Progress in the Computer-Aided Analysis in Multiple Aspects of Nanocatalysis Research.

Autor: Fan L; Medical School of Nanjing University, Nanjing, 210093, P. R. China.; School of Integrated Circuit Science and Engineering (Industry-Education Integration School), Nanjing University of Posts and Telecommunications, Nanjing, 210023, P. R. China., Shen Y; School of Integrated Circuit Science and Engineering (Industry-Education Integration School), Nanjing University of Posts and Telecommunications, Nanjing, 210023, P. R. China., Lou D; Nanjing Institute for Food and Drug Control, Nanjing, 211198, P. R. China., Gu N; Medical School of Nanjing University, Nanjing, 210093, P. R. China.
Jazyk: angličtina
Zdroj: Advanced healthcare materials [Adv Healthc Mater] 2024 Jun 27, pp. e2401576. Date of Electronic Publication: 2024 Jun 27.
DOI: 10.1002/adhm.202401576
Abstrakt: Making the utmost of the differences and advantages of multiple disciplines, interdisciplinary integration breaks the science boundaries and accelerates the progress in mutual quests. As an organic connection of material science, enzymology, and biomedicine, nanozyme-related research is further supported by computer technology, which injects in new vitality, and contributes to in-depth understanding, unprecedented insights, and broadened application possibilities. Utilizing computer-aided first-principles method, high-speed and high-throughput mathematic, physic, and chemic models are introduced to perform atomic-level kinetic analysis for nanocatalytic reaction process, and theoretically illustrate the underlying nanozymetic mechanism and structure-function relationship. On this basis, nanozymes with desirable properties can be designed and demand-oriented synthesized without repeated trial-and-error experiments. Besides that, computational analysis and device also play an indispensable role in nanozyme-based detecting methods to realize automatic readouts with improved accuracy and reproducibility. Here, this work focuses on the crossing of nanocatalysis research and computational technology, to inspire the research in computer-aided analysis in nanozyme field to a greater extent.
(© 2024 Wiley‐VCH GmbH.)
Databáze: MEDLINE
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