Results 131 to 140 of about 9,130,676 (246)

Polymer Side‐Chain Electronic Effects Regulating Solvation Sheath for Low‐Temperature and High‐Voltage Lithium Metal Batteries

Advanced Functional Materials, EarlyView.
This work reveals the influence of polymer side‐chain electronic effects on the Li+ solvation sheath in gel polymer electrolytes. Electron‐donating side chains induce the strong Li+ coordination and FDMA‐dominated solvation, impeding Li+ desolvation, whereas electron‐withdrawing side chains weaken Li+ coordination, facilitating anion‐rich solvation and
Xianbin Wu, Zhenxiang Zhu, Haotian Yang, Dayao Zhang, Zhen Geng, Cunman Zhang, Mingzhe Xue, Jian Wang   +7 more
wiley   +1 more source

All-atom molecular dynamics simulation of Cyclophilin A in complex with Sanglifehrin A. [PDF]

PLoS One
Aliabadi Z, Mohebbi A.
europepmc   +1 more source

Drop‐on‐Demand Printed Negative Dielectric Anisotropy Liquid Crystal Droplets for Adaptive Complex Beam Manipulation and Assessment

Advanced Functional Materials, EarlyView.
Printed negative‐dielectric‐anisotropy liquid‐crystal droplets enable multidimensional full‐vectorial optical‐field sensing across polarization, phase, and wavelength, while also generating tunable skyrmionic‐like complex optical fields. ABSTRACT Adaptive manipulation of vectorial optical fields is important for optical metrology, imaging, and ...
Jinge Guo, Xuke Qiu, Runchen Zhang, Qihao Han, Liangyu Deng, Yishun Lu, Zimo Zhao, Mengmeng Li, Waqas Kamal, Junseok Ma, Yongge Ma, Steve J. Elston, Alfonso A. Castrejón‐Pita, Stephen M. Morris, Chao He   +14 more
wiley   +1 more source

Design, Synthesis, Evaluation, and Molecular Dynamics Simulation of Tadalafil Derivatives for the Treatment of Erectile Dysfunction. [PDF]

Molecules
Liu W, Zhang B, Jia Y, Kong X, Deng Y, Cui X, Yang L, Ren W, Tang X, Zhang D, Xu L.   +10 more
europepmc   +1 more source

Lewis Acid Site Engineering in MOF‐Derived Aluminum Oxide/Carbon Composites for Dechlorination of Waste Plastic Pyrolysis Oil

Advanced Functional Materials, EarlyView.
Controlled carbonization of an Al‐MOF partially decomposes its linkers, exposing coordinatively unsaturated Al centers within an oxide/carbon composite. The resulting Lewis acid sites, rather than surface area, govern organochlorine capture: the composite removes chemically diverse organochlorines from waste plastic pyrolysis oil, outperforms a ...
Seong Cheon Kim, Byeongju Jeon, Suk Hyun Lim, Eun Hee Kwon, Nam Sun Nho, Siyoung Q. Choi, Jeasung Park   +6 more
wiley   +1 more source

A Network Pharmacology and Molecular Dynamics Simulation-Based Study of Qing Run Hua Jie Decoction in Interstitial Pneumonia Treatment

Infection and Drug Resistance
Chunxiang Li,1,* Yingbin Lian,1,* Yaoshen Lin,1 Zhihua Li2 1Department of Integrative Medicine Oncology, The Second Affiliated Hospital of Fujian Medical University, Quanzhou, Fujian, 362000, People’s Republic of China; 2Department of Oncology ...
Li C, Lian Y, Lin Y, Li Z
doaj  

A New Reactive Force Field for NOx-Water Interactions: Development, Evaluation, and Molecular Dynamics Simulation of Peroxynitrite. [PDF]

J Phys Chem B
Shaban M, van Duin ACT, van Duin D, Kowalik M, Izadi ME, Weber AP, Merkert N.   +6 more
europepmc   +1 more source

Additively Manufactured Geometry‐Reconfigurable Soft Neural Probes With Monolithic Multifunctionality

Advanced Functional Materials, EarlyView.
A geometry‐reconfigured additive manufacturing strategy converts planar printed soft materials into soft compact neural probes with integrated hydrogel electrodes and microfluidic channels. The resulting NeuroMAP platform enables scalable multichannel recording, localized chemical delivery, stable in vivo electrophysiological recording, and reduced ...
Hyunjin Lee, Xinyi Wang, Sirui Li, Jihyang Park, Hyunseok Lee, Jianting Yao, Kedar Narayan, Yuqi Wang, Jiashu Ren, Yueqi Deng, Salahuddin Ahmed, Denver I. Greenawalt, Archana Pandiyan, Loganathan Veeramuthu, Chi‐Ching Kuo, Tao Zhou   +15 more
wiley   +1 more source

Molecular Dynamics Simulation of Nanostructured Grazynes for Water Desalination. [PDF]

ACS Appl Nano Mater
Calzada A, Viñes F, Gamallo P.
europepmc   +1 more source

Halide Composition Controls Phase Morphology and Device Specific Performance in Perovskite Photovoltaics and Light Emitting Diodes

Advanced Functional Materials, EarlyView.
We demonstrate that halide composition determines phase morphology, governing distinct operating mechanisms in mixed halide perovskites. Phase segregating 75% Br compositions enhance solar cell performance, whereas intrinsically phase‐separated 95% Br compositions provide stable light emitting diodes.
Tal Binyamin, Stav Rahmany, Anat Shvets, Hadar Shema, Elad Gross, Ido Hadar, Lioz Etgar   +6 more
wiley   +1 more source