Results 151 to 160 of about 326,621 (219)

Application of Molecular Dynamic Simulation in the Enantiorecognition Mechanism of the Pharmaceutically Relevant Leu-Phe Dipeptides With Four Zwitterionic Chiral Stationary Phases. [PDF]

J Sep Sci
Varfaj I, Sardella R, Klimova YA, Asnin LD, Kohout M, Carotti A.   +5 more
europepmc   +1 more source

Ferroelectricity in Antiferromagnetic Wurtzite Nitrides

Advanced Functional Materials, EarlyView.
We establish MnSiN2${\rm MnSiN}_2$ and MnGeN2${\rm MnGeN}_2$ as aristotypes of a new multiferroic wurtzite family that simultaneously exhibits ferroelectricity and antiferromagnetism with altermagnetic spin splitting. By strategically substituting alkaline‐earth metals, we predict new materials with coexisting switchable polarization, spin texture, and
Steven M. Baksa, Lin‐Ding Yuan, Stephen D. Wilson, James M. Rondinelli   +3 more
wiley   +1 more source

In Silico molecular docking and molecular dynamic simulation of transferrin coated Phenytoin loaded SLNs with molecular targets of epilepsy. [PDF]

PLoS One
Zeb A, Ali H, Khan JZ, Shah FA, Alattar A, Alanazi FE.   +5 more
europepmc   +1 more source

From Food to Power: Hydrogel Thermoelectrics for Ingestible Electronics

Advanced Functional Materials, EarlyView.
We introduce a fully edible thermoelectric–electrochromic platform that harvests heat from food and converts it into a visible color change. N‐type and p‐type hydrogel thermoelectric generators connected in series power anthocyanin‐based electrochromic displays, demonstrating the feasibility of safe, biodegradable, ingestible systems for on‐food ...
Antonia Georgopoulou, Bokeon Kwak, Dario Floreano, Esther Amstad   +3 more
wiley   +1 more source

Prediction of thermophysical properties of R-454B based on molecular dynamic simulation and SAFT-based equation of state. [PDF]

Sci Rep
Altalbawy FMA, Sead FF, Jhala R, Ramachandran T, Hamid JA, Shankhyan A, Karthikeyan A, Thatoi DN.   +7 more
europepmc   +1 more source

Polarizable Vanadium Dipoles Promote Water Dissociation on Vanadium‐Based Metal Organic Framework

Advanced Functional Materials, EarlyView.
The polarization of unpaired V 3d electrons weakens the H─O bond to improve water dissociation by the dual Vδ+:O─H and Pλ−:H─O coupling hydrogen bonds formation and relaxation. P@V‐MOF electrocatalyst shows low overpotentials (94 mV in acid, 178 mV in neutral, and 77 mV in alkaline solutions) with excellent stability for effective overall water ...
Xinjuan Liu, Jun Xu, Minmin Fan, Jingcheng Xu, Mengyuan Li, Yun Gong, Weiwei Yang, Lei Li, Yong Zhou, Deqiang Zhao, Yuhua Xue, Xingtao Xu, Chang Q. Sun, Liming Dai   +13 more
wiley   +1 more source

Dynamic Simulation Models of Suicide and Suicide-Related Behaviors: Systematic Review. [PDF]

JMIR Public Health Surveill
Gariepy G, Zahan R, Osgood ND, Yeoh B, Graham E, Orpana H.   +5 more
europepmc   +1 more source

Intermediate Resistive State in Wafer‐Scale Vertical MoS2 Memristors Through Lateral Silver Filament Growth for Artificial Synapse Applications

Advanced Functional Materials, EarlyView.
In MOCVD MoS2 memristors, a current compliance‐regulated Ag filament mechanism is revealed. The filament ruptures spontaneously during volatile switching, while subsequent growth proceeds vertically through the MoS2 layers and then laterally along the van der Waals gaps during nonvolatile switching.
Yuan Fa, Milan Buttberg, Ke Ran, Rana Walied Ahmad, Dennis Braun, Lukas Völkel, Jimin Lee, Sofía Cruces, Bart Macco, Bárbara Canto, Holger Lerch, Thorsten Wahlbrink, Holger Kalisch, Michael Heuken, Andrei Vescan, Joachim Mayer, Zhenxing Wang, Ilia Valov, Stephan Menzel, Max C. Lemme   +19 more
wiley   +1 more source

Long-term dynamic simulation of cellular systems with inhomogeneous mass distribution. [PDF]

Multibody Syst Dyn
Rabiei M, Albaruni MASI, Joshi V, Cho M, Bowling A.   +4 more
europepmc   +1 more source

Liquid Phase Transmission Electron Microscopy: A Window into the Early Stages of Complex Material Formation

Advanced Functional Materials, EarlyView.
Liquid‐phase transmission electron microscopy enables direct observation of nucleation and growth processes in solution. This review is dedicated to the remembrance of Helmut Cölfen and highlights recent studies on complex materials—oxides, biominerals, organic–inorganic crystals—which were central to his research activity. It summarizes key milestones,
Charles Sidhoum, Vinavadini Ramnarain, Nathaly Ortiz Peña, Dris Ihiawakrim, Clément Sanchez, Ovidiu Ersen   +5 more
wiley   +1 more source