Results 211 to 220 of about 7,568,994 (301)

SPAN 60 and TWEEN 60 surfactant-based niosomal vesicles: from preparation to molecular dynamics simulations. [PDF]

Nanoscale Adv
Ježková M, George AH, Vazdar M, Mikšátko J, Hanuš J, Šoós M.   +5 more
europepmc   +1 more source

High‐Efficiency Deep Blue Single‐Gaussian Europium(II) Emitters and Their Emitter‐Host Interactions

Advanced Functional Materials, EarlyView.
Crown‐ether ligands and carborate anions enable vacuum‐processable Eu(II) emitters with efficient single‐Gaussian deep‐blue luminescence. Combined photophysical and computational analyses reveal that excited‐electron confinement and steric shielding of the europium center jointly govern compatibility with OLED host materials, establishing molecular ...
Mahmoud Soleimani, Paulius Imbrasas, Jan‐Michael Mewes, Felix Kaden, Stephanie Anna Buchholtz, Karl Leo, Sebastian Schellhammer, Carsten Rothe, Sebastian Reineke   +8 more
wiley   +1 more source

Floridoside as a Hinge-Targeted Inhibitor of MAPK13: Atomistic Insights from Molecular Dynamics Simulations. [PDF]

Mar Drugs
Zhong Y, Liang F, Xiong Z, Liu Z.
europepmc   +1 more source

Enhanced Ferroelectric Phase Formation via Local Structure Modification in the Pre‐Crystalline State of Hafnium Zirconium Oxide Thin Films

Advanced Functional Materials, EarlyView.
Hafnium zirconium oxide thin films are grown using plasma‐enhanced atomic layer deposition with the addition of an atomic layer annealing (ALA) step. ALA leads to a change in the short‐range structure of the deposit and encourages formation of the ferroelectric Pca21 phase. The result is wake‐up‐free performance with films exposed to ALA.
Nicolas K. Lam, Gerald R. Bejger, Waseem A. Wani, Kristina M. Holsgrove, Andrew N. Titus, Niyorjyoti Sharma, Shihao Wang, Keithen Orson, Megan K. Lenox, Liron Shvilberg, Yong Kyu Choi, Ian A. Brummel, Benjamin L. Aronson, Petra Reinke, Quentin Ramasse, Amit Kumar, Brian J. Rodriguez, Christina M. Rost, Jon F. Ihlefeld   +18 more
wiley   +1 more source

Molecular Dynamics Simulations Cyclotide Kalata B1 Interactions with Lipid Bilayers. [PDF]

Molecules
Forlemu NY, Njabon EN, Mallia A, Mwongela S, Tangirala S.   +4 more
europepmc   +1 more source

Physics‐Grounded Materials Artificial Intelligence for Reliable Materials Discovery

Advanced Functional Materials, EarlyView.
Physics‐Grounded Materials AI (PhysMat AI) integrates physical priors, descriptors, constraints, verification, and data infrastructure into a unified full‐stack framework, enabling reliable, interpretable, and autonomous AI‐driven materials discovery.
Yuhang Wang, Qian Wang, Seong‐Hoon Jang, Hao Li   +3 more
wiley   +1 more source

Molecular Dynamics Simulations of 4 <i>GALC</i> Variants Causing Krabbe Disease. [PDF]

Comput Struct Biotechnol J
Ankermann P, Jenne SI, Talarek J, Heger L, Socher E.   +4 more
europepmc   +1 more source

Advances in Solution‐Processed Textile Triboelectric Nanogenerators: Ink Formation, Processing Strategies, Applications, and Challenges

Advanced Functional Materials, EarlyView.
Advanced ink systems for solution‐processed textile triboelectric nanogenerators are systematically summarized, spanning conductive, tribo‐negative, and tribo‐positive layers. By connecting ink chemistry, deposition methods, and device function, the present review reveals the key governing principles of solution development and highlights practical ...
Xinlong Sun, Stephen Beeby
wiley   +1 more source

Effects of L-glutamic acid on wheat starch structure and functionality: multiscale characterization and molecular dynamics simulations. [PDF]

Food Chem X
Li G, Shen S, Wang K, Fu K, Wei J, Wei H, Zhu X, Li C, Li C.   +8 more
europepmc   +1 more source

Spatially Regulated Silicon Clusters in Trimodal Composite Anodes for High‐Energy Lithium‐Ion Batteries

Advanced Functional Materials, EarlyView.
A trimodal anode architecture spatially regulates silicon clusters within confined interstitial environments formed by graphite and contorted hexabenzocoronene. This confinement suppresses silicon aggregation and localized stress while enabling efficient Li‐ion transport, achieving high‐capacity, stable lithium‐ion batteries.
Jeongmi Joo, Minsung Kang, Seung Hak Oh, Jee Ho Ha, Hyunji Cha, Jimin Han, Ji‐Su Lim, Dae Hyeon Kwon, Won‐Jin Kwak, Sang Kyu Kwak, Seokhoon Ahn, Seok Ju Kang   +11 more
wiley   +1 more source