Insights into Catalytic Gas-Phase Hydrolysis of Organophosphate Chemical Warfare Agents by MOF-Supported Bimetallic Metal-Oxo Clusters

2020 ◽  
Vol 12 (13) ◽  
pp. 14631-14640 ◽  
Author(s):  
Haoyuan Chen ◽  
Randall Q. Snurr
2016 ◽  
Vol 55 (26) ◽  
pp. 7403-7407 ◽  
Author(s):  
Weiwei Guo ◽  
Hongjin Lv ◽  
Kevin P. Sullivan ◽  
Wesley O. Gordon ◽  
Alex Balboa ◽  
...  

2020 ◽  
Vol 384 ◽  
pp. 121279 ◽  
Author(s):  
Marta Lafuente ◽  
Diego Sanz ◽  
Miguel Urbiztondo ◽  
Jesús Santamaría ◽  
María Pilar Pina ◽  
...  

2018 ◽  
Vol 16 (47) ◽  
pp. 9285-9291 ◽  
Author(s):  
Craig Wilson ◽  
Nicholas J. Cooper ◽  
Michael E. Briggs ◽  
Andrew I. Cooper ◽  
Dave J. Adams

A range of nitrogen containing bases was tested for the hydrolysis of a nerve agent simulant, methyl paraoxon (MP), and the chemical warfare agents, GB and VX.


ChemInform ◽  
2016 ◽  
Vol 47 (35) ◽  
Author(s):  
Weiwei Guo ◽  
Hongjin Lv ◽  
Kevin P. Sullivan ◽  
Wesley O. Gordon ◽  
Alex Balboa ◽  
...  

2018 ◽  
Vol 267 ◽  
pp. 457-466 ◽  
Author(s):  
Marta Lafuente ◽  
Ismael Pellejero ◽  
Víctor Sebastián ◽  
Miguel A. Urbiztondo ◽  
Reyes Mallada ◽  
...  

Acta Naturae ◽  
2018 ◽  
Vol 10 (4) ◽  
pp. 121-124 ◽  
Author(s):  
A. S. Zlobin ◽  
A. O. Zalevsky ◽  
Yu. A. Mokrushina ◽  
O. V. Kartseva ◽  
A. V. Golovin ◽  
...  

In this paper, we, for the first time, describe the interaction between the butyrylcholinesterase enzyme and echothiophate, a popular model compound and an analogue of the chemical warfare agents VX and VR, at the atomistic level. Competition between the two echothiophate conformations in the active site was found using molecular modeling techniques. The first one is close to the mode of binding of the substrates of choline series (butyrylcholine and butyrylthiocholine) and is inhibitory, since it is unable to react with the enzyme. The second one is characterized by a significantly worse estimated binding affinity and is reactive. Thus, echothiophate combines the features of two types of inhibitors: competitive and suicidal. This observation will help clarify the kinetic reaction scheme in order to accurately assess the kinetic constants, which is especially important when designing new butyrylcholinesterase variants capable of full-cycle hydrolysis of organophosphorus compounds.


2021 ◽  
Vol 893 ◽  
pp. 3-10
Author(s):  
Lev Bromberg ◽  
Xiao Su ◽  
Vladimir Martis ◽  
T. Alan Hatton

Polyamines are water-soluble polyelectrolytes with the amino groups that can be used to attach the polymers onto functional surfaces of fibrous materials. In addition, polyamines can be readily modified by (super) nucleophilic groups such as (alkyl) aminopyridines that enhance the polymer’s ability to promote hydrolysis of organophosphorous chemical warfare agents. Furthermore, attachment of hydantoin moieties augments the number of the imide, amide, or amine groups on the polyamine’s chain, which provides oxidizing properties to the resulting modified polyamine after halogenation. We report on polyamines with side chains modified to contain both (4-aminopyridine, APy) and 5-(4-hydroxybenzylidene) hydantoin (HBH) functionalities with enhanced content of the active bromine. Virucidal activity of the APy-and HBH-modified polyallylamine against human coronavirus (type 229E) was tested both in solution and on nylon-cotton fabric. The polymers appeared to be effective in inactivation of the coronavirus, at both low concentrations and short exposure times.


2016 ◽  
Vol 128 (26) ◽  
pp. 7529-7533 ◽  
Author(s):  
Weiwei Guo ◽  
Hongjin Lv ◽  
Kevin P. Sullivan ◽  
Wesley O. Gordon ◽  
Alex Balboa ◽  
...  

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