5036, 0.9945]}] | |
Figure 8. Creation of branched polymers using (a) ethylenediamine as the primary backbone and (b) benzene or polyester oligomer as branches. (c) Branched polymer with provided core and arms moieties. In this case, only one placeholder atom is used to signal PySoftK the region where a bond would be formed. | ["PySoftK builds this topology by employing the user-supplied atomic placeholder as an indicator of the number of branch points from the primary backbone present in this structure. Thus, for instance, a backbone with four placeholders will generate a model where four branches (arms) are attached at the regions on the b... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"legend": "(a)", "item": [{"type": "figure", "bbox": [0, 0.2954, 0.1743, 0.8968]}, {"type": "figure", "bbox": [0.2566, 0.1813, 0.5197, 0.3464]}]}, {"legend": "(b)", "item": [{"type": "figure", "bbox": [0.2762, 0.5144, 0.4901, 0.8591]}, {"type": "figure", "bbox": [0.7039, 0.0023, 0.9967, 0.4785]}]}, {"legend": "(c)", ... | |
Figure 3. Conformational dynamics of F627. (A) χ1 angle of the F627 side chain is shown as a function of time in the WT apo structure. (B) χ1 angle of the F627 side chain is shown as a function of time in the WT holo structure. | ["These structural changes are reminiscent to changes observed, when comparing the WT and inactivation reduced S631A cryo-EM structures, which reveal subtle structural differences in the SF, particularly at residue F62738. It was suggested that these states might represent active (S631A) and inactive (WT) conformations... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"legend": "A", "type": "chart", "bbox": [0.0011, 0.0456, 0.4887, 0.9961]}, {"legend": "B", "type": "chart", "bbox": [0.5132, 0.0522, 0.999, 0.9961]}] | |
Figure 13. Visualization of 3D structural feature for 1127-bit with the largest feature importance (FI=0.146186) in "e-Hemolytic-Regression" program. The central atom is carbon, which is connected with the carbonyl group, nitrogen atom, and aliphatic carbon atom. It is noteworthy that that this feature importance is de... | ["Even though “e-Hemolytic-Regression” program can visualize all the important structural features for the given molecule upon the request by user, only three most important structural features with the top three largest FIs are taken as examples for easier description. These three structural features are displayed in ... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 1. Core concepts and properties of the OntoKin ontology. | ["Synthesis. This phase combines the analytical under- standing of concepts and properties to create concept hierarchies and/or object property-based relationships between concepts for developing the ontology. A concept hierarchy is created using is-a (more specific) or part-of (meronymy) relations. The creation of hier... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 8. Close-up view of interacting residues for Fragment 3. | [] | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 4. Correlation of the predicted binding free energy with respect to experimental values for the plasmin system A) with a previous PELE exploration and B) starting all simulations from solvent exposed structures, without a previous enhanced sampling simulation. The solid line represents y=x. | ["Figure 4A shows the correlation between the estimated values versus the experimental ones. To evaluate the prediction accuracy, we have calculated the root-mean-square error (RMSE), 0.64 kcal/mol, the R2 value, of 0.343, and the Spearman correlation of 0.66. The plot shows an overall correct trend, with an approximat... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "chart", "bbox": [0.0003, 0, 0.5516, 0.9906]}, {"type": "figure", "bbox": [0.5803, 0.0075, 1, 0.9963]}] | |
Figure 1. Example of a ligand−receptor, complex with PDB code 1q63 from the PDBbind database. | ["After training and evaluating models on the 2016 version of the data, the refined set of the 2019 edition of PDBbind was used to construct a realistic “hold-out” set that could be used to evaluate prediction performance on novel protein−ligand complexes that do not have similar counterparts in the training data as defi... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 5: Comparison of our unoptimized D-MPNN against several baseline models. We omitted the random forest baseline on PCBA, MUV, Toxcast, and ChEMBL due to large computational cost. Random forest is omitted on ClinTox due to numerical instability. The D-MPNN significantly outperforms each baseline on at least 8 data... | ["Figure 5 shows that even without optimization, our D-MPNN provides an excellent start- ing point on a wide variety of datasets and targets, though it can be improved further with proper optimization."] | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"legend": "(a) Regression Datasets (lower = better).", "item": [{"type": "chart", "bbox": [0.005, 0.0143, 0.9917, 0.4642]}, {"type": "chart", "bbox": [0.0042, 0.5415, 0.9841, 0.9747]}]}] | |
