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@article{562940,
author = {Fiala, Radovan and Munzarová, Markéta and Sklenář, Vladimír},
article_location = {Dordrecht},
article_number = {4},
keywords = {ab initio; correlation; DFT; NMR; quternary carbon; RNA; spin-spin coupling},
language = {eng},
issn = {0925-2738},
journal = {Journal of Biomolecular NMR},
title = {Experiments for Correlating Quaternary Carbons in RNA Bases},
volume = {29},
year = {2004}
}
TY - JOUR
ID - 562940
AU - Fiala, Radovan - Munzarová, Markéta - Sklenář, Vladimír
PY - 2004
TI - Experiments for Correlating Quaternary Carbons in RNA Bases
JF - Journal of Biomolecular NMR
VL - 29
IS - 4
SP - 477-490
EP - 477-490
PB - Kluwer/Escom
SN - 09252738
KW - ab initio
KW - correlation
KW - DFT
KW - NMR
KW - quternary carbon
KW - RNA
KW - spin-spin coupling
N2 - The paper presents a set of triple-resonance two-dimensional experiments for correlating all quaternary carbons in RNA bases to one or more of the base protons. The experiments make use of either three-bond proton-carbon couplings and one selective INEPT step (the long-range selective HSQC experiment) to transfer the magnetization between a proton and the carbon of interest and back, or they rely on one- and/or two-bond heteronuclear (the H(CN)C and H(N)C experiments) or carbon-carbon couplings (the H(C)C experiment) and multiple INEPT transfer steps. The effect of the large one-bond carbon-carbon coupling in t1 is removed by a constant time evolution or by a selective refocusing. The performance of the proposed approach is demonstrated on a 0.5 mM 25-mer RNA. The results show that the experiments are applicable to samples containing agents for weak molecular alignment. The design of the correlation experiments has been supported by ab initio calculations of scalar spin-spin couplings for the AU and GC base pairs. The ab initio data reveal surprisingly high values of guanine 2JN1C5 and uracil 2JN3C5 couplings that are in a qualitative agreement with the experimental data. The sensitivity of the spin-spin couplings to base pairing as well as the agreement with the experiment depend strongly on the type of nuclei involved and the number of bonds separating them.
ER -
FIALA, Radovan, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ. Experiments for Correlating Quaternary Carbons in RNA Bases. \textit{Journal of Biomolecular NMR}. Dordrecht: Kluwer/Escom, roč.~29, č.~4, s.~477-490. ISSN~0925-2738. 2004.
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