-
9721
Optimizing androgen receptor prioritization using high-throughput assay-based activity models
Published 2024-03-01“…Introduction: Computational models using data from high-throughput screening assays have promise for prioritizing and screening chemicals for testing under the U.S. …”
Get full text
Article -
9722
Theoretical and experimental methods for determining the strength characteristics of turbine blades under thermomechanical loading
Published 2021-08-01“…It is concluded that when using exclusively computational methods, it is impossible to reliably estimate the level of stresses and their distribution since the calculations are limited by the boundary conditions, which are set according to the capabilities of a particular computational model. Summing up, it can be noted that it is advisable to start assessing the strength of blades under thermomechanical loading with several series of tests of samples of blade material to study the effect of temperature and power cycles of loads, the effect of the orientation of the load vector concerning the crystallographic orientation of the blade. …”
Get full text
Article -
9723
Effects of three spontaneous ventilation modes on respiratory drive and muscle effort in COVID-19 pneumonia patients
Published 2023-09-01“…P-SILI has been demonstrated in experimental studies and supported in recent computational models. Different treatment strategies have been proposed according to the phenotype of elastance of the respiratory system (Ers) for patients with COVID-19. …”
Get full text
Article -
9724
Crystal structures and molecular dynamics simulations of a humanised antibody fragment at acidic to basic pH
Published 2023-09-01“…Abstract Antibody-fragment (Fab) therapy development has the potential to be accelerated by computational modelling and simulations that predict their target binding, stability, formulation, manufacturability, and the impact of further protein engineering. …”
Get full text
Article -
9725
Exposure to organophosphate flame retardants and plasticizers is positively associated with wheeze and FeNO and eosinophil levels among school-aged children: The Hokkaido study
Published 2023-11-01“…For the PFR mixtures, a one-quartile increase in all PFRs (OR, 95%CI:1.48, 1.18–1.86) was significantly associated with high FeNO (≥35 ppb) in the qg-computation model. The PFR mixture was positively associated with high FeNO (≥35 ppb) and eosinophil counts (≥300/μL) in the BKMR models. …”
Get full text
Article -
9726
Intracellular delivery of Parkin-RING0-based fragments corrects Parkin-induced mitochondrial dysfunction through interaction with SLP-2
Published 2024-01-01“…We found a preferential binding of SLP-2 to the N-terminal part of Parkin, with a highest affinity for the RING0 domain. Computational modeling based on the crystal structure of Parkin protein predicted several potential binding sites for SLP-2 within the Parkin RING0 domain. …”
Get full text
Article -
9727
A detailed molecular network map and model of the NLRP3 inflammasome
Published 2023-11-01“…Here, we provide such an overview as a resource to researchers working in or entering the field, as well as a computational model that allows for evaluating and explaining the function of the NLRP3 inflammasome system from the current molecular knowledge. …”
Get full text
Article -
9728
Simulation of Water Influx and Gasified Gas Transport during Underground Coal Gasification with Controlled Retracting Injection Point Technology
Published 2022-05-01“…In this study, a geological model is first established using the computer modeling group (CMG), a commercial software package for reservoir simulation. …”
Get full text
Article -
9729
Individual and mixture associations of perfluoroalkyl substances on liver function biomarkers in the Canadian Health Measures Survey
Published 2022-09-01“…We also did not observe consistent associations for PFDA and PFUDA or with total bilirubin. In quantile g-computation models, each simultaneous one-quartile increase in the PFAS mixture was positively associated with AST (7.5% higher; 95%CI: 4.0, 10.4), GGT (9.7% higher; 95%CI: 1.7, 17.0), and ALP (2.8% higher; 95%CI: 0.5, 5.4). …”
Get full text
Article -
9730
Cellular mechanisms underlying carry-over effects after magnetic stimulation
Published 2024-03-01“…Here, we investigated carry-over effects at the cellular level, using the combination of micro-magnetic stimulation (µMS), electrophysiology, and computation modeling. We found that high frequency magnetic stimulation could lead to immediate neural inhibition in ganglion neurons from Aplysia californica, as well as persistent, carry-over inhibition after withdrawing the magnetic stimulus. …”
Get full text
Article -
9731
Forelimb muscle and joint actions in Archosauria: insights from Crocodylus johnstoni (Pseudosuchia) and Mussaurus patagonicus (Sauropodomorpha)
