Theoretical study on the factors controlling the stability of the borate complexes of ribose, arabinose, lyxose, and xylose

Chemistry - A European Journal

Volumn 14, Issue 32, 2008, Pages 9990-9998

  Šponer, Judit E ^a   Sumpter, Bobby G ^b   Leszczynski, Jerzy ^c   Šponer, Jiří ^a   Fuentes Cabrera, Miguel ^b  

^a INSTITUTE OF BIOPHYSICS   (Czech Republic)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c JACKSON STATE UNIVERSITY   (United States)

Author keywords

Borates; Carbohydrates; Density functional calculations; Genetic material; RNA

Indexed keywords

ARABINOSE; BORIC ACID; LYXOSE; PENTOSE; RIBOSE; XYLOSE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; MACROMOLECULE;

ARABINOSE; BORATES; COMPUTER SIMULATION; MACROMOLECULAR SUBSTANCES; MOLECULAR STRUCTURE; PENTOSES; RIBOSE; XYLOSE;

EID: 55449087476     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200800961     Document Type: Article

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27. In Table 1 we have listed the second order stabilization energies for one of the two rings only. For symmetrical structures (1-4) the corresponding data are almost identical for both rings. In larger complexes (models 5-6), we have added substituents only to one of the rings. This, however, affected the energetics of the main donor-acceptor orbital interactions on the nonsubstituted ring by less than 8% relative to its symmetrical counterpart. All these stabilization energies are negative values; in the text and Table 1 we give them in absolute values.
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