About: Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part. 4. Uracil and thymine

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About: Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part. 4. Uracil and thymine Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Keto and enol tautomers of thymine and uracil were studied theoretically in the gas phase, in a microhydrated environment and in a water environment. Solvation effects were described using the thermodynamic integration method, Conductor-like polarizable continuum model (C-PCM) and hybrid model (C-PCM + explicit water molecules). A short experimental detection of tautomers by means of steady-state fluorescence was also included. Keto and enol tautomers of thymine and uracil were studied theoretically in the gas phase, in a microhydrated environment and in a water environment. Solvation effects were described using the thermodynamic integration method, Conductor-like polarizable continuum model (C-PCM) and hybrid model (C-PCM + explicit water molecules). A short experimental detection of tautomers by means of steady-state fluorescence was also included. (en) Keto a enol tautomery thyminu a uracilu byly teoreticky studovány v plynné fázi, v mikrohydratovaném prostředí a ve vodném roztoku. Solvatace byla popsána pomocí metod: termodynamická integrace, Conductor-like polarizable continuum model (C-PCM) a hybridního modelu (metoda C-PCM + explicitní molekuly vody). Byla provedena experimentální detekce tautomerů pomocí steady-state fluorescence. (cs)
Title	Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part. 4. Uracil and thymine Báze nukleových kyselin a jejich tautomery v plynné fázi, mikrohydratovaném prostředí a ve vodném roztoku - korelovaná ab initio studie. Část čtvrtá. Uracil a thymin (cs) Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part. 4. Uracil and thymine (en)
skos:prefLabel	Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part. 4. Uracil and thymine Báze nukleových kyselin a jejich tautomery v plynné fázi, mikrohydratovaném prostředí a ve vodném roztoku - korelovaná ab initio studie. Část čtvrtá. Uracil a thymin (cs) Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part. 4. Uracil and thymine (en)
skos:notation	RIV/61388963:_____/05:00021230!RIV06-MSM-61388963
http://linked.open.../vavai/riv/strany	2006;2017
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/05/0009), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Hanus, Michal Rejnek, Jaroslav Hobza, Pavel Kabeláč, Martin
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	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	516457
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/05:00021230
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	nucleic acid bases; tautomers; solvation (en)
http://linked.open.../riv/klicoveSlovo	nucleic acid bases solvation tautomers
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[3CB814DC5107]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Structure and dynamics of DNA nitrogeneous bases, base pairs, oligonucleotides and their complexes with water, ions and drugs
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	7
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Kabeláč, Martin Rejnek, Jaroslav Hanus, Michal Ryjáček, Filip
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1463-9076
number of pages	12 (xsd:int)

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