Figure 10. General representation of the customer's lead compound and our simplified model representing it in calculations. Note that the fluorine substituent does NOT represent R1! | ["Instead, we have prepared an illustrative example of a made-up surrogate compound, made-up substituents, made-up deriva- tives, and predicted4,19 pKa. In particular, we have replaced the “complicated scaffold in the middle” by a simple aliphatic chain; see Figure 10."] | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "molecule", "bbox": [0.0052, 0.3632, 0.1351, 0.8729]}, {"type": "molecule", "bbox": [0.2626, 0.0083, 0.4075, 0.7261]}, {"type": "expression", "bbox": [0.0042, 0, 0.9969, 0.9997]}, {"type": "molecule", "bbox": [0.5966, 0.003, 1.0, 0.8742]}] | |
Figure 16: Effect of using VAE synthetic train- ing data on SVM model accuracy. | ["The effect of using VAE synthetic training data performance of SVM models was tested. The same model parameters which yielded optimum performance were used here, (C = 10, kernel = Linear). Three cases were considered, train- ing on real data only, training on VAE spec- tra only, and training on real and VAE spectra co... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "figure", "bbox": [0, 0, 1, 1], "legend": "", "sub_caption": ""}] | |
Figure 7: Left: Boxplot comparison of rank calculate by RMSE metric. Right: Boxplot comparison of rank calculate by R-squared metric. For each dataset and evaluation metric, the rankings are calculated for six ML methods and four descriptors that are used by all ML algorithms (PCscores, zScales, VHSE and Identity). | ["Figure 6 shows the boxplot comparison of methods with the results of rank aggregated across 8 datasets and 2 metrics, on the x-axis the methods are ordered by increasing median rank. Similarly, the two subplots in Figure 7 shows the comparison of methods with rank calculated from each metric. Since the CNN model only... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"type": "chart", "bbox": [0.0009, 0.0019, 0.4874, 0.995]}, {"type": "chart", "bbox": [0.5088, 0.004, 0.9958, 0.9938]}] | |
Figure 5. Examples of AutoDock-SS single-reference mode performance compared with alternative methods. Ball-and-stick structures represent the reference ligand, and cyan structures represent example actives. The average and median molecular weights and heavy atom counts of the actives library are displayed. The gray su... | ["Second, removing positive grid point pseudopotentials enables AutoDock-SS to handle significant molecular size differences between the VS library compounds and references, especially when the references are smaller. The traditional grid maps generated from proteins for molecular docking contain both negative and posi... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"legend": "A", "item": [{"type": "molecule", "bbox": [0.3756, 0.004, 0.6558, 0.0803]}, {"type": "chart", "bbox": [0.012, 0.0013, 0.6564, 0.3029]}, {"type": "figure", "bbox": [0.6816, 0.0951, 0.9734, 0.2946]}]}, {"legend": "B", "item": [{"type": "molecule", "bbox": [0.1065, 0.3586, 0.2952, 0.415]}, {"type": "molecule"... | |
Figure 2. Total titration curves (A) and titrations per generation, G2 (B) and G3 (C). In G2 only Lys residues are present, while in G3, the titration curves were split into Lys residues and N-termini. All systems are represented, with MH47 in green, MH13 systems in a blue gradient, and MH18 systems in a red-yellow gra... | ["After computing the dendrimers’ titration curves (Figure 2A), we observe that all systems display identical and indistinguishable behavior, except for MH47, obviously due to the absence of those 4 lysine residues that were mutated to leucines. This result indicates that the different chiral changes and the nature of ... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"legend": "A", "type": "chart", "bbox": [0.0267, 0.0028, 0.9857, 0.3202]}, {"legend": "B", "type": "chart", "bbox": [0.0051, 0.341, 0.9876, 0.6581]}, {"legend": "C", "type": "chart", "bbox": [0.006, 0.6798, 0.9857, 0.9973]}] | |
Figure 5. Orthosteric pocket conformational changes of the hMOR in MD simulations. (a) and (b) Predominant trans (∼180.0°) or cis conformation (∼300.0°) of (a) Gln1262.60 χ2 dihedral angle or (b) Lys2355.39 χ2 dihedral angle, in representative MD conformations with bound fentanyl or morphine (purple or pink, hMOR resid... | ["From a conformational perspective, we observe (i) H-bonds (either direct or water-mediated) between the ligand and Asp1493.32 or Tyr1503.33 and between residues Asp1493.32 and Tyr3287.43, (ii) specific χ1 dihedral angles of Asp1493.32 and Met1533.36 (directly determined by conformational changes of Tyr1503.33), and (i... | null | Pharmacy | ["Pharmacy"] | Journal of Chemical Information and Modeling | null | null | [{"legend": "a)", "type": "figure", "bbox": [0.0121, 0, 0.5516, 0.3339]}, {"legend": "【c)", "type": "chart", "bbox": [0.5528, 0.0327, 0.9873, 0.3107]}, {"legend": "b)", "type": "figure", "bbox": [0.0095, 0.328, 0.5516, 0.6392]}, {"legend": "d)", "type": "chart", "bbox": [0.5624, 0.3382, 1.0, 0.6319]}, {"legend": "e", "... |
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