Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models

2016 ◽  
Vol 18 (12) ◽  
pp. 8428-8436 ◽  
Author(s):  
M. Fortino ◽  
T. Marino ◽  
N. Russo ◽  
E. Sicilia

In this paper, we report a theoretical investigation of the reduction reaction mechanism of Me3NO using molybdenum containing systems that are functional and structural analogues of trimethylamine N-oxide reductase mononuclear molybdenum enzyme.

2017 ◽  
Vol 19 (45) ◽  
pp. 30464-30472 ◽  
Author(s):  
Tao Yang ◽  
Jian Liu ◽  
Yang Yu ◽  
Yueh-Lin Lee ◽  
Harry Finklea ◽  
...  

In the present study, the oxygen reduction reaction mechanism is investigated using numerical methods on a dense thin (La1−xSrx)yMnO3±δ film deposited on a YSZ substrate.


2017 ◽  
Vol 142 ◽  
pp. 1319-1326 ◽  
Author(s):  
Yiyi She ◽  
Jinfan Chen ◽  
Chengxu Zhang ◽  
Zhouguang Lu ◽  
Meng Ni ◽  
...  

2021 ◽  
Vol 45 (1) ◽  
pp. 235-242
Author(s):  
Tony Cousin ◽  
Gregory Chatel ◽  
Bruno Andrioletti ◽  
Micheline Draye

The identification of intermediates and by-products issuing from the oxidative cleavage of cycloolefins allows proposing of a reaction mechanism.


2017 ◽  
Vol 46 (28) ◽  
pp. 9030-9035 ◽  
Author(s):  
Tiziana Marino ◽  
Fortuna Ponte ◽  
Gloria Mazzone ◽  
Emilia Sicilia ◽  
Marirosa Toscano ◽  
...  

The reaction mechanism for the synthesis of cyclic carbonates from carbon dioxide and epoxides catalyzed by a zinc pyrrolidine complex has been elucidated using the density functional level of theory.


2008 ◽  
Vol 14 (14) ◽  
pp. 4287-4292 ◽  
Author(s):  
Rong-Zhen Liao ◽  
Jian-Guo Yu ◽  
Frank M. Raushel ◽  
Fahmi Himo

Talanta ◽  
2019 ◽  
Vol 205 ◽  
pp. 120081 ◽  
Author(s):  
Aleksandra N. Koreshkova ◽  
Vipul Gupta ◽  
Anton Peristyy ◽  
Pavel N. Nesterenko ◽  
Thomas Rodemann ◽  
...  

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