Results 181 to 190 of about 1,951,898 (293)

Simulating Dilute-Solution Properties and Behavior of Flexible Macromolecules: A Review of Brownian Dynamics, Monte Carlo Methods, and Computational Tools (SIMUFLEX and MONTEHYDRO) with Applications to Biomacromolecules and Selected Synthetic Polymers. [PDF]

Int J Mol Sci
García de la Torre J, Hernández-Cifre JG.   +1 more
europepmc   +1 more source

Photo‐Induced Stepwise Liquid Crystal Phase Transition Enabled by Hydrazone Photoswitch

Advanced Science, EarlyView.
A judiciously designed bistable hydrazone photoswitch enables a photo‐induced stepwise “order‐disorder” phase transition in liquid crystals. The linear‐to‐bent isomerization disrupts molecular packing, allowing precise tuning of phase transition temperatures.
Shijie Liu, Yuxin Zhou, Junwen Chen, Yexin Wang, Yiqiu Lv, Panjie Wang, Wenqi Yu, Gege Meng, Jiayi Yu, Chunhua Lin, Guo‐Hua Hu, Ruochen Lan   +11 more
wiley   +1 more source

Temperature-Dependent Dynamics of Aβ42 and α-Synuclein Monomers and Early Oligomerization of Aβ42: Shared Residues Mediate Intra- and Intermolecular β-Sheets. [PDF]

ACS Chem Neurosci
Martins GF, Rocha C, Galamba N.
europepmc   +1 more source

Spatiotemporally Precise Rheumatoid Arthritis Therapy via a Triple‐Locked Cascaded Nanoplatform With Dual‐Channel Self‐Reporting

Advanced Science, EarlyView.
An orthogonally programmable nanotheranostic (MB@YW NPs) enables precision therapy for rheumatoid arthritis. A triple‐locked (pH, HOCl/ONOO−, light) independently drives the release of methotrexate and sulfasalazine. Trackable by dual‐channel fluorescence, this coordinated drug delivery remodels the inflammatory microenvironment to markedly suppress ...
Jihong Liu, Wendi Zhu, Shiyun Xu, Shichang Liu, Wenjun Tang, Xiaoyu Ma, Ting Yang, Haojian Yang, Hongtong Wang, Lu Cao, Lijie Tan, Qi Wang   +11 more
wiley   +1 more source

Beyond Charge: Field‐Effect Transistors in Multimodal Biosensing Platforms for Biomolecular Interaction Studies

Advanced Electronic Materials, EarlyView.
This review summarizes the developments in field‐effect transistor (FET)‐based dual‐mode sensor platforms and what can be learned from them. It identifies charge as a crucial factor in biomolecular interactions at interfaces, outlines the challenges of hybrid systems, and highlights their benefits.
Roger Hasler, Ciril Reiner‐Rozman, Christoph Kleber, Jakub Dostalek, Wolfgang Knoll   +4 more
wiley   +1 more source

Stretching decelerates ring-opening metathesis at cis-olefins in stressed molecular bows. [PDF]

Nat Commun
Jiang L, Li G, Liu J, Wang Y, Chen J, Tang ZB, Liang K, Yin J, Peng Z, Dou W, Li S, Liu Z.   +11 more
europepmc   +1 more source

Core and π‐Bridge Engineering to Deconstruct Y6‐Series into Modular Non‐Fused Acceptors: DFT‐Guided Structure‐Property Map for Organic Solar Cells

Advanced Electronic Materials, EarlyView.
The rigid fused backbone of Y6‐series acceptors is deconstructed into a modular, non‐fused A‐π‐A′‐π‐A architecture. Comprehensive quantum chemical simulations reveal that strategic core and π‐bridge engineering preserves strong near‐infrared light‐harvesting and enhances intramolecular charge‐transfer character.
Qurat ul Ain, Waqas Akram, Hasan Yaqoob, Munazza Shahid, Abdul Majid, Muhammad Altaf, Christian B. Nielsen, Raja Shahid Ashraf   +7 more
wiley   +1 more source

Investigating the structural changes of myosin under high pressure processing by molecular dynamics simulations. [PDF]

Curr Res Food Sci
Wang X, Tang J, Ramaswamy HS, Duan H, Wang C.   +4 more
europepmc   +1 more source

Pairing Non‐Fullerene Acceptors With the Right Polymer: Impact of Phase Morphology and Short‐Range Transport on Charge Generation

Advanced Electronic Materials, EarlyView.
This study investigates polymer requirements for pairing with high‐efficiency non‐fullerene acceptors (NFA) in organic photovoltaics by comparing three polymer blends across varied phase morphologies. The generation of free charges is driven by fast transport‐assisted charge separation combined with slow intrinsic recombination.
Yufei Zhong, Gareth John Moore, Subhrangsu Mukherjee, Yanfang Geng, Nikolaos Droseros, Martina Causa’, Lee J. Richter, Dean M. DeLongchamp, Erjun Zhou, Natalie Banerji   +9 more
wiley   +1 more source

Free Charge Generation in Organic Photoconversion Devices–the Impact of Electrostatic Potentials

Advanced Energy Materials, EarlyView.
Free charge generation in organic photovoltaic and photodetector devices typically requires an external driving force to separate bound excitons formed upon photoexcitation. This review details how electrostatic potentials, arising from molecular charge distributions in organic semiconductors, can impact interfacial energetic landscapes and promote ...
Emily J. Yang, Song Yi Park, Vick Y. Qiu, Ji‐Seon Kim   +3 more
wiley   +1 more source