About: Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation

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About: Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The theoretical study shows that direct coordination of Mg2+ metal cation to the phosphate group of nucleic acids is accompanied by the 2-9.5 ppm decrease of 31P NMR shift, 0-20 ppm increase of 31P chemical shielding anisotropy, and 0.2-1.8 Hz decrease of 2J(P,C5´) scalar coupling. The study employed significantly populated coordination patterns of the metal deterined with bioinformatic structural analysis of crystallographic data. mobility of the metal cation has dramatic impact on the NMR parameters. The theoretical study shows that direct coordination of Mg2+ metal cation to the phosphate group of nucleic acids is accompanied by the 2-9.5 ppm decrease of 31P NMR shift, 0-20 ppm increase of 31P chemical shielding anisotropy, and 0.2-1.8 Hz decrease of 2J(P,C5´) scalar coupling. The study employed significantly populated coordination patterns of the metal deterined with bioinformatic structural analysis of crystallographic data. mobility of the metal cation has dramatic impact on the NMR parameters. (en)
Title	Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation (en)
skos:prefLabel	Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation (en)
skos:notation	RIV/86652036:_____/11:00359107!RIV12-AV0-86652036
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GAP205/10/0228), P(IAA400550701), Z(AV0Z40550506), Z(AV0Z50520701)
http://linked.open...iv/cisloPeriodika	11
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Schneider, Bohdan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Biotechnologický ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	189013
http://linked.open...ai/riv/idVysledku	RIV/86652036:_____/11:00359107
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	nucleic acids; phosphate; NMR (en)
http://linked.open.../riv/klicoveSlovo	phosphate NMR nucleic acids
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[A742707EA9C0]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry A
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and Dynaics of Bioinorganic Complexes Struktura a dynamika v komplexech solvatovaných biomolekul
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	115
http://linked.open...iv/tvurceVysledku	Benda, Ladislav Schneider, Bohdan Sychrovský, Vladimír
http://linked.open...ain/vavai/riv/wos	000288400900037
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství Establishing of the Biotechnology Institute ASCR
issn	1089-5639
number of pages	11 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp1114114

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