Results 171 to 180 of about 1,617,247 (300)

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.
europepmc   +1 more source

A Topology Optimization Framework for the Inverse Design of Nonlinear Mechanical Metamaterials

Advanced Engineering Materials, EarlyView.
This work uses topology optimization to design unit cells for mechanical metamaterials with a prescribed nonlinear stress–strain response. The framework adds contact and postbuckling modeling to synthesize microstructures for three highly nonlinear responses, including pseudoductile behavior, monostable with snap‐through buckling, and bistable ...
Charlie Aveline, Matthew Santer, Robert Hewson   +2 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, Yi H, Li C, Tang X, Zhao P, Chen Z.   +5 more
europepmc   +1 more source

Quantitative Structure-Activity Relationship Analysis of Isosteviol-Related Compounds as Activated Coagulation Factor X (FXa) Inhibitors. [PDF]

Nutrients, 2022
Gackowski M, Szewczyk-Golec K, Mądra-Gackowska K, Pluskota R, Koba M.   +4 more
europepmc   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Comprehensive safety evaluation of <i>Withania somnifera</i> (Ashwagandha): an AI-driven meta-analysis and quantitative structure-activity relationship based toxicity assessment. [PDF]

Front Nutr
Ronen Y, Ebert C, Tamim-Yecheskel BC, Zev S, Kantor O, Arbel HB.   +5 more
europepmc   +1 more source

Large-Scale Screening of Antifungal Peptides Based on Quantitative Structure-Activity Relationship. [PDF]

ACS Med Chem Lett, 2022
Zhang J, Yang L, Tian Z, Zhao W, Sun C, Zhu L, Huang M, Guo G, Liang G.   +8 more
europepmc   +1 more source

Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions

Advanced Functional Materials, EarlyView.
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian, Jingkai Lin, Zhihao Tian, Selusiwe Ncube, Huayang Zhang, Emiliano Cortés, Hongqi Sun, Shaobin Wang   +7 more
wiley   +1 more source

4D quantitative structure-activity relationships

Citation: '4D quantitative structure-activity relationships' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.11404 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for ...
openaire   +1 more source

Food Grade Synthesis of Hetero-Coupled Biflavones and 3D-Quantitative Structure-Activity Relationship (QSAR) Modeling of Antioxidant Activity. [PDF]

Antioxidants (Basel)
Zheng H, Yang X, Zhang Q, Toy JYH, Huang D.   +4 more
europepmc   +1 more source