Antioxidative Reaction of Carotenes against Peroxidation of Fatty Acids Initiated by Nitrogen Dioxide: A Theoretical Study

2015 ◽  
Vol 119 (30) ◽  
pp. 9640-9650 ◽  
Author(s):  
Shau-Jiun Chen ◽  
Li-Yen Huang ◽  
Ching-Han Hu
Keyword(s):  
Fatty Acids ◽  
Nitrogen Dioxide ◽  
Theoretical Study

Quantum mechanically calculated NIR spectra of fatty acids

NIR news ◽  
2017 ◽  
Vol 28 (8) ◽  
pp. 11-16 ◽  
Author(s):  
Justyna Grabska
Keyword(s):  
Fatty Acids ◽  
Near Infrared ◽  
Unsaturated Fatty Acids ◽  
Theoretical Study ◽  
Calculated Data ◽  
Nir Spectroscopy ◽  
Theoretical Modelling ◽  
Aliphatic Chain ◽  
Computing Power ◽  
Technical Article

The advances in theory as well as steady development of the computing power have made quantum mechanical simulation of NIR spectra feasible. Recently, we have demonstrated the ability to accurately reproduce in theory the NIR spectra of several complex biomolecules, including fatty acids. In the present technical article, some of these achievements are overviewed. Examples of theoretical modelling of NIR spectra of short- (aliphatic chain up to four carbon atoms) and medium-chain (aliphatic chain counting six carbon atoms) fatty acids are presented and discussed. The calculated data are used directly for explaining the experimental NIR spectra of these systems. Spectral features distinctive to saturated vs. unsaturated fatty acids are essential in various types of samples typically treated by NIR spectroscopy; i.e. food, tissue, biomaterial, etc. Therefore, the theoretical study offers considerable support for basic and applied NIRS. An example of possible practical application of the results of theoretical study for biochemical studies is provided. The topic discussed here has been presented during the 18th International Conference on Near Infrared Spectroscopy (ICNIRS-2017) in Copenhagen, June 2017.

Effect of acute nitrogen dioxide exposure on the composition of fatty acids in lung and liver phospholipids

1980 ◽  
Vol 6 (3) ◽  
pp. 149-155 ◽  
Author(s):  
Kobayashi Takahiro ◽  
Noguchi Tadashi ◽  
Kikuno Masataka ◽  
Kubota Kentaro
Keyword(s):  
Fatty Acids ◽  
Nitrogen Dioxide

Theoretical Study on Adiabatic Electron Affinity of Fatty Acids

2021 ◽  
Author(s):  
Yaxin Yang ◽  
Wenrui Zheng ◽  
Hongyun Xie ◽  
Lufei Ren ◽  
Xiaofei Xu ◽  
...  
Keyword(s):  
Fatty Acids ◽  
Secondary Metabolites ◽  
Electron Affinity ◽  
Theoretical Study ◽  
Vital Role ◽  
Energy Sources ◽  
Signal Molecules ◽  
Human Metabolism ◽  
Adiabatic Electron Affinity

As nutrients, secondary metabolites, essential signal molecules and energy sources, fatty acids play a vital role in biomedicine, pharmacokinetics and human metabolism. The reduction of fatty acids is one of...

Theoretical Study on Reaction Mechanism of the Ketenylidene Radical with Nitrogen Dioxide

2005 ◽  
Vol 109 (29) ◽  
pp. 6503-6508 ◽  
Author(s):  
Jia-xu Zhang ◽  
Jing-yao Liu ◽  
Ze-sheng Li ◽  
Chia-chung Sun
Keyword(s):  
Reaction Mechanism ◽  
Nitrogen Dioxide ◽  
Theoretical Study

Theoretical study of the reaction of ketenyl and nitrogen dioxide radicals (HCCO+NO2)

2005 ◽  
Vol 416 (4-6) ◽  
pp. 199-205 ◽  
Author(s):  
Mai Thu Hien ◽  
Thanh Lam Nguyen ◽  
Shaun A. Carl ◽  
Minh Tho Nguyen
Keyword(s):  
Nitrogen Dioxide ◽  
Theoretical Study
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