Naslov
Sugar Pucker Modulates the Cross-Correlated Relaxation Rates across the Glycosidic Bond in DNA

Autori
Sychrovsky, Vladimir ; Mueller, Norbert ; Schneider, Bohdan ; Smrečki, Vilko ; Špirko, Vladimir ; Šponer, Jiri ; Trantirek, Lukaš

Izvornik
Journal of the American Chemical Society (0002-7863) 127 (2005), 42; 14663-14667

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
DNA; NMR; CSA; cross-correlated relaxation; glycosidic bond; sugar pucker

Sažetak
The dependence of N1/9 and C1' chemical shielding (CS) tensors on the glycosidic bond orientation (chi) and sugar pucker (P) in the DNA nucleosides 2'-deoxyadenosine, 2'-deoxyguanosine, 2'-deoxycytidine, and 2'-deoxythymidine was studied using the calculation methods of quantum chemistry. The results indicate that these CS-tensors exhibit a significant degree of conformational dependence on chi and P structural parameters. The presented data test underlying assumptions of currently established methods for interpretation of cross-correlated relaxation rates between the N1/9 chemical shielding tensor and C1'-H1' dipole-dipole (Ravindranathan et al. J. Biomol. NMR 2003, 27, 365-75. Duchardt et al. J. Am. Chem. Soc. 2004, 126, 1962-70) and highlight possible limitations of these methods when applied to DNA.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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