DocumentCode
2710727
Title
Analysis of terahertz absorptions of structural isomers of tyrosine using a molecular orbital simulation and mid-infrared absorptions
Author
Sakamoto, Tomoaki ; Tanabe, Tadao ; Ohashi, Takahiro ; Yamagata, Suguru ; Oyama, Yutaka ; Kawanishi, Toru ; Hiyama, Yukio
Author_Institution
Nat. Inst. of Health Sci., Tokyo, Japan
fYear
2010
fDate
5-10 Sept. 2010
Firstpage
1
Lastpage
2
Abstract
Differences in the terahertz spectral features and the assignment of terahertz absorptions and hydrogen bond networking of tyrosines were examined. The inter- and intra-molecular absorptions in a terahertz region were calculated by the structural optimization simulation “Gaussian 03” at B3LYP/6-31G (d) level using the mid-IR absorptions.
Keywords
hydrogen bonds; isomerism; macromolecules; molecular biophysics; orbital calculations; proteins; terahertz wave spectra; hydrogen bond networking; intermolecular absorption; intramolecular absorption; mid-infrared absorptions; molecular orbital simulation; structural isomers; structural optimization simulation; terahertz absorptions; terahertz spectral features; tyrosine; Absorption; Chemicals; Compounds; Optimization; Predictive models; Stability analysis; Vibrations;
fLanguage
English
Publisher
ieee
Conference_Titel
Infrared Millimeter and Terahertz Waves (IRMMW-THz), 2010 35th International Conference on
Conference_Location
Rome
Print_ISBN
978-1-4244-6655-9
Type
conf
DOI
10.1109/ICIMW.2010.5612477
Filename
5612477
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