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

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.

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Autores principales:	Zhenzhen Wang, Jiangjiexing Wu, Jia-Jia Zheng, Xiaomei Shen, Liang Yan, Hui Wei, Xingfa Gao, Yuliang Zhao
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/81124a44e3ab498faa9d9dc7ee3e3f09
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spelling	oai:doaj.org-article:81124a44e3ab498faa9d9dc7ee3e3f092021-11-28T12:31:11ZAccelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening10.1038/s41467-021-27194-82041-1723https://doaj.org/article/81124a44e3ab498faa9d9dc7ee3e3f092021-11-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-27194-8https://doaj.org/toc/2041-1723A 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.Zhenzhen WangJiangjiexing WuJia-Jia ZhengXiaomei ShenLiang YanHui WeiXingfa GaoYuliang ZhaoNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Zhenzhen Wang Jiangjiexing Wu Jia-Jia Zheng Xiaomei Shen Liang Yan Hui Wei Xingfa Gao Yuliang Zhao Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening
description	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.
format	article
author	Zhenzhen Wang Jiangjiexing Wu Jia-Jia Zheng Xiaomei Shen Liang Yan Hui Wei Xingfa Gao Yuliang Zhao
author_facet	Zhenzhen Wang Jiangjiexing Wu Jia-Jia Zheng Xiaomei Shen Liang Yan Hui Wei Xingfa Gao Yuliang Zhao
author_sort	Zhenzhen Wang
title	Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening
title_short	Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening
title_full	Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening
title_fullStr	Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening
title_full_unstemmed	Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening
title_sort	accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/81124a44e3ab498faa9d9dc7ee3e3f09
work_keys_str_mv	AT zhenzhenwang accelerateddiscoveryofsuperoxidedismutasenanozymesviahighthroughputcomputationalscreening AT jiangjiexingwu accelerateddiscoveryofsuperoxidedismutasenanozymesviahighthroughputcomputationalscreening AT jiajiazheng accelerateddiscoveryofsuperoxidedismutasenanozymesviahighthroughputcomputationalscreening AT xiaomeishen accelerateddiscoveryofsuperoxidedismutasenanozymesviahighthroughputcomputationalscreening AT liangyan accelerateddiscoveryofsuperoxidedismutasenanozymesviahighthroughputcomputationalscreening AT huiwei accelerateddiscoveryofsuperoxidedismutasenanozymesviahighthroughputcomputationalscreening AT xingfagao accelerateddiscoveryofsuperoxidedismutasenanozymesviahighthroughputcomputationalscreening AT yuliangzhao accelerateddiscoveryofsuperoxidedismutasenanozymesviahighthroughputcomputationalscreening
_version_	1718407899650195456

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

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