title: 13C-detected NMR experiments for measuring chemical shifts and coupling constants in nucleic acid bases.
abstract: The paper presents a set of two-dimensional experiments that utilize direct (13)C detection to provide proton-carbon, carbon-carbon and carbon-nitrogen correlations in the bases of nucleic acids. The set includes a (13)C-detected proton-carbon correlation experiment for the measurement of (13)C-(13)C couplings, the CaCb experiment for correlating two quaternary carbons, the HCaCb experiment for the (13)C-(13)C correlations in cases where one of the carbons has a proton attached, the HCC-TOCSY experiment for correlating a proton with a network of coupled carbons, and a (13)C-detected (13)C-(15)N correlation experiment for detecting the nitrogen nuclei that cannot be detected via protons. The IPAP procedure is used for extracting the carbon-carbon couplings and/or carbon decoupling in the direct dimension, while the S(3)E procedure is preferred in the indirect dimension of the carbon-nitrogen experiment to obtain the value of the coupling constant. The experiments supply accurate values of (13)C and (15)N chemical shifts and carbon-carbon and carbon-nitrogen coupling constants. These values can help to reveal structural features of nucleic acids either directly or via induced changes when the sample is dissolved in oriented media.
authors: National Centre for Biomolecular Research, Masaryk University, Kotlárská 2, Brno 611 37, Czech Republic. fiala@ncbr.chemi.muni.cz
authors: Radovan
authors: R
authors: Fiala
authors: Vladimír
authors: V
authors: Sklenár
mesh_terms: D002247:Carbon Isotopes; D009587:Nitrogen Isotopes; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D009696:Nucleic Acids / Q000737:chemistry*; D011522:Protons; D011687:Purines / Q000737:chemistry*; D011743:Pyrimidines / Q000737:chemistry*
chemical_list: D002247:Carbon Isotopes; D009587:Nitrogen Isotopes; D009696:Nucleic Acids; D011522:Protons; D011687:Purines; D011743:Pyrimidines
references: J Magn Reson. 2003 Jun;162(2):385-95
references: 12810024
references: J Biomol NMR. 2004 Jan;28(1):69-79
references: 14739640
references: J Magn Reson. 2005 Feb;172(2):324-8
references: 15649759
references: J Biomol NMR. 1997 Dec;10(4):337-50
references: 20859781
references: J Magn Reson. 2001 Aug;151(2):332-8
references: 11531356
references: Chembiochem. 2003 Oct 6;4(10):936-62
references: 14523911
references: J Biomol NMR. 2005 Mar;31(3):231-41
references: 15803396
references: J Am Chem Soc. 2001 Jan 31;123(4):658-64
references: 11456577
references: J Biomol NMR. 2001 Oct;21(2):153-60
references: 11727978
references: J Am Chem Soc. 2006 Nov 29;128(47):15042-3
references: 17117827
references: Angew Chem Int Ed Engl. 2005 May 13;44(20):3089-92
references: 15832397
references: J Am Chem Soc. 2006 Mar 29;128(12):3918-9
references: 16551093
references: J Biomol NMR. 2004 Nov;30(3):287-301
references: 15756460
references: J Biomol NMR. 2004 Aug;29(4):477-90
references: 15243179
references: Nucleic Acids Res. 2002 Apr 1;30(7):1639-45
references: 11917025
references: J Biomol NMR. 1998 Oct;12(3):435-41
references: 9835050
references: Chembiochem. 2001 Apr 2;2(4):247-51
references: 11828451
references: J Biomol NMR. 2001 Sep;21(1):11-29
references: 11693565
references: Methods Enzymol. 2001;338:320-41
references: 11460556
references: RNA. 2003 May;9(5):533-42
references: 12702812
references: J Am Chem Soc. 2003 Mar 5;125(9):2382-3
references: 12603112
references: J Biomol NMR. 1997 Jul;10(1):89-94
references: 9453800
references: J Magn Reson. 2006 Jan;178(1):56-64
references: 16199190
references: J Biomol NMR. 1995 Sep;6(2):135-40
references: 8589602
references: J Magn Reson. 2003 Sep;164(1):187-95
references: 12932473
references: J Magn Reson. 1998 Apr;131(2):373-8
references: 9571116