Intrinsic Property of Flavin Mononucleotide Controls its Optical Spectra in Three Redox States

Self‐centered flavins: The actual profiles of optical spectra for flavin mononucleotide (FMN, see picture) were calculated using first‐principles methods with the inclusion of vibration progressions. An excellent agreement with the experimental spectra shows that while specific short‐range interacti...

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Bibliographic Details
Published in:Chemphyschem 2011-11, Vol.12 (16), p.2899-2902
Main Authors: Ai, Yue-jie, Tian, Guangjun, Liao, Rong-zhen, Zhang, Qiong, Fang, Wei-hai, Luo, Yi
Format: Article
Language:English
Subjects:
Analytical, structural and metabolic biochemistry
Biological and medical sciences
Crystallography, X-Ray
density functional calculations
Flavin Mononucleotide - chemistry
flavin mononucleotides
flavodoxins
Fundamental and applied biological sciences. Psychology
Hydrogen Bonding
Models, Theoretical
Molecular Structure
Nucleic acids
Nucleic bases, nucleotides
Optical Phenomena
Oxidation-Reduction
redox chemistry
Spectrum Analysis
vibrational resolved spectroscopy
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Summary:Self‐centered flavins: The actual profiles of optical spectra for flavin mononucleotide (FMN, see picture) were calculated using first‐principles methods with the inclusion of vibration progressions. An excellent agreement with the experimental spectra shows that while specific short‐range interactions are negligible in the determination of the optical spectra of FMN in three different redox states, the natural structures and intrinsic electronic excitations play an important role.
ISSN:1439-4235
1439-7641
1439-7641
DOI:10.1002/cphc.201100663