Results 231 to 240 of about 628,558 (285)

Encapsulation of curcumin in groundnut oil-in-water (O/W) nanoemulsions: Experimental analysis and molecular dynamics simulations. [PDF]

Ultrason Sonochem
Mathias GN, Krishna Goud KV, Divi S, Vatti AK, Carpenter J, Manickam S.   +5 more
europepmc   +1 more source

Toward Scalable Solutions for Silver‐Based Gas Diffusion Electrode Fabrication for the Electrochemical Conversion of CO2 – A Perspective

Advanced Functional Materials, EarlyView.
In this study, the preparation techniques for silver‐based gas diffusion electrodes used for the electrochemical reduction of carbon dioxide (eCO2R) are systematically reviewed and compared with respect to their scalability. In addition, physics‐based and data‐driven modeling approaches are discussed, and a perspective is given on how modeling can aid ...
Simon Emken, K. Ashoke Raman, Alexander Bauer, Violeta Karyofylli, Eva Jodat, André Karl, Rüdiger‐A. Eichel   +6 more
wiley   +1 more source

Atomistic molecular dynamics simulations of intrinsically disordered proteins. [PDF]

Curr Opin Struct Biol
Muhammedkutty FNK, MacAinsh M, Zhou HX.
europepmc   +1 more source

Geometry‐Dependent Adhesion in Transparent Monodomain Liquid Crystal Elastomers

Advanced Functional Materials, EarlyView.
Liquid Crystal Elastomers (LCEs) are emerging as exciting pressure‐sensitive adhesives. We examine adhesion in chemically identical elastomer films, exploring the influence of geometry (director orientation) and phase (nematic or isotropic). We demonstrate the potential of these aligned films as transparent, tunable, broad‐temperature‐range smart ...
Aidan Street, Devesh Mistry, Johan Mattsson, Helen F. Gleeson   +3 more
wiley   +1 more source

Discovery of Potential GPRC5D Inhibitors through Virtual Screening and Molecular Dynamics Simulations. [PDF]

ChemistryOpen
Chen X, Yang X, Chen R, Xu L, Dong X, Cai Z.   +5 more
europepmc   +1 more source

Reprogramming Tumor Cell Death via Processing Natural Drug to Carbon Dots Overcomes Collagen Barrier and Activates Antitumor Immunity

Advanced Functional Materials, EarlyView.
A traditional Chinese medicine‐derived carbon dots nanoplatform reprograms tumor cell death from apoptosis to necroptosis, dismantling therapy‐induced collagen barriers and promoting immunogenic death. pH‐responsive hydrogel assembled from carbon dots for localized delivery, this strategy suppresses primary tumors and metastasis, offering a new ...
Zekun Yan, Hongwei Cheng, Yupeng Liu, Wenfeng Xu, Quansheng Cheng, Lingyun Li, Xue Wu, Yingqi Liang, Jing Zhao, Gang Liu, Shaoping Li, Songnan Qu   +11 more
wiley   +1 more source

Rapid and Reliable Conformational Analysis of Glycans by Small Angle X-Ray Scattering Guided Molecular Dynamics Simulations. [PDF]

Chemphyschem
Vázquez-Mena Y, Yadav N, Djalali S, Morfin I, Delbianco M, Ogawa Y.   +5 more
europepmc   +1 more source

Molecular Dynamics Simulations of Plasma-Antifolate Drug Synergy in Cancer Therapy. [PDF]

Biomolecules
Niu Y, Zhao T, Wang X, Sun Y, Zhang Y.
europepmc   +1 more source

Investigating the Multifunctional Coating Design for Metal Surfaces: Insights from Molecular Dynamics Simulations. [PDF]

ACS Omega
Moirangthem M, Kumar K, Dhanda L, Meena SK.   +3 more
europepmc   +1 more source