Published 2017-11-01“…We present biomechanical computer models of two locomotor extremes within Archosauria in an analysis of joint ranges of motion and the moment arms of the major forelimb muscles in order to quantify biomechanical differences between more sprawling, pseudosuchian (represented the crocodile Crocodylus johnstoni) and more erect, dinosaurian (represented by the sauropodomorph Mussaurus patagonicus) modes of forelimb function. …”
Get full text
Article -
9732
Heat transfer in three dimensional micropolar based nanofluid with electromagnetic waves in the presence of eukaryotic microbes
Published 2024-05-01“…The significance of the current investigations is to develop a steady 3D computational model for the magnetic field hydrodynamics micropolar nanofluid along with the Buongiorno model which incorporates Brownian motion and thermophoretic diffusion effects to describe the heat transfer enhancement of micropolar nanofluid. …”
Get full text
Article -
9733
A generalized covariate-adjusted top-scoring pair algorithm with applications to diabetic kidney disease stage classification in the Chronic Renal Insufficiency Cohort (CRIC) Study
Published 2023-02-01“…Abstract Background The growing amount of high dimensional biomolecular data has spawned new statistical and computational models for risk prediction and disease classification. …”
Get full text
Article -
9734
A Novel Cryptic Clostridial Peptide That Kills Bacteria by a Cell Membrane Permeabilization Mechanism
Published 2022-10-01“…Experimental data and computational modeling showed that this peptide forms transmembrane pores, directly engaging the negatively charged phospholipids of the bacterial cell membrane. …”
Get full text
Article -
9735
Hospital mortality of blunt abdominal aortic injury (BAAI): a systematic review and meta-analysis
Published 2023-03-01“…Various methods were used to determine the sources of heterogeneity and to analyse the sensitivity of the computation model. Results Of the 2147 references screened, 5 studies that involved 1593 patients met the selection criteria and were included. …”
Get full text
Article -
9736
N-Glycosylation Site Analysis of Citrullinated Antigen-Specific B-Cell Receptors Indicates Alternative Selection Pathways During Autoreactive B-Cell Development
Published 2019-09-01“…IgG sequences of 12 healthy donors were used as control. Computational modeling of the germinal center reaction (CLONE algorithm) was used with the germline counterparts of ACPA-IgG heavy chain (HC) sequences to simulate the germinal center response. …”
Get full text
Article -
9737
3399 Systematically Integrating Microbiomes and Exposomes for Translational Research
Published 2019-03-01“…Due to the heterogeneity in microbiome and exposome data, we aligned them along a conceptual representation of different data used in translational research; microbiomes being biospecimen-derived, and exposomes being a combination of sensor measurements, surveys and computationally modelled data. We performed a review of literature describing microbiome data, metadata, and semantics [4–15], along with existing datasets [16] and developed an initial metadata model. …”
Get full text
Article -
9738
Phenolic Constituents from <i>Wendlandia tinctoria</i> var. <i>grandis</i> (Roxb.) DC. Stem Deciphering Pharmacological Potentials against Oxidation, Hyperglycemia, and Diarrhea: P...
Published 2022-09-01“…Furthermore, the computational modeling study supported the current in vitro and in vivo findings, and the isolated constituents had a higher or comparable binding affinity for glutathione reductase and urase oxidase enzymes, glucose transporter 3 (GLUT 3), and kappa-opioid receptor, inferring potential antioxidant, hypoglycemic, and antidiarrheal properties, respectively. …”
Get full text
Article -
9739
Lessons Learned From Interdisciplinary Efforts to Combat COVID-19 Misinformation: Development of Agile Integrative Methods From Behavioral Science, Data Science, and Implementation...
Published 2023-02-01“…The linking of theoretical constructs underlying health behaviors to COVID-19–related social media interactions through semantic and syntactic features using our computational models has revealed frequent interaction typologies in factual and misleading COVID-19 posts and indicated significant differences in network metrics such as degree. …”
Get full text
Article -
9740
Per- and polyfluoroalkyl substances in umbilical cord serum and body mass index trajectories from birth to age 10 years: Findings from a longitudinal birth cohort (SMBCS)
Published 2023-10-01“…To estimate the associations of cord serum PFAS levels with BMI trajectories and longitudinal changes in BMI, logistic regression models, linear mixed models, Bayesian kernel machine regression, and quantile-based g-computation models (QGC) were used. Results: The median concentrations of 10 PFAS congeners included in statistical analysis ranged from 0.047 to 3.623 μg/L. …”
Get full text
Article