Results 231 to 240 of about 456,980 (284)

Bioinspired Polypeptide Dendrimer‐Modified Thin‐Film Composite Membranes for Selective Lithium‐Magnesium Separation with DFT Insights

Advanced Functional Materials, EarlyView.
We fabricated a biomimetic dendrimer‐modified thin‐film nanocomposite membrane with a coordination‐assisted ion‐selective interface. pH‐responsive polypeptide sites preferentially bind Mg2+ and promote Li+ permeation, as predicted by density functional theory calculations of metal‐ligand interactions.
Mehrasa Yassari, Seyedeh Fatemeh Seyedpour, Bamlak Setegne, Amir Aghaei, Behzad Ahvazi, Mostafa Dadashi Firouzjaei, Mark Elliott, Mohtada Sadrzadeh   +7 more
wiley   +1 more source

Elucidating structural and molecular requirements of somatostatin subtype-4 agonist bound complexes using quantum mechanics approaches.

Org Biomol Chem
Slater O, Kontoyianni M.
europepmc   +1 more source

Metaphysical indeterminacy in Everettian quantum mechanics. [PDF]

Eur J Philos Sci
Glick D, Le Bihan B.
europepmc   +1 more source

Frontier Advances of Emerging High‐Entropy Anodes in Alkali Metal‐Ion Batteries

Advanced Functional Materials, EarlyView.
Recent advances in microscopic morphology control of high‐entropy anode materials for alkali metal‐ion batteries. Abstract With the growing demand for sustainable energy, portable energy storage systems have become increasingly critical. Among them, the development of rechargeable batteries is primarily driven by breakthroughs in electrode materials ...
Liang Du, Kaidi Zhang, Liang Wang, Di Zhao, Mengqing Hu, Mingli Li, Ming Zhou, Zhenzhen Wu, Mengyang Dong, Bo Fu, Porun Liu, Yun Wang, Hongxia Wang, Yuantong Gu, Lei Zhang   +14 more
wiley   +1 more source

Quantum Mechanics Characterization of Non-Covalent Interaction in Nucleotide Fragments. [PDF]

Molecules
Tarek Ibrahim M, Wait E, Ren P.
europepmc   +1 more source

Intrinsic Nanopore‐Assisted SnP2S6 Memristors With Ti Ion Dynamics for Compact Logic‐In‐Memory Hardware

Advanced Functional Materials, EarlyView.
Tin hexathiophosphate memristors leverage intrinsic nanopores together with a guided filament formation strategy to regulate titanium ion motion and switching behavior. The devices support reliable nonvolatile memory and reconfigurable logic‐in‐memory, demonstrating 14 Boolean logic functions in a single cell.
Thaw Tint Te Tun, Sanchali Mitra, Hongxi Su, Jiali Huo, Haofei Zheng, Michel Bosman, Yee Sin Ang, Kah‐Wee Ang   +7 more
wiley   +1 more source

Quantum mechanics of particles constrained to spiral curves with application to polyene chains. [PDF]

J Mol Model
Anjos EVS, Pavão AC, da Silva LCB, Bastos CC.   +3 more
europepmc   +1 more source

Artificial Intelligence as the Next Visionary in Liquid Crystal Research

Advanced Functional Materials, EarlyView.
The functions of AI in the research laboratory are becoming increasingly sophisticated, allowing the entire process of hypothesis formulation, material design, synthesis, experimental design, and reiterative testing to be automated. In our work, we conceive how the incorporation of AI in the laboratory environment will transform the role and ...
Mert O. Astam, Ouassim L'Karkouri, Danqing Liu   +2 more
wiley   +1 more source

Identification of Novel Compounds That Bind to the HGF β-Chain In Silico, Verification by Molecular Mechanics and Quantum Mechanics, and Validation of Their HGF Inhibitory Activity In Vitro. [PDF]

Molecules
Suzuki K, Inoue K, Namiguchi R, Morita S, Hayakawa S, Yokota M, Sakai K, Matsumoto K, Aoki S.   +8 more
europepmc   +1 more source

Self‐Hybridized Exciton‐Polariton Photodetectors From Layered Metal‐Organic Chalcogenolates

Advanced Functional Materials, EarlyView.
Self‐hybridized exciton‐polariton photodetectors are demonstrated using high refractive index mithrene, eliminating the need for top mirrors. This simplified architecture enables tunable sub‐bandgap photodetection via lower exciton‐polariton states and enhanced carrier transport through ultrafast polariton group velocities.
Bongjun Choi, Adam D. Alfieri, Wangleong Chen, Deep Jariwala   +3 more
wiley   +1 more source