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Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening

Authors :
Zhenzhen Wang
Jiangjiexing Wu
Jia-Jia Zheng
Xiaomei Shen
Liang Yan
Hui Wei
Xingfa Gao
Yuliang Zhao
Source :
Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
Publication Year :
2021
Publisher :
Nature Portfolio, 2021.

Abstract

A general predicting theory for superoxide-dismutase mimicking nanomaterials is currently lacking. The present manuscript reports a density functional theory study on the superoxides dismutase-like activity of nanomaterials based on their electronic band structures and surface adsorption energies.

Subjects

Subjects :
Science

Details

Language :
English
ISSN :
20411723
Volume :
12
Issue :
1
Database :
Directory of Open Access Journals
Journal :
Nature Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.81124a44e3ab498faa9d9dc7ee3e3f09
Document Type :
article
Full Text :
https://doi.org/10.1038/s41467-021-27194-8