Encapsulating and Decontaminating of Sarin by Heptakis(2,3,6-tri-O-Methyl)-β-Cyclodextrin: MD Simulations and QM Calculations

Author(s):  
Fatemeh Mahmoudi ◽  
Mehdi Shahraki

Chemical warfare agents (CWAs) such as sarin are still available and their toxicity is a real danger. This study aims at investigating the ability of heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin (M-β-CD) to trap and...

2006 ◽  
Vol 37 (S 1) ◽  
Author(s):  
N Iwasaki ◽  
S Miyamoto ◽  
K Ishii ◽  
T Takeda ◽  
T Ohto ◽  
...  

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