Results 221 to 230 of about 112,578 (285)

Protein Titration Benchmark of CHARMM36, Amber99sb-ildn, Amber14sb, OPLS-AA/M, and Martini 2 Force Fields for Constant pH Molecular Dynamics in GROMACS. [PDF]

J Chem Theory Comput
Aho N.
europepmc   +1 more source

Combating Inflammation and Promoting Anabolism in Osteoarthritic Cartilage Defect With an MMP13‐Sensing Dual‐Drug Scaffold

Advanced Science, EarlyView.
ABSTRACT Osteoarthritis (OA) is a widespread degenerative joint condition marked by progressive cartilage breakdown, and a chronic inflammatory microenvironment, where conventional therapies largely fail to halt disease progression. To address this unmet need, an intra‐articularly implantable, disease‐responsive scaffold was developed for combinatorial
Zhen Zhang, Bangheng Liu, Yulei Mu, Huiqun Zhou, Liang Ma, Chenjie Xu, Dong‐An Wang   +6 more
wiley   +1 more source

Insights on the effect of extracellular acidification on an HCN channel: A molecular dynamics study. [PDF]

PLoS One
Asgharpour S, Lazaratos M, Spehr M, Carloni P.   +3 more
europepmc   +1 more source

A Review on Catalytic Nanostructured Electrodes for Wearable and Implantable Abiotic Glucose Fuel Cells

Advanced Science, EarlyView.
This review identifies current and future directions in abiotic nanostructured catalysts to develop reliable and sustainable glucose fuel cells to power the next generation of bioelectronic devices. ABSTRACT The global rise in incidence of chronic diseases has led to the demand for innovative solutions that help patients manage their conditions with ...
Asghar Niyazi, Hannah S. Leese, Benjamin Metcalfe, Mirella Di Lorenzo   +3 more
wiley   +1 more source

First-Principles Insights into Proton-Coupled Electron Transfer versus Hydrogen Evolution Reaction Selectivity from a Base-Appended Cobaltocene Mediator. [PDF]

Inorg Chem
Banerjee S, Peters JC.
europepmc   +1 more source

Recent Advances in Laser‐Induced Graphene‐Based Gas Sensors: From Sensing Mechanisms to Biomedical Applications

Advanced Science, EarlyView.
Laser‐induced graphene (LIG) provides a scalable, laser‐direct‐written route to porous graphene architecture with tunable chemistry and defect density. Through heterojunction engineering, catalytic functionalization, and intrinsic self‐heating, LIG achieves highly sensitive and selective detection of NOX, NH3, H2, and humidity, supporting next ...
Md Abu Sayeed Biswas, Ankan Dutta, Shuvendu Das, Abu Musa Abdullah, Wanqing Zhang, Fatema Tuz Zohra, Huanyu Cheng   +6 more
wiley   +1 more source

Mechanism for Aromatic Nitration Catalyzed by Cytochrome P450 Enzymes from Rufomycin Biosynthesis. [PDF]

J Am Chem Soc
Kirk AM, Gullick J, Zhao Y, Schittenhelm RB, Feixas F, Tomita H, Katsuyama Y, Ohnishi Y, De Voss JJ, Cryle MJ, Garcia-Borràs M.   +10 more
europepmc   +1 more source

Atomic Tuning of Metal‐Support Interactions for Pathway‐Selective CO2 Photoreduction on TiO2

Advanced Science, EarlyView.
Single‐atom Fe and Cu catalysts anchored on TiO2 steer photocatalytic CO2 reduction toward distinct pathways. Fe sites favor rapid *CO desorption and selective CO formation, whereas Cu sites stabilize *CHO intermediates, enabling deep reduction and C─C coupling. Combined spectroscopy and DFT calculations reveal how metal–support interactions and oxygen
Dongyun Kim, Wonjae Ko, Byoung‐Hoon Lee, Sanghoon Kim, Yun Do Kim, Hyunsoo Ahn, Yoon Jung, Chan Woo Lee, Kug‐Seung Lee, Eunhee Gong, Junho Lee, Minho Kim, Taeghwan Hyeon, Su‐Il In   +13 more
wiley   +1 more source

Reaction of Cysteine and Selenocysteine with a Model Au(I)-N-Heterocyclic Carbene Complex: A QM and QM/MM MD Comparative Study. [PDF]

Inorg Chem
Říha M, Munzarová M, Burda JV.
europepmc   +1 more source

Underground Signals: The Ecological Power of Root Volatiles

Advanced Science, EarlyView.
Root volatiles mediate rhizosphere chemical communication, shaping interactions among plants, microbes, herbivores, and natural enemies. Their production, transport, and perception underpin ecological adaptation, multitrophic interactions, and plant resilience, offering opportunities for sustainable crop protection, resilient agroecosystems, and ...
Xueyao Cao, Nanli Song, François Verheggen, Meritxell Pérez‐Hedo, Andrea Clavijo McCormick, Antonino Cusumano, Arthur de Fouchier, Bing Wang, Chen‐Zhu Wang, Emmanuelle Jacquin‐Joly, Gary W. Felton, Geoff M. Gurr, Hao Guo, Jiancai Li, Jin Zhang, Li Chen, Manqun Wang, Michele Ricupero, Peng Han, Peng He, Qi Yan, Qingbo Tang, Qingsong Liu, Shiheng An, Xiangbo Kong, Xiaoling Sun, Xueming Ren, Yuanyuan Song, Yang Liu, Yanhui Guo, Yunhe Li, Xiao Sun   +31 more
wiley   +1 more source