Results 191 to 200 of about 727,356 (268)

Decrypting cryptic pockets with physics-based simulations and artificial intelligence. [PDF]

Curr Opin Struct Biol
Zhang S, Bowman GR.
europepmc   +1 more source

Modulating Electrochemical CO2 Reduction Pathways via Interfacial Electric Field

Advanced Functional Materials, EarlyView.
Engineering interfacial electric fields in Cu/ITO electrodes enables precise control of CO2 reduction pathways. Charge transfer from Cu to ITO generates positively charged Cu species that steer selectivity from ethylene toward methane. This work demonstrates how interfacial electric‐field modulation can direct reaction intermediates and transform ...
Mahdi Salehi, Zhengyuan Gao, Sai Phani Kumar Vangala, Amirhossein Farzi, Hamed Heidarpour, Morgan McKee, Nikolay Kornienko, Ali Seifitokaldani   +7 more
wiley   +1 more source

Identifying Potential BACE1 Inhibitors from the ChEMBL Database Using Machine Learning and Atomistic Simulation Approaches. [PDF]

ACS Omega
Dao QT, Do TMD, Thai QM, Tran PT, Ngo ST, Nguyen TH.   +5 more
europepmc   +1 more source

Positive‐Tone Nanolithography of Antimony Trisulfide with Femtosecond Laser Wet‐Etching

Advanced Functional Materials, EarlyView.
A butyldithiocarbamic acid (BDCA) etchant is used to fabricate various micro‐ and nanoscale structures on amorphous antimony trisulfide (a‐Sb2S3) thin film via femtosecond laser etching. Numerical analysis and experimental results elucidate the patterning mechanism on gold (reflective) and quartz (transmissive) substrates.
Abhrodeep Dey, Uwe Hübner, Albane Benardais, Xiaofei Wu, Andrea Dellith, Jan Dellith, Torsten Wieduwilt, Henrik Schneidewind, Markus A Schmidt, Virginie Nazabal, Volker Deckert, Jer‐Shing Huang, Wei Wang   +12 more
wiley   +1 more source

Ionic Liquid-Electrode Interface at Saturation: To Crowd, or Not to Crowd? [PDF]

J Phys Chem Lett
Nguyen BL, Roos Nerut E, Beditski A, Kongi N, Ivanistsev V, Voroshylova IV.   +5 more
europepmc   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source

Secondary Structure Bead-Encoded Amphiphilicity Biases Peptide Self-Assembly Prediction in MARTINI Coarse-Grained Simulations. [PDF]

ACS Appl Mater Interfaces
Babić M, Mauša G, Sasselli IR, Kalafatovic D.   +3 more
europepmc   +1 more source

Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates

Advanced Functional Materials, EarlyView.
Exploring the photocatalytic reverse water–gas shift (RWGS) reaction on doped SrTiO3 nanoparticle films, reveals that normalizing catalytic rates by the catalyst's specific surface area (SSA) disentangled surface area effects from the catalyst's intrinsic material properties.
Dikshita Bhattacharyya, Baliana Shani, Isaac Holmes‐Gentle, Gerardo T Martinez, Martyn McLachlan, Nicola Seriani, Ludmilla Steier   +6 more
wiley   +1 more source

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source

Multi-scale computational insights into West Nile virus E-protein adsorption on graphene and phosphorene nanomaterials. [PDF]

Nanoscale Adv
Papalini A, Brancolini G.
europepmc   +1 more source