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Combined use of Overhauser spectroscopy and NMR diffusion experiments for mapping the hydration structure of nucleosides: structure and dynamics of uridine in water

✍ Scribed by Hadj B. Seba; Pierre Thureau; Bernard Ancian; André Thévand


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
354 KB
Volume
44
Category
Article
ISSN
0749-1581

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✦ Synopsis


Abstract

Complementary results from ^13^C intermolecular nuclear Overhauser effects (NOE), ^1^H^13^C heteronuclear Overhauser spectroscopy (HOSEY) and ^1^H‐NMR diffusion measurements were used for probing the structure of the first solvation shell of uridine in water. It is demonstrated that a cyclic dihydrate is formed. The two water molecules produce two hydrogen bonds with the two oxygen atoms from the pyrimidine ring and accept only one hydrogen bond from the amide proton. The dihydrate has only a short lifetime as compared with the rotational correlation time of the free nucleoside. The chemical exchange constant of the amide proton with water is then estimated by diffusion experiments. The results are consistent with previous data obtained for uracil in water and provide interesting information about water accessibility in nucleic acid bases. Copyright © 2006 John Wiley & Sons, Ltd.


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## Abstract It is demonstrated that in a case where neither the proton nor the natural‐abundance ^13^C‐satellite spectra of a partially oriented molecule carry enough structural information, one can determine the entire molecular geometry by the combined use of several liquid crystals as solvents.