J 2004

Experiments for Correlating Quaternary Carbons in RNA Bases

FIALA, Radovan, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ

Basic information

Original name

Experiments for Correlating Quaternary Carbons in RNA Bases

Name in Czech

Experimenty pro korelaci kvarterních atomů uhlíku v bazích RNA

Authors

FIALA, Radovan (203 Czech Republic), Markéta MUNZAROVÁ (203 Czech Republic) and Vladimír SKLENÁŘ (203 Czech Republic, guarantor)

Edition

Journal of Biomolecular NMR, Dordrecht, Kluwer/Escom, 2004, 0925-2738

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10600 1.6 Biological sciences

Country of publisher

Czech Republic

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 2.918

RIV identification code

RIV/00216224:14310/04:00010703

Organization unit

Faculty of Science

UT WoS

000222502200002

Keywords in English

ab initio; correlation; DFT; NMR; quternary carbon; RNA; spin-spin coupling
Změněno: 17/1/2005 12:19, doc. RNDr. Radovan Fiala, CSc.

Abstract

V originále

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.

In Czech

Článek uvádí nové heteronukleární 2D NMR experimenty pro korelaci všech kvarterních uhlíků v bázích RNA s jedním nebo více jádry vodíku. Experimenty jsou založeny na jedno, dvou nebo třívazebných interakcích a několikanásobných přenosech magnetizace. Štěpení signálu vlivem jednovazebné interakce uhlík-uhlík je odstraněno pomozí vývoje v konstantním čase nebo selektivní refokusací. Citlivost navrhovaných experimentů dovoluje naměřit spektra 0.5 mM 25-meru RNA za čtyři hodiny nebo méně. Experimenty jsou aplikovatelné i na vzorky v orietovaných fázích.

Links

LN00A016, research and development project
Name: BIOMOLEKULÁRNÍ CENTRUM
Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Center