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Guanine–aspartic acid interactions probed with IR–UV resonance Spectroscopy
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SYSNO ASEP 0346457 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Guanine–aspartic acid interactions probed with IR–UV resonance Spectroscopy Author(s) Crews, B. O. (US)
Abo-Riziq, A. (US)
Pluháčková, Kristýna (UOCHB-X)
Thompson, P. (US)
Hill, G. (US)
Hobza, Pavel (UOCHB-X) RID, ORCID
de Vries, M. S. (US)Number of authors 7 Source Title Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 12, č. 14 (2010), s. 3597-3605Number of pages 9 s. Language eng - English Country GB - United Kingdom Keywords double resonance spectroscopy ; correlated ab initio calculations ; guanine-aspartic acid complexes Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) IAA400550510 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000275938200030 DOI 10.1039/b925340h Annotation Double resonance spectroscopy of clusters of guanine with aspartic acid reveals geometries similar to patterns exhibited in DNA base pairs. In the spectral region of 32 800 cm-1 to 35 500 cm-1 we observe five isomers of guanine–aspartic acid clusters and assign their structures based on IR–UV hole-burning spectra and wave function theory calculations at the MP2/cc-pVDZ and MP2/cc-pVTZ levels. Three of the isomers are similar, assigned to structures containing three hydrogen bonds and 9-enolguanine. We assign the fourth isomer to a structure containing a 9-keto tautomer of guanine and forming a triply bonded structure similar to a base pairing interaction. The fifth isomer dissociates with proton transfer upon excitation or ionization. This is the first set of experiments and high-level ab initio calculations of the isolated, microscopic interactions of an amino acid and a nucleobase, the building blocks of nucleic acids and proteins. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2011
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