Insights into the biotransformation of 2,4,6-trinitrotoluene by the old yellow enzyme family of flavoproteins. A computational study-Reference-Cited by-同舟云学术

Insights into the biotransformation of 2,4,6-trinitrotoluene by the old yellow enzyme family of flavoproteins. A computational study

Published:2019 Issue:22 Volume:21 Page:11589-11598
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yang Zhilin¹²³⁴,Wei Tong¹²³⁴,Huang Hui¹²³⁴,Yang Hong¹²³⁴⁵,Zhou Yang¹²³⁴^ORCID,Xu Dingguo⁶⁷⁸⁹¹⁰^ORCID

Affiliation:

1. Institute of Chemical Materials

2. Chinese Academy of Engineering and Physics

3. 621900 Mianyang

4. China

5. School of Material Science and Engineering

6. MOE Key Laboratory of Green Chemistry & Technology

7. College of Chemistry

8. Sichuan University

9. Chengdu

10. P. R. China

Abstract

The π–π stacking and π–π interaction competition mechanism for the TNT biotransformation catalyzed by the OYE family.

Funder

China Academy of Engineering Physics

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07873D

Reference47 articles.

1. G. I. Sunahara , G.Lotufo , R. G.Kuperman and J.Hawari , Ecotoxicology of Explosives , CRC Press , Boca Raton , 2009

2. U.S. General Accountability Office, Department of Defense Operational Ranges: More Reliable Cleanup Cost Estimates and a Proactive Approach to Identifying Contamination Are Needed (GAO Publication GAO-04-601, 2004); www.gao.gov/products/GAO-04-601

3. Oxidative treatment of high explosives contaminated wastewater

4. Exposure to nitroaromatic explosives and health effects during disposal of military waste

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