Results 201 to 210 of about 434,762 (285)

Short‐Wavelength Infrared Imaging with Organic Photodetectors Based on Non‐Fullerene Acceptors with Detection above 1200 nm

Advanced Materials, EarlyView.
Solution‐processed organic photodetectors (OPDs) based on two novel low band gap non‐fullerene acceptors BZIC‐2F and BZIC‐2Cl, when blended with common polymer donor P3HT, extend detection range beyond 1200 nm with superior performance, rivaling costly inorganic sensors and past literature.
Zhuoran Qiao, Sandeep Sharma, Yakun He, Marie Houot, Kun‐Han Lin, Davide Nodari, Filip Aniés, Matilde Brunetta, Patipan Sukpoonprom, Eunyoung Hong, Edoardo Angela, Zian Wang, Pichaya Pattanasattayavong, Martyn A. McLachlan, Artem Bakulin, Denis Andrienko, Frédéric Laquai, Martin Heeney, Nicola Gasparini   +18 more
wiley   +1 more source

Prediction of enzyme inhibition (IC₅₀) using a combination of protein-ligand docking and semiempirical quantum mechanics. [PDF]

J Mol Model
Glen RC, Cole JC, Stewart JJP.
europepmc   +1 more source

New‐Era Polymer Thermoelectrics: Material Innovations, Doping Frontiers, Decoupling Strategies, and Unconventional Applications

Advanced Materials, EarlyView.
The field of polymer thermoelectrics is entering a new era, featuring breakthroughs in addressing the conventional performance disparity between p‐type and n‐type polymers, pioneering doping frontiers, and sophisticated decoupling strategies. This review explores innovations in molecular design and superior stabilities, bridging the gap from ...
Suhao Wang
wiley   +1 more source

Quantum Mechanics-Based Ranking of Predicted Proteolysis Targeting Chimeras-Mediated Ternary Complexes. [PDF]

ACS Med Chem Lett
Monteleone S, Morao I, Fedorov DG, Kellici TF.   +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

Hyperthermophilic xylanase and thermophilicity analysis by molecular dynamic simulation with quantum mechanics. [PDF]

Appl Microbiol Biotechnol
Boonyapakron K, Keiser B, Prabmark K, Aiewviriyasakul K, Arunrattanamook N, Jaruwat A, Chitnumsub P, Li JY, Wong TS, Zhao XQ, Liu CG, Wei DQ, Champreda V.   +12 more
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

Real-space diffusion theory from quantum mechanics using analytic continuation. [PDF]

Heliyon
Sigalotti LDG, Rendón O, Luévano JR.
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

Unfolding the Photophysical Behavior of Luminescent Polymeric Films Containing β‑Diketonate Tetrakis Eu^III Complexes via Multilayer Quantum Mechanics. [PDF]

ACS Omega
Saraiva LF, Beltrame ACF, Bispo-Jr AG, Canisares FSM, Carneiro Neto AN, Moura RT, Kraka E, Lima SAM, Pires AM.   +8 more
europepmc   +1 more source