Results 251 to 260 of about 1,015,340 (312)

Molecular Dynamics Simulation Study of Polyvinylpyrrolidone as a Kinetic Inhibitor for Natural Gas Hydrates under Ultradeepwater Conditions. [PDF]

ACS Omega
He Z, Guan J, Wang J, Xu H.
europepmc   +1 more source

Durable Physically Mixed Microporous and Mesoporous MOFs/Nanofiber Aerogel 3D Composites for Effective Toxic Gas Capture and Organophosphonate Detoxification

Advanced Functional Materials, EarlyView.
Ultralight 3D nanofibrous aerogels embedded with metal‐organic frameworks effectively capture and neutralize toxic gases and organophosphonates. Incorporating mesoporous UiO‐66‐NH2 and HKUST‐1 into PAN/PVP fibers enables high MOF loading while maintaining mechanical strength and structural stability.
Mai O. Abdelmigeed, Muhammed Ziauddin Ahmad Ebrahim, John J. Mahle, Brandon B. Blount, Gregory W. Peterson, Saad A. Khan, Gregory N. Parsons   +6 more
wiley   +1 more source

Research note: Exploring the effects of glycerol monolaurate on lipid metabolism in young broilers based on molecular dynamics simulation and 16S rRNA analysis. [PDF]

Poult Sci
Zhang X, Pan X, Kong L, Song Z.
europepmc   +1 more source

Nanomaterial‐Integrated Fiber Neural Probes for Deep Brain Monitoring and Modulation: Challenges and Opportunities

Advanced Functional Materials, EarlyView.
The article presents nanomaterial‐integrated fiber neural probes as innovative tools for deep brain molecular sensing, neural stimulation, and temperature monitoring. It examines breakthroughs in SERS‐based biomolecule detection, thermoplasmonic activation, and luminescent thermometry, alongside strategies to overcome stability, specificity, and ...
Di Zheng, Yang Li, Muhammad Fayyaz Kashif, Linda Piscopo, Massimo De Vittorio, Ferruccio Pisanello   +5 more
wiley   +1 more source

Multi spectroscopic investigations with molecular docking and molecular dynamics simulation of the binding mechanism of molnupiravir to bovine serum albumin. [PDF]

BMC Chem
Mansour FR, Elhosary N, Elagamy SH, Barseem A, Kamal AH.   +4 more
europepmc   +1 more source

Tunable and Recyclable Piezoelectric Biomaterials via Ion‐Directed Guanine‐Quadruplex Assembly

Advanced Functional Materials, EarlyView.
Guanine‐quadruplex (GQ) assemblies, formed via ion‐mediated self‐assembly of amphiphilic guanine derivatives, are introduced as tunable and recyclable piezoelectric biomaterials. Distinct alkali ions induce unique dipole configurations and piezoelectric outputs, with K⁺ yielding the highest performance.
Seungho Lee, Sangyun Na, Yumi Cho, Gaeun Park, Seung Hak Oh, Jaejun Kim, Byoung‐Ki Cho, Sang Kyu Kwak, Ja‐Hyoung Ryu, Hyunhyub Ko   +9 more
wiley   +1 more source

Inherent surface heterogeneity of carbon black by one-shot structure analysis using hybrid reverse molecular dynamics simulation. [PDF]

Sci Rep
Watanabe T, Chinen R, Kobayashi R, Maie T, Kubota Y, Ozaki JI, Ohba T.   +6 more
europepmc   +1 more source

Vachoppy: A Python Package for Vacancy Hopping Analysis Based on Ab Initio Molecular Dynamics Simulations

Tae-Young Jeong, Kun Hee Ye, Seungjae Yoon, Dohyun Kim, Yunjae Kim, Cheol Seong Hwang, Jung‐Hae Choi   +6 more
openalex   +1 more source

Magnetic and Structural Response Tuned by Coexisting Mn Concentration‐Dependent Phases in MnBi2Te4 Thin Film Grown on GaAs(001) by Molecular Beam Epitaxy

Advanced Functional Materials, EarlyView.
The study explores structural and magnetic properties of one of the most recent topological quantum materials (MnBi2Te4). The Mn‐poor structure leads to stacking faults (quintuple layer ‐ QL of Bi2Te3 formation instead of a septuple layer ‐ SL of MnBi2Te4), resulting in a coexistence between weak antiferromagnetism and ferromagnetism.
Wesley F. Inoch, Sergio L. A. Mello, Gilberto Rodrigues‐Junior, Sukarno O. Ferreira, Marcelo M. Sant'Anna, Benjamin R. Salles, Mateus T. Souza, Sérgio L. Morelhão, Maybi F. Sampaio, Bráulio S. Archanjo, Leonarde N. Rodrigues   +10 more
wiley   +1 more source

Hydrogen‐Bond‐Rich Supramolecular Multiblock Copolymers Facilitate Rapid Zn2+ Migration in Quasi‐Solid‐State Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
The disordered growth of dendrites, corrosion, parasitic side reactions, slow de‐solvation kinetics, and inherent safety risks significantly hinder the practical deployment of conventional liquid electrolyte zinc‐ion batteries. In contrast, the novel PU‐EG+DMPA‐Zn polyurethane quasi‐solid‐state electrolyte, enriched with abundant polar functional ...
Ruiqi Liu, Changding Wang, Fu Wan, Kaida Hu, Da Yang, Yaoyang Xia, Wenwei Yin, Yupeng Lin, Yuejiao Chen, Shuhui Sun, Weigen Chen   +10 more
wiley   +1 more source