Results 201 to 210 of about 1,797,412 (279)

Hyperthermophilic xylanase and thermophilicity analysis by molecular dynamic simulation with quantum mechanics. [PDF]

Appl Microbiol Biotechnol
Boonyapakron K, Keiser B, Prabmark K, Aiewviriyasakul K, Arunrattanamook N, Jaruwat A, Chitnumsub P, Li JY, Wong TS, Zhao XQ, Liu CG, Wei DQ, Champreda V.   +12 more
europepmc   +1 more source

Dynamical Qualitative Simulation [PDF]

, 1996
openaire   +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

Fermi Surface Nesting and Anomalous Hall Effect in Magnetically Frustrated Mn2PdIn

Advanced Functional Materials, EarlyView.
Mn2PdIn, a frustrated inverse Heusler alloy, showing electronic‐structure driven anomalous Hall effect with Weyl crossings, Fermi‐surface nesting and near‐zero magnetization ideal for low‐magnetization spintronics. Abstract Noncollinear magnets with near‐zero net magnetization and nontrivial bulk electronic topology hold significant promise for ...
Afsar Ahmed, Arnab Bhattacharya, Prashant Singh, Ajay Kumar, Tukai Singha, Anis Biswas, Yaroslav Mudryk, I. Das   +7 more
wiley   +1 more source

Computational Modelling of Tunicamycin C Interaction with Potential Protein Targets: Perspectives from Inverse Docking with Molecular Dynamic Simulation. [PDF]

Curr Issues Mol Biol
Naidoo V, Achilonu I, Mirza S, Hull R, Kandhavelu J, Soobben M, Penny C.   +6 more
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

Probing the Inhibitory Potential of Halogenated Symmetrical Formamidine Against MAO-A and MAO-B: Structural Elucidation, Molecular Dynamic Simulation and DFT Computational Studies. [PDF]

Chem Biodivers
Oladipo SD, Luckay RC, Olalekan SO, Badeji AA, Yusuf TL, Adeleke AA, Matinise N.   +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

Dynamic Mechanical Properties and Energy Absorption Capabilities of Polyureas Through Experiments and Molecular Dynamic Simulation. [PDF]

Polymers (Basel)
Yang K, Wang S, Chen Y, Dong H, Wang Q, Cheng Q.   +5 more
europepmc   +1 more source

Miniature Nanomesh Mechano‐Acoustic Sensor with Wide Linear Dynamic Range, Broad Bandwidth, and Flat Frequency Response

Advanced Functional Materials, EarlyView.
A miniaturized mechano‐acoustic sensor is developed using an electrospun PVDF nanomesh as the diaphragm in a capacitive sensor structure. Unlike conventional nanomesh‐based sensors, it achieves high linear sensitivity, a broad and flat frequency response, and a compact form factor.
Jeng‐Hun Lee, Kang Hyuk Cho, Seojin Yun, Siyoung Lee, Woongji Kim, Yunsik Kim, Wonkyu Moon, Yoonyoung Chung, Kilwon Cho   +8 more
wiley   +1 more source