Results 251 to 260 of about 3,784,520 (317)

Metal Oxide Nano‐Interface Boosting the Deep Ultraviolet Adjustable Noise‐Filtering In‐Sensor Computing

Advanced Materials, EarlyView.
We show that sol‐gel‐fractured indium–magnesium oxide combines deep‐ultraviolet responsivity, high carrier mobility, and an excellent memory dynamic range. This unique materials platform enables deep‐ultraviolet long‐afterglow light‐emitting devices with multifunctional integration.
Zhongshi Ju, Peng Li, Jingsong Yuan, Boyuan Yu, Bin Han, Yusheng Chen, Jiangang Ma, Haiyang Xu, Yichun Liu, Paolo Samorì   +9 more
wiley   +1 more source

Synthesis, Cytotoxic Activity, Antiquorum Sensing Effect, Docking and Md Simulation of Novel 1,3-Disubstituted 2-Mercapto-1H-Benzo[D]Imidazolium Chlorides. [PDF]

J Biochem Mol Toxicol
Mavvaji M, Muhammed MT, Onem E, Aslan HG, Alhag SK, Akkoc S.   +5 more
europepmc   +1 more source

Data‐Driven Materials Science for Energy‐Sustainable Applications

Advanced Materials, EarlyView.
Data‐driven approaches powered by artificial intelligence are transforming materials discovery for energy sustainability. This review examines how auto‐generated high‐quality materials databases and domain‐specific language models accelerate research in photovoltaics, thermoelectrics, batteries and magnetic materials. Applications involve extraction of
Jacqueline M. Cole
wiley   +1 more source

Study of 1,3-Dipolar Cycloaddition Between 4-Acyl-1H-pyrrole-2,3-diones Fused at the [e]-Side with a Heterocyclic Moiety and Diphenylnitrone: A Comprehensive MEDT, Docking Approach and MD Simulation. [PDF]

Molecules
Ameur S, Kącka-Zych A, Moussa Z, Alsantali RI, Zeroual A, Alluhaibi MS, Alsimaree AA, Ahmed SA.   +7 more
europepmc   +1 more source

Sustainable and Multifunctional Natural Macromolecular Polymers for Aqueous Zn Metal Batteries

Advanced Materials, EarlyView.
We comprehensively review the structure‐function relationships and regulatory mechanism of natural macromolecular polymers in stabilizing zinc anodes at the microscopic and mesoscopic scales. The interactions among polymer structures, optimization strategies, and regulatory mechanisms are discussed systematically summarizing recent related research ...
Yunuo Shi, Bo Jiang, Jingcheng Zhang, Xiaodong Shao, Peixun Xiong, Lutong Shan, Shengyang Huang, Mengfang Liang, Mengyao Chang, Fangyan Liu, Wenwu Li, Baoyu Xia, Wei Ji, Ho Seok Park   +13 more
wiley   +1 more source

Integrated virtual screening and MD simulation study to discover potential inhibitors of mycobacterial electron transfer flavoprotein oxidoreductase. [PDF]

PLoS One
Arshad K, Salim J, Talat MA, Ashraf A, Kanwal N.   +4 more
europepmc   +1 more source

Electrolyte Design for Fast‐Charging Lithium‐Based Batteries

Advanced Materials, EarlyView.
A decade of progress in fast‐charging electrolytes for lithium batteries is reviewed. Electrolyte design strategies spanning solvents, salts, additives, and advanced systems, such as localized high‐concentration electrolytes (LHCEs), are summarized. Advanced diagnostic tools for lithium plating and interphase chemistry are discussed, with perspectives ...
Chen Liu, Zehao Cui, Arumugam Manthiram
wiley   +1 more source

Identification of novel PAD2 inhibitors using pharmacophore-based virtual screening, molecular docking, and MD simulation studies. [PDF]

Sci Rep
Jha P, Rajoria P, Poonia P, Chopra M.
europepmc   +1 more source

6-Bromo quinazoline derivatives as cytotoxic agents: design, synthesis, molecular docking and MD simulation. [PDF]

BMC Chem
Emami L, Hassani M, Mardaneh P, Zare F, Saeedi M, Emami M, Khabnadideh S, Sadeghian S.   +7 more
europepmc   +1 more source

MD Simulations (supporting files)

openaire   +2 more sources