Results 221 to 230 of about 198,884 (270)

Molecular dynamics study of catalytic H₂/O₂ recombination on Pd, Pt, Cu, Ag, and Au nanoclusters using the universal neural network potential. [PDF]

Chem Sci
Tateishi Y, Botha LM, Kozhukhova AE, Sugimoto M, Aika KI, Bessarabov DG.   +5 more
europepmc   +1 more source

Protection and Delivery of Phytochemicals from Passive Encapsulation to Guaranteed Self‐Assembly Induced by Amyloid Template for Chronic Disease Prevention via Modulating Microbial‐Host Crosstalk

Advanced Science, EarlyView.
ABSTRACT The rising incidence of chronic diseases globally has drawn widespread attention to phytochemicals, which exert targeted preventive and alleviating effect by modulating gut microbiota; thus, a potential strategy for precision nutritional interventions is offered.
Shiqi Bai, Siying Cheng, Fengguang Ma, Xiaorong Zhang, Jianan Huang, Zhonghua Liu, Bing Hu   +6 more
wiley   +1 more source

Electrochemical Carbon Dioxide Reduction to Methanol on Copper-Based Catalysts: Mechanistic Insights and Industrial Prospects. [PDF]

Adv Mater
Bagchi D, Walter C, Tandava VSRK, Cobos-Becerra YL, Fletcher JCQ, Fischer N, Sontheimer T, Menezes PW.   +7 more
europepmc   +1 more source

Machine Learning for Green Solvents: Assessment, Selection and Substitution

Advanced Science, EarlyView.
Environmental regulations have intensified demand for green solvents, but discovery is limited by Solvent Selection Guides (SSGs) that quantify solvent sustainability. Training a machine learning model on GlaxoSmithKline SSG, a database of sustainability metrics for 10,189 solvents, GreenSolventDB is developed. Integrated with Hansen solubility metrics,
Rohan Datta, Janhavi Nistane, Abhishek Sose, Harikrishna Sahu, Rampi Ramprasad   +4 more
wiley   +1 more source

PINN-DT: Optimizing Energy Consumption in Smart Building Using Hybrid Physics-Informed Neural Networks and Digital Twin Framework with Blockchain Security. [PDF]

Sensors (Basel)
Kazemi Naeini H, Shomali R, Pishahang A, Hasanzadeh H, Asadi S, Gholizadeh Lonbar A.   +5 more
europepmc   +1 more source

Stabilization of Single Metal Atoms on Graphitic Carbon Nitride: Synthetic Strategies and Emerging Applications

Advanced Science, EarlyView.
This review highlights recent advancements in stabilizing single metal atoms on graphitic carbon nitride emphasizing innovative synthesis strategies and emerging applications in electrocatalysis, photocatalysis and organic transformations, along with key challenges and future perspective. Abstract Emerging as a new frontier in catalysis science, single‐
Wenyao Zhang, Junjie Cui, Zhenjie Yao, Boyuan Zhu, Nithinraj Panangattu Dharmarajan, Ajayan Vinu, Junwu Zhu   +6 more
wiley   +1 more source

Design of Novel Iminocoumarins for D‑π‑A System DSSCs: A (TD)DFT Study. [PDF]

ACS Omega
Rocha PLL, Barbosa PL, Borges AA, Evangelista E, de Almeida IS, Forezi LDSM, Fiorot RG.   +6 more
europepmc   +1 more source

Direct Recycling of Mixed‐Oxide Cathodes: Balancing Cost, Performance and Environmental Trade‐Offs

Advanced Science, EarlyView.
Direct regeneration routes for mixed‐oxide lithium‐ion battery cathodes are systematically compared using harmonized techno‐economic, electrochemical, and environmental metrics. Solid‐state, hydrothermal, molten salt, electrochemical, and chemical relithiation methods are benchmarked to identify performance, cost, and sustainability trade‐offs.
Evgenii Beletskii, Elizaveta Evshchik, Anna Shikhovtseva, Valery Kolmakov, Andrey Popov, Svetlana Eliseeva, Lyubov Shmygleva, Yurii K. Gun'ko, Valentin Romanovski   +8 more
wiley   +1 more source

Polariton Control of Molecular Charge Transfer in Perylene Diimide Semiconductors. [PDF]

J Phys Chem Lett
Fei R, Quirós-Cordero V, Wright D, Ghoshal D, Johnson JC, Smalyukh II, Silva-Acuña C, Stingelin N, van de Lagemaat J.   +8 more
europepmc   +1 more source

Lewis Pair‐Engineered CuMnOx as Cold‐Adapted Multinanozyme for Cooperative Hydrolytic and Oxidative Degradation of Raw Corn Stalk

Advanced Science, EarlyView.
A Lewis pair site design strategy was established to construct Cu‐doped Mn‐based amorphous nanozymes, where Mn and oxygen vacancies generate cooperative acid‐base pairs. The resulting multinanozyme integrates glycosidase‐, oxidase‐, and cold‐adapted enzyme‐mimicking activities, enabling cooperative depolymerization of cellulose and hemicellulose ...
Huile Liu, Ziyi Di, Qing Tian, Yue Zhou, Rong Yang, Zhiyi Bai, Haoyu Wang, Yao Chen, Lianbing Zhang   +8 more
wiley   +1 more source