About: Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	M-DNA is a type of metalated DNA that forms at high pH and in the presence of Zn, Ni, and Co, with the metals placed in between each base pair, as in G-Zn-C. Experiments have found that M-DNA could be a promising candidate for a variety of nanotechnological applications, as it is speculated that the metal d-states enhance the conductivity, but controversy still clouds these findings. In this paper, we carry out a comprehensive ab initio study of eight G-Zn-C models in the gas phase to help discern the structure and electronic properties of Zn-DNA. M-DNA is a type of metalated DNA that forms at high pH and in the presence of Zn, Ni, and Co, with the metals placed in between each base pair, as in G-Zn-C. Experiments have found that M-DNA could be a promising candidate for a variety of nanotechnological applications, as it is speculated that the metal d-states enhance the conductivity, but controversy still clouds these findings. In this paper, we carry out a comprehensive ab initio study of eight G-Zn-C models in the gas phase to help discern the structure and electronic properties of Zn-DNA. (en) MDNa je typ metalované DNA, která vzniká při vysokém pH a v přítomnosti Zn, Ni a Co, s kovy umístěnými mezi každý pár bází, jako v G-Zn-C. Experimenty ukazují, že M-DNA může být slibným kandidátem pro velké množství nanotechnologických aplikací. Uvažuje se, že d-stavy kovů zvyšují kondiktivitu. V této práci předkládáme komplexní ab initio studii osmi G-Zn-C modelů v plynné fázi s účelem rozpoznat strukturu a elektronické vlastnosti Zn-DNA. (cs)
Title	Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA (en) Teoretická studie struktury, stability a elektronických vlastností guanin-Zn-cytozin páru v M-DNA (cs)
skos:prefLabel	Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA (en) Teoretická studie struktury, stability a elektronických vlastností guanin-Zn-cytozin páru v M-DNA (cs)
skos:notation	RIV/68081707:_____/07:00080773!RIV07-AV0-68081707
http://linked.open.../vavai/riv/strany	870;879
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(1QS500040581), P(GA203/05/0009), P(GA203/05/0388), P(LC512), Z(AV0Z40550506), Z(AV0Z50040507)
http://linked.open...iv/cisloPeriodika	4
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Šponer, Jiří Šponer, Judit E.
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	Biofyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	455001
http://linked.open...ai/riv/idVysledku	RIV/68081707:_____/07:00080773
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	metalated DNA; ab initio; electronic properties of DNA (en)
http://linked.open.../riv/klicoveSlovo	ab initio electronic properties of DNA metalated DNA
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[C31F0B131B69]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry B
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Metallodrugs, design and mechansim of action 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 Conformational dynamics of nucleic acids
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	111
http://linked.open...iv/tvurceVysledku	Šponer, Jiří Fuentes-Cabrera, M. Sumpter, B. G. Šponer, Judit Erika Petit, L. Wells, J. C.
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství Biophysics of dynamic structures and functions of biological systems
issn	1520-6106
number of pages	10 (xsd:int)

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