Results 171 to 180 of about 1,015,340 (312)

Synergistic effect of tannic acid/stearic acid/calcium carbonate/recycled polypropylene polymer composites and molecular dynamics simulation study [PDF]

Chuanheng Yu, Liangdong Ye, Dacheng Li, Hong Bo Liu, Qiaoyan Wei, Yanyou Huang, Zengju Wu, Liling Zhang, Ziwei Li, Shaorong Lu   +9 more
openalex   +1 more source

Backbone Heterojunction Photocatalysts for Efficient Sacrificial Hydrogen Production

Advanced Functional Materials, EarlyView.
Herein, a ‘single‐component’ organic semiconductor photocatalyst is presented in which a molecular donor is bonded to a polymer acceptor. The resultant material demonstrates exceptional photocatalytic activity for hydrogen evolution in aqueous triethylamine with an outstanding external quantum efficiency of 38% at 420 nm.
Richard J. Lyons, Rhys J. Bourhill, Ewan McQueen, Sam D. Harding, Krzysztof Pawlak, Thomas Fellowes, Harry W. Capps, Alexander J. Cowan, Andrew I. Cooper, Adrian M. Gardner, Martijn A. Zwijnenburg, Reiner Sebastian Sprick   +11 more
wiley   +1 more source

Mechanisms of Okanin against wound healing based on network pharmacology, molecular docking and molecular dynamics simulation. [PDF]

Sci Rep
Zhao C, Li Y, Lin J, Chen Y, Zeng J, Wang Z, You Z, Chen Y, Zhang W, Huang J, Xie Y, Wu X, Shi R, Wang J.   +13 more
europepmc   +1 more source

Ion‐Selective Microporous Membranes via One‐Step Copolymerization Enable High‐Performance Redox Flow Batteries

Advanced Functional Materials, EarlyView.
A scalable one‐step copolymerization strategy is developed to produce low‐cost microporous ion exchange membranes that boost both the efficiency and lifespan of flow batteries. When combined with organic electrolytes in aqueous systems, these membranes enable safe and cheap flow battery energy storage, supporting the widespread integration of renewable
Jiaye Liu, Chunchun Ye, Ying Ma, Rui Tan, Xiangwen Wang, Huiting Zhang, Peng Song, Quan‐Fu An   +7 more
wiley   +1 more source

Effect of temperature on the wetting performance of coal powder by different surfactant solutions: experimental and molecular dynamics simulation study. [PDF]

Sci Rep
Fu W, Kang J, Liang W, Deng P.
europepmc   +1 more source

Mechanochemistry‐Assisted Solvent‐Free Supramolecular Engineering for Atomic‐Layered Carbon Nitride Nanosheets with Enhanced Photocatalytic Hydrogen Evolution

Advanced Functional Materials, EarlyView.
A solvent‐free mechanochemistry‐enabled supramolecular engineering strategy is developed to directly synthesize covalent‐interconnected two‐dimensional atomic‐layered carbon nitride nanosheets photocatalyst, bypassing conventional top‐down exfoliation requirements.
Fanglei Yao, Jingwen Sun, Huiru Duan, Yongsheng Fu, Jin Wang, Liming Dai, Jingsan Xu, Junwu Zhu   +7 more
wiley   +1 more source

Molecular Dynamics Simulation Reveals the Mechanism of Substrate Recognition by Lignin-Degrading Enzymes. [PDF]

Int J Mol Sci
Ma X, Cao X, Ma Z, Zhu J, Yang L, Xiao M, Jiang X.   +6 more
europepmc   +1 more source

Implementation of Drug‐Induced Rhabdomyolysis and Acute Kidney Injury in Microphysiological System

Advanced Functional Materials, EarlyView.
A modular Muscle–Kidney proximal tubule‐on‐a‐chip integrates 3D skeletal muscle and renal proximal tubule tissues to model drug‐induced rhabdomyolysis and acute kidney injury. The coculture system enables dynamic tissue interaction, functional contraction monitoring, and quantification of nephrotoxicity, revealing drug side effect‐induced metabolic ...
Jaesang Kim, Zhuo Feng Lee, Gi‐Dong Sim, Sejoong Kim, Jessie S. Jeon   +4 more
wiley   +1 more source

Orientation-Dependent Reinforcing Mechanisms of SiC/Carbon Nanotube Composites: A Reactive Molecular Dynamics Simulation Study. [PDF]

Langmuir
Su Y, Chen Q, Bai S, Shirasu K, Yamamoto G, Hashida T, Ootani Y, Ozawa N, Wang Y, Kubo M.   +9 more
europepmc   +1 more source

Dielectric properties of binary hydrofluoroolefin refrigerant mixtures: Comparisons of new experimental data with molecular dynamics simulations

, 2019
G. Raabe, Matthew Hopkins, Catherine C. Sampson, Paul L. Stanwix, Eric F. May   +4 more
openalex   +2 more sources