Structure Determination of an AgI-Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with 1H/15N/109Ag NMR Spectroscopy

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F16%3A00303292" target="_blank" >RIV/68407700:21230/16:00303292 - isvavai.cz</a>

Výsledek na webu

<a href="http://onlinelibrary.wiley.com/store/10.1002/chem.201603048/asset/supinfo/chem201603048-sup-0001-misc_information.pdf?v=1&s=82292377bf3dd1fc1b59f4cb8aa9f5c3d0b3acae" target="_blank" >http://onlinelibrary.wiley.com/store/10.1002/chem.201603048/asset/supinfo/chem201603048-sup-0001-misc_information.pdf?v=1&s=82292377bf3dd1fc1b59f4cb8aa9f5c3d0b3acae</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/chem.201603048" target="_blank" >10.1002/chem.201603048</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Structure Determination of an AgI-Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with 1H/15N/109Ag NMR Spectroscopy

Popis výsledku v původním jazyce

The structure of an AgI-mediated cytosine–cytosine base pair, C–AgI–C, was determined with NMR spectroscopy in solution. The observation of 1-bond 15N-109Ag J-coupling (1J(15N,109Ag): 83 and 84 Hz) recorded within the C–AgI–C base pair evidenced the N3–AgI–N3 linkage in C–AgI–C. The triplet resonances of the N4 atoms in C–AgI–C demonstrated that each exocyclic N4 atom exists as an amino group (-NH2), and any isomerization and/or N4–AgI bonding can be excluded. The 3D structure of AgI–DNA complex determined with NOEs was classified as a B-form conformation with a notable propeller twist of C–AgI–C (-18.3±3.0°). The 109Ag NMR chemical shift of C-AgI-C was recorded for cytidine/AgI complex (δ(109Ag): 442 ppm) to completed full NMR characterization of the metal linkage. The structural interpretation of NMR data with quantum mechanical calculations corroborated the structure of the C–AgI–C base pair.

Název v anglickém jazyce

Structure Determination of an AgI-Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with 1H/15N/109Ag NMR Spectroscopy

Popis výsledku anglicky

The structure of an AgI-mediated cytosine–cytosine base pair, C–AgI–C, was determined with NMR spectroscