"ab initio; correlation; DFT; NMR; quternary carbon; RNA; spin-spin coupling"@en . . "[38D81E5F6FBB]" . . "Experiments for Correlating Quaternary Carbons in RNA Bases" . "563853" . . . "Experimenty pro korelaci kvartern\u00EDch atom\u016F uhl\u00EDku v baz\u00EDch RNA"@cs . . "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 G"@en . "CZ - \u010Cesk\u00E1 republika" . "Fiala, Radovan" . . "4" . . "Experiments for Correlating Quaternary Carbons in RNA Bases" . . "Munzarov\u00E1, Mark\u00E9ta" . "Experiments for Correlating Quaternary Carbons in RNA Bases"@en . "Experimenty pro korelaci kvartern\u00EDch atom\u016F uhl\u00EDku v baz\u00EDch RNA"@cs . "14"^^ . . . . "0925-2738" . . . "Journal of Biomolecular NMR" . "14310" . . . . "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 G" . "Sklen\u00E1\u0159, Vladim\u00EDr" . "29" . "477-490" . "Experiments for Correlating Quaternary Carbons in RNA Bases"@en . "\u010Cl\u00E1nek uv\u00E1d\u00ED nov\u00E9 heteronukle\u00E1rn\u00ED 2D NMR experimenty pro korelaci v\u0161ech kvartern\u00EDch uhl\u00EDk\u016F v b\u00E1z\u00EDch RNA s jedn\u00EDm nebo v\u00EDce j\u00E1dry vod\u00EDku. Experimenty jsou zalo\u017Eeny na jedno, dvou nebo t\u0159\u00EDvazebn\u00FDch interakc\u00EDch a n\u011Bkolikan\u00E1sobn\u00FDch p\u0159enosech magnetizace. \u0160t\u011Bpen\u00ED sign\u00E1lu vlivem jednovazebn\u00E9 interakce uhl\u00EDk-uhl\u00EDk je odstran\u011Bno pomoz\u00ED v\u00FDvoje v konstantn\u00EDm \u010Dase nebo selektivn\u00ED refokusac\u00ED. Citlivost navrhovan\u00FDch experiment\u016F dovoluje nam\u011B\u0159it spektra 0.5 mM 25-meru RNA za \u010Dty\u0159i hodiny nebo m\u00E9n\u011B. Experimenty jsou aplikovateln\u00E9 i na vzorky v orietovan\u00FDch f\u00E1z\u00EDch."@cs . "3"^^ . "3"^^ . . "RIV/00216224:14310/04:00010703" . . . "RIV/00216224:14310/04:00010703!RIV08-MSM-14310___" . . "P(LN00A016)" . .