Results 131 to 140 of about 1,553 (242)

Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations. [PDF]

J Chem Theory Comput
Hilfiker M, Medrano Sandonas L, Tkatchenko A, Engkvist O, Klähn M.   +4 more
europepmc   +1 more source

Bubble Formation Control: Fabrication of Centimeter‐Sized Tissue‐Like Constructs by Catalase‐Coated Oxygen‐Releasing Hydrogel

Advanced Materials, EarlyView.
Oxygen‐releasing hydrogels are widely used to support cell survival in 3D cultures and to promote wound healing. However, incorporating catalase to convert H2O2 into O2 often generates additional oxygen bubbles, leading to material instability which rarely addressed.
Sukulya Bunuasunthon, Isabel F. Amaral, Ana P. Pêgo, Michiya Matsusaki   +3 more
wiley   +1 more source

Atomistic characterization of the maturation mechanisms in the HIV-1 capsid domain. [PDF]

Nat Commun
Cannistra C, Wang E, Lee EMY, Yu A.
europepmc   +1 more source

Clustomesogen Showing Sub‐Zero Liquid Crystal Properties: Supramolecular Assembly Between Cs2[Mo6Ii8(OCOC2F5)6] and Hexaethylenoxide Containing Mesogenic Dimers

Advanced Materials, EarlyView.
Associating a red‐NIR phosphorescent octahedral hexanuclear molybdenum cluster compound with hexaethyleneoxide chains bearing mesogenic units on both ends leads to an emissive hybrid liquid crystal showing mesomorphism on a very unusual temperature range down to −25°C.
Killiann Heinz, Jeanne Rebours, Zoulikha Zerrouqi, Noée Dumait, Maria Amela‐Cortes, Nikolai Scheuring, Sara Simonovska, Sebastian Marino, Max Ebert, Stéphane Cordier, Sabine Laschat, Yann Molard   +11 more
wiley   +1 more source

Electrolyte Chemistry Development for Sodium-Based Batteries: A Blueprint from Lithium or a Step Toward Originality? [PDF]

Angew Chem Int Ed Engl
Song Z, Xing Z, Yang J, Chen J, Hu W, Li P, Feng W, Eshetu GG, Figgemeier E, Passerini S, Armand M, Zhou Z, Zhang H.   +12 more
europepmc   +1 more source

When Poor Exciton Dissociation Limits Photocurrents in Organic Solar Cells: Why Low Offset Non‐Fullerene Acceptor Blends Can't Be Efficient

Advanced Materials, EarlyView.
The energetic offset between the donor and the acceptor components in organic photoactive layers is central to the tradeoff between photovoltage and photocurrent losses. This Perspective covers the most important issues surrounding this topic in non‐fullerene acceptor blends, from the difficulty of accurately determining state energies and driving ...
Dieter Neher, Manasi Pranav
wiley   +1 more source

Ion Adsorption at Surfaces from Local and Global Electroneutrality Constraints. [PDF]

Langmuir
Ploetz EA, Smith PE.
europepmc   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Analysis of Charge Parameter Characteristics of Graphene Partial Discharge Sensor Based on First-Principles Study. [PDF]

Micromachines (Basel)
Zhang H, Jia P, Nie M, Zhu J, Li Z.
europepmc   +1 more source

Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond

Advanced Materials, EarlyView.
Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang, Avirup Sardar, Weijie Ji, Zhongyu Liu, Rongchao Jin   +4 more
wiley   +1 more source