Informační systém MU
MALIŇÁKOVÁ, Kateřina, Lucie NOVOSADOVÁ, Matej PIPÍŠKA and Radek MAREK. Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings? ChemPhysChem. Weinheim: Wiley-VCH, 2011, vol. 12, No 2, p. 379-388. ISSN 1439-4235. doi:10.1002/cphc.201000657.
Other formats:   BibTeX LaTeX RIS
Basic information
Original name Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings?
Name in Czech Tenzory chemického posunu u izomerů adeninu: Vztah k aromaticitě purinových kruhů?
Authors MALIŇÁKOVÁ, Kateřina (203 Czech Republic, belonging to the institution), Lucie NOVOSADOVÁ (203 Czech Republic, belonging to the institution), Matej PIPÍŠKA (703 Slovakia, belonging to the institution) and Radek MAREK (203 Czech Republic, guarantor, belonging to the institution).
Edition ChemPhysChem, Weinheim, Wiley-VCH, 2011, 1439-4235.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10403 Physical chemistry
Country of publisher Germany
Confidentiality degree is not subject to a state or trade secret
WWW DOI: 10.1002/cphc.201000657
Impact factor Impact factor: 3.412
RIV identification code RIV/00216224:14740/11:00051482
Organization unit Central European Institute of Technology
Doi http://dx.doi.org/10.1002/cphc.201000657
UT WoS 000287792300021
Keywords in English solid-state NMR; density-functional theory; X-ray diffraction; nucleus-independent chemical shift; supramolecular cluster
Tags ok, rivok
Tags International impact, Reviewed
Changed by Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 19. 2. 2012 12:00.
Abstract
13C and 15N chemical shift tensors (CST) are measured, calculated, and compared for three N-benzyladenine isomers with an attempt to characterize differences in electron distribution in the purine ring related to the position of the substituent. Furthermore, the aromaticity of the purine rings is evaluated on the basis of nucleus-independent chemical shifts (NICS), and variations among the isomers are discussed. Both parameters indicate significant differences between the electronic properties of the N3-substituted compound and the N7/N9 pair of structures which can be viewed more generally as the reason for the different stabilities of the individual tautomers.
Links
LC06030, research and development projectName: Biomolekulární centrum
Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular centre
MSM0021622413, plan (intention)Name: Proteiny v metabolismu a při interakci organismů s prostředím
Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment
Displayed: 29. 6. 2022 19:45