Počet záznamů: 1  

Resonant Infrared Multiple Photon Dissociation Spectroscopy of Anionic Nucleotide Monophosphate Clusters

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    SYSNO ASEP0446133
    Druh ASEPJ - Článek v odborném periodiku
    Zařazení RIVJ - Článek v odborném periodiku
    Poddruh JČlánek ve WOS
    NázevResonant Infrared Multiple Photon Dissociation Spectroscopy of Anionic Nucleotide Monophosphate Clusters
    Tvůrce(i) Ligare, M. R. (US)
    Rijs, A. M. (NL)
    Berden, G. (NL)
    Kabeláč, M. (CZ)
    Nachtigallová, Dana (UOCHB-X) RID, ORCID
    Oomens, J. (NL)
    de Vries, M. S. (US)
    Celkový počet autorů7
    Zdroj.dok.Journal of Physical Chemistry B. - : AMER CHEMICAL SOC - ISSN 1520-6106
    Roč. 119, č. 25 (2015), s. 7894-7901
    Poč.str.8 s.
    Jazyk dok.eng - angličtina
    Země vyd.US - Spojené státy americké
    Klíč. slovaDNA polymerase beta ; gas-phase conformations ; excited-state dynamics
    Vědní obor RIVCF - Fyzikální chemie a teoretická chemie
    CEPGAP208/12/1318 GA ČR - Grantová agentura ČR
    Institucionální podporaUOCHB-X - RVO:61388963
    UT WOS000357139800012
    EID SCOPUS84933055310
    AnotaceWe report mid-infrared spectra and potential energy surfaces of four anionic, 2'-deoxynucleotide-5'-monophosphates (dNMPs) and the ionic DNA pairs [dGMP-dCMP-H](1-), [dAMP-dTMP-H](1-) with a total charge of the complex equal to -1. We recorded IR action Spectra by resonant IR multiple-photon dissociation (IRMPD) using the FELIX free electron laser. The potential energy surface study employed an on-the-fly molecular dynamics quenching method (MD/Q), using a semiempirical AM1 method, followed by an optimization of the most stable structures using density functional theory. By employing infrared multiple-photon dissociation (IRMPD) spectroscopy in combination with high-level computational methods, we aim at a better understanding of the hydrogen bonding competition between the phosphate, moieties and the nucleobases. We find that, unlike in multimer double stranded DNA structures, the hydrogen bonds in these isolated nucleotide pairs are predominantly formed between the phosphate groups. This intermolecular interaction appears to exceed the stabilization energy resulting from base pairing and directs the overall cluster structure and alignment.
    PracovištěÚstav organické chemie a biochemie
    KontaktMarie Odehnalová,marie.odehnalova@uochb.cas.cz Tel.: 220 183 418 ; Viktorie Chládková, viktorie.chladkova@uochb.cas.cz, Tel.: 232 002 434
    Rok sběru2016
Počet záznamů: 1