The significant role of the intermolecular CHMIDLINE HORIZONTAL ELLIPSISO/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F15%3A00082182" target="_blank" >RIV/00216224:14740/15:00082182 - isvavai.cz</a>
Result on the web
<a href="http://www.tandfonline.com/doi/abs/10.1080/07391102.2014.968623#.VIB_SYUcXx1" target="_blank" >http://www.tandfonline.com/doi/abs/10.1080/07391102.2014.968623#.VIB_SYUcXx1</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1080/07391102.2014.968623" target="_blank" >10.1080/07391102.2014.968623</a>

Result language
angličtina
Original language name
The significant role of the intermolecular CHMIDLINE HORIZONTAL ELLIPSISO/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation
Original language description
This paper is a logical continuation of the theoretical survey of the CH...O/N specific contacts in the nucleobase pairs using a wide arsenal of the modern methods, which was initiated in our previous study [J. Biomol. Struct. & Dynam., 2014, 32, 993?1022]. It was established that 34 CH...O and 7 CH...N interactions, that were detected by quantum-chemical calculations in the 39 biologically important pairs involving modified nucleobases, completely satisfy all geometrical, vibrational, electron-topological, in particular Bader?s and two-molecule Koch and Popelier?s, Grunenberg?s compliance constants theory and natural bond orbital criteria indicating that they can be identified as true H-bonds. The geometrical criteria of the H-bond formation are fulfilled for all considered CH...O/N H-bonds without any exception. It was shown that the classical rule of the stretching vibration shifts does not work in the 95% cases of the CH...O/N H-bonds.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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