Results 181 to 190 of about 1,015,340 (312)

Tailoring Redox Active Sites with Dual‐Interfacial Electric Fields for Concurrent Photocatalytic Biomass Valorization and H2 Production

Advanced Functional Materials, EarlyView.
A rationally engineered bifunctional photocatalyst is reported, which achieves simultaneous selective oxidation of biomass‐derived 5‐hydroxymethylfurfural (HMF) to 2,5‐diformylfuran (DFF) and efficient H2 evolution. By precisely positioning Au and Co3O4 on Zn3In2S6 nanosheet, dual interfacial electric fields are well constructed to spatially separate ...
Shiqing Li, Sugang Meng, Huijun Zhang, Alain R. Puente‐Santiago, Zhongliao Wang, Shifu Chen, Mario J. Muñoz‐Batista, Yu‐Ming Zheng, Bo Weng   +8 more
wiley   +1 more source

Molecular Dynamics Simulation for Membrane Fusion. [PDF]

Methods Mol Biol
Tyoe O, Zhang K, Diao J.
europepmc   +1 more source

Molecular Dynamics Simulations Reveal the Proton:Peptide Coupling Mechanism in the Bacterial Proton-Coupled Oligopeptide Transporter YbgH

, 2019
Nanda G. Aduri, Marco Montefiori, Ruqaiya Khalil, Michael Gajhede, Flemming Steen Jørgensen, Osman Mirza   +5 more
openalex   +1 more source

Integrative Modeling of Protein Dynamics from Time-Series Data of Single-Molecule Experiments and Molecular Dynamics Simulations [PDF]

, 2019
Yasuhiro Matsunaga, Yuji Sugita
openalex   +1 more source

Mechanical properties of lipid bilayers from molecular dynamics simulation.

Chemistry and Physics of Lipids, 2015
R. Venable, F. Brown, R. Pastor
semanticscholar   +1 more source

Smart, Bio‐Inspired Polymers and Bio‐Based Molecules Modified by Zwitterionic Motifs to Design Next‐Generation Materials for Medical Applications

Advanced Functional Materials, EarlyView.
Bio‐based and (semi‐)synthetic zwitterion‐modified novel materials and fully synthetic next‐generation alternatives show the importance of material design for different biomedical applications. The zwitterionic character affects the physiochemical behavior of the material and deepens the understanding of chemical interaction mechanisms within the ...
Theresa M. Lutz, Jonas De Breuck, Sahar Salehi, Meike N. Leiske   +3 more
wiley   +1 more source

Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior. [PDF]

Materials (Basel)
Wang X, Wang Y, Li G, Jiang W, Wang J, Kang X, Zeng Q, Yao S, Yao P.   +8 more
europepmc   +1 more source

Unlocking the Potential of Papuan Red Fruit (<i>Pandanus conoideus</i> Lamk): A Comprehensive Exploration of Its Role in COVID-19 Inhibition Through Molecular Docking and Molecular Dynamics Simulation

Agus Dwi Ananto, Harno Dwi Pranowo, Winarto Haryadi, Niko Prasetyo   +3 more
openalex   +1 more source

Molecular dynamics simulation : elementary methods / J.M. Haile

, 1992
J. Haile, Ian Johnston, A. Mallinckrodt, S. McKay   +3 more
semanticscholar   +1 more source

Emerging 2D Materials and Their Hybrid Nanostructures for Label‐Free Optical Biosensing: Recent Progress and Outlook

Advanced Functional Materials, EarlyView.
This review highlights recent advances in label‐free optical biosensors based on 2D materials and rationally designed mixed‐dimensional nanohybrids, emphasizing their synergistic effects and novel functionalities. It also discusses multifunctional sensing platforms and the integration of machine learning for intelligent data analysis.
Xinyi Li, Yonghao Fu, Yuehe Lin, Dan Du
wiley   +1 more source