Results 161 to 170 of about 8,649 (251)

The Role of the Electronic Structure during Protein Folding through Electron Density-Based Quantum Chemical Descriptors. [PDF]

ACS Omega
Rocha-Santos A, Grillo IB, Aires Urquiza-Carvalho G, Rocha GB.   +3 more
europepmc   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +1 more source

Interpretable, physics-informed learning reveals sulfur adsorption and poisoning mechanisms in 13-atom icosahedra nanoclusters. [PDF]

Sci Rep
Monteiro RF, Palheta JMT, Grison TG, Filho OR, Parreira RLT, Guedes-Sobrinho D, Rêgo CRC, Dias AC, Batista KEA, Piotrowski MJ.   +9 more
europepmc   +1 more source

Dexime: A Selectively Enzyme‐Degradable Hydrogel for Protein Therapeutic Release

Advanced Materials, EarlyView.
A dextrin‐oxime hydrogel (dexime) is produced using ketone or aldehyde modified dextrin and tetra‐oxyamine modified poly(ethylene glycol). The rheological and mechanical properties of dexime are tunable. Dexime is injectable, cytocompatible, hydrolytically stable, and selectively degradable by α‐amylase.
Quinton E. A. Sirianni, Nitzan Letko Khait, Adam Forman, Edward A. Armstrong, Karim Fouad, Molly S. Shoichet   +5 more
wiley   +1 more source

A Machine Learning Quest to Design Molecular Graph Fingerprints of Organic Chromophores for Adjusting Photoluminescent Quantum Yields. [PDF]

ACS Omega
Aljaafreh MJ, Sumrra SH, Noreen S.
europepmc   +1 more source

Turning Unpredictable Biomolecule Adsorption to Controlled Corona Formation: Focus on Carbon Nanomaterials

Advanced Materials, EarlyView.
Controlling the protein corona formation onto carbon nanomaterials (CNMs) enhances their functionalities as platforms for cancer theranostics. Here, we reviewed the effects of the intrinsic and acquired properties of CNMs on protein corona formation, the consequent biological and toxicological outcomes, and the strategies to reshape corona formation ...
Yajuan Zou, Yalei Hu, Jie Yu, Naoki Komatsu, Yuta Nishina, Alberto Bianco   +5 more
wiley   +1 more source

Information-Theoretic and Conceptual Density Functional Theory Insights on Frustration in Molecular Clusters. [PDF]

Entropy (Basel)
Zhao X, Yan Z, Zeng L, Zheng Y, Rong C.
europepmc   +1 more source

Neuromorphic Electronics for Intelligence Everywhere: Emerging Devices, Flexible Platforms, and Scalable System Architectures

Advanced Materials, EarlyView.
The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj, Roshni Satheesh Babu, Yuxin Xia, Eva Bestelink, Radu Sporea, Nikos Hastas, Ioannis Zeimpekis, Dimitra G. Georgiadou, Sayani Majumdar   +8 more
wiley   +1 more source

DFT study on tunable electronic and adsorption properties of poly(vinyl alcohol)/copper oxide/graphene oxide hybrid nanostructures. [PDF]

Sci Rep
Ibrahim A, El Aal MA, El-Zahed H, Mabied AF.   +3 more
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