Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
1
pubmed:dateCreated
1994-4-18
pubmed:abstractText
Normal coordinate analyses and vibrational assignments are presented for the dimethyl phosphate anion [(CH3O)2PO2-] and its deuteriomethyl [(CD3O)2PO2-] and carbon-13 [(13CH3O)2PO2-] derivatives in the gauche-gauche conformation. The dimethyl phosphate anion, which is the simplest model for the nucleic acid phosphodiester moiety, exhibits many of the spectral complexities of DNA and RNA and has previously resisted a complete and consistent vibrational analysis. In the present study we make use of new experimental data on the dimethyl phosphate isotopomers, including Raman depolarization measurements, to develop a consistent valence force field for normal modes of the C--O--P--O--C phosphodiester network and its hydrogenic substituents, as well as for stretching and bending modes of the O--P--O network of the anionic phosphodioxy group (PO2-). The force field established for dimethyl phosphate incorporates one significant nonbonded force constant, introduced from ab initio calculations, to account for interaction between the two ester C--O bonds. This study resolves previous problematic assignments for conformation-sensitive symmetric (in-phase) and asymmetric (out-of-phase) skeletal stretching modes of the ester linkages and demonstrates substantial anharmonicity in the hydrogen-stretching vibrations of the methyl substituents. New assignments are proposed for Raman bands of the phosphodioxy group, which may serve as potential indicators of structure and interaction of the DNA phosphates.
pubmed:grant
pubmed:commentsCorrections
http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-1164547, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-1445916, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-3365372, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-3954991, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-4027338, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-4502943, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-4649726, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-4682894, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-4941645, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-5094578, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-6186993, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-6462921, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-6704487, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-7301594, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-7330048, http://linkedlifedata.com/resource/pubmed/commentcorrection/8130340-8298021
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
0006-3495
pubmed:author
pubmed:issnType
Print
pubmed:volume
66
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
225-35
pubmed:dateRevised
2009-11-18
pubmed:meshHeading
pubmed:year
1994
pubmed:articleTitle
Vibrational analysis of nucleic acids. I. The phosphodiester group in dimethyl phosphate model compounds: (CH3O)2PO2-, (CD3O)2PO2-, and (13CH3O)2PO2-.
pubmed:affiliation
Division of Cell Biology and Biophysics, School of Biological Sciences, University of Missouri-Kansas City 64110-2499.
pubmed:publicationType
Journal Article, Comparative Study, Research Support, U.S. Gov't, P.H.S., Research Support, U.S. Gov't, Non-P.H.S., Research Support, Non-U.S. Gov't