Results 181 to 190 of about 336,307 (265)

Material Basis and Mechanisms of Action of PuRenDan in the Treatment of Type 2 Diabetes Mellitus: An Integrated Network Pharmacology and Molecular Simulation Study. [PDF]

Pharmaceuticals (Basel)
Yang W, Ouyang G, Zhou W, Lu B, Pang Z.
europepmc   +1 more source

Architecture‐Driven Functional Coupling in Vertically Aligned Nanocomposites

Advanced Functional Materials, EarlyView.
Vertically aligned nanocomposites define a growth‐engineered architecture in which vertical interfaces, strain fields, defect pathways, and phase connectivity are created simultaneously. This review shows how these architectural features couple ferroic, optical, ionic, electrochemical, and device responses, establishing design rules and open challenges
Md Shatil Islam‐Shanto, Javier Zamudio‐García, Abraham Sánchez‐Caballero, David Marrero‐López, Vincenzo Esposito   +4 more
wiley   +1 more source

Retraction Note: Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules

Scientific Reports
Mozafar Rezaee, Saeid Ekrami, Seyed Majid Hashemianzadeh   +2 more
doaj   +1 more source

Molecular Simulation of the Adsorption Separation of Acidic Natural Gas Contaminants with Zeolites. [PDF]

Nanomaterials (Basel)
Kristóf T, Fodor L.
europepmc   +1 more source

Desert Plant Inspired Hierarchical Nanofibrous Membranes for Integrated Solar Desalination and Heavy Metal Remediation

Advanced Functional Materials, EarlyView.
An Alhagi maurorum inspired hierarchical composite membrane (NFCu) was developed by integrating heavy metal remediation and solar‐driven interfacial evaporation in a single platform. Beyond the photothermal effect, a localized photocatalytic process is realized on the CuO surface, deepening the mechanistic understanding of light–matter–water ...
Yuqiong He, Ronggang Luo, Shengbo Ge, Kaixin Jiang, Kirsten Dyer, Xiaojian Zhou, Ben Bin Xu, Xuehua Zhang, Guanben Du, Kaimeng Xu   +9 more
wiley   +1 more source

Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids

ACS Central Science, 2018
Seyed Mohamad Moosavi, Peter G. Boyd, Lev Sarkisov, Berend Smit   +3 more
doaj   +1 more source

Does Electrode Spacing Truly Control Capacitance and Energy Density in Graphene-Based Supercapacitors? A Molecular Simulation Perspective. [PDF]

ACS Omega
Guedes DO, de Araujo Chagas H, Voroshylova IV, Colherinhas G.   +3 more
europepmc   +1 more source

Graded Metallopolymer Structures with Shape‐Memory Abilities via DLP‐Based 3D‐Printing

Advanced Functional Materials, EarlyView.
This study presents the digital light processing (DLP) based 3D printing of graded metallopolymers featuring shape‐memory abilities. The permanent shape can be recovered in two distinct steps with excellent rates. The obtained graded prints range from simple rod‐like structures to complex hollow materials.
Michael Klein, Michael F. Agyemang, Michael Schmitt, Jürgen Popp, Martin D. Hager, Stefan Zechel, Ulrich S. Schubert   +6 more
wiley   +1 more source

Nonuniform Chiralization of Metal–Organic Frameworks Using Imine Chemistry

ACS Materials Au
Balázs Álmos Novotny, Sauradeep Majumdar, Andres Ortega-Guerrero, Kevin Maik Jablonka, Elias Moubarak, Natalia Gasilova, Nency P. Domingues, Raluca-Ana Kessler, Emad Oveisi, Fatmah Mish Ebrahim, Berend Smit   +10 more
doaj   +1 more source

Molecular Simulation Study of Water-Rock Interfaces During Supercritical CO₂ Sequestration. [PDF]

Molecules
Yan Y, Fan Y, Zhang P.
europepmc   +1 more source