Mechanistic Insight into Aerobic Alcohol Oxidation Using NOx–Nitroxide Catalysis Based on Catalyst Structure–Activity Relationships

2014 ◽  
Vol 79 (21) ◽  
pp. 10256-10268 ◽  
Author(s):  
Masatoshi Shibuya ◽  
Shota Nagasawa ◽  
Yuji Osada ◽  
Yoshiharu Iwabuchi
Keyword(s):  
Alcohol Oxidation ◽  
Catalyst Structure ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Mechanistic Insight ◽  
Insight Into

Molecular ruthenium water oxidation catalysts carrying non-innocent ligands: mechanistic insight through structure–activity relationships and quantum chemical calculations

2016 ◽  
Vol 6 (5) ◽  
pp. 1306-1319 ◽  
Author(s):  
Markus D. Kärkäs ◽  
Rong-Zhen Liao ◽  
Tanja M. Laine ◽  
Torbjörn Åkermark ◽  
Shams Ghanem ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Water Oxidation ◽  
Quantum Chemical ◽  
Oxidation Catalysis ◽  
Oxidation Catalysts ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Mechanistic Insight ◽  
Insight Into

Herein is highlighted how structure–activity relationships can be used to provide mechanistic insight into H2O oxidation catalysis.

Mechanistic Insight into Alcohol Oxidation by High-Valent Iron-Oxo Complexes of Heme and Nonheme Ligands

2005 ◽  
Vol 44 (27) ◽  
pp. 4235-4239 ◽  
Author(s):  
Na Young Oh ◽  
Yumi Suh ◽  
Mi Joo Park ◽  
Mi Sook Seo ◽  
Jinheung Kim ◽  
...  
Keyword(s):  
Alcohol Oxidation ◽  
Oxo Complexes ◽  
Mechanistic Insight ◽  
High Valent ◽  
Insight Into

Mechanistic insight into the aerobic oxidation of benzyl alcohol catalyzed by the CuII–TEMPO catalyst in alkaline water solution

RSC Advances ◽  
2015 ◽  
Vol 5 (102) ◽  
pp. 83976-83984 ◽  
Author(s):  
R. F. Duan ◽  
L. Cheng ◽  
Q. C. Zhang ◽  
L. S. Ma ◽  
H. Y. Ma ◽  
...  
Keyword(s):  
Benzyl Alcohol ◽  
Density Functional ◽  
Water Solution ◽  
Aerobic Oxidation ◽  
Density Functional Method ◽  
Alcohol Oxidation ◽  
Functional Method ◽  
Alkaline Water ◽  
Mechanistic Insight ◽  
Insight Into

The benzyl alcohol oxidation to benzaldehyde in the alkaline water solution catalyzed by CuII/L–TEMPO catalyst is investigated by density functional method. The favorable mechanisms and the role for the water ​have also been predicted.

First insight into structure-activity relationships of selective meprin β inhibitors

2017 ◽  
Vol 27 (11) ◽  
pp. 2428-2431 ◽  
Author(s):  
Daniel Ramsbeck ◽  
Antje Hamann ◽  
Dagmar Schlenzig ◽  
Stephan Schilling ◽  
Mirko Buchholz
Keyword(s):  
Structure Activity Relationships ◽  
Structure Activity ◽  
Insight Into
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