Karl Popper and the Mechanisms of Hydrogen Embrittlement
Advanced Engineering Materials, EarlyView.Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley +1 more source
A Review of Quantitative Structure-Activity Relationship (QSAR) Models to Predict Thyroid Hormone System Disruption by Chemical Substances. [PDF]
ToxicsEvangelista M, Papa E.
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Towards combating antibiotic resistance by exploring the quantitative structure-activity relationship of NDM-1 inhibitors. [PDF]
EXCLI J, 2022 Yu T +5 more
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, 2013 Objective(s): The structure- activity relationship of a series of 36 molecules, showing L-type calcium channel blocking was studied using a QSAR (quantitative structure–activity relationship) method.
Farzin Hadizadeh +2 more
core
Advanced Engineering Materials, EarlyView.We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang +2 more
wiley +1 more source
Mining Structural Information from Gas Chromatography-Electron-Impact Ionization-Mass Spectrometry Data for Analytical-Descriptor-Based Quantitative Structure-Activity Relationship. [PDF]
J XenobiotZushi Y.
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Transmembrane behaviors and quantitative structure-activity relationship of dietary flavonoids in the presence of intestinal digestive products from different carbohydrate sources based on in vitro and in silico analysis. [PDF]
Food Chem X, 2023 Liu X, Ma S, Zhang Y, Fu Y, Cai S.
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Advanced Engineering Materials, EarlyView.A two‐dimensional multiscale finite element analysis framework was established for the first‐generation MoSiBTiC alloy, and the mechanical and fracture‐related parameters of the constituent phases were calibrated through experiments and simulations. The framework provides a basis for analyzing crack propagation behavior in its complex microstructure ...
Junfeng Du +4 more
wiley +1 more source
In Silico Models for Predicting Adsorption of Organic Pollutants on Atmospheric Nanoplastics by Combining Grand Canonical Monte Carlo/Density Functional Theory and Quantitative Structure Activity Relationship Approach. [PDF]
Nanomaterials (Basel)Wang Y +5 more
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Large-Scale Screening of Antifungal Peptides Based on Quantitative Structure-Activity Relationship. [PDF]
ACS Med Chem Lett, 2022 Zhang J +8 more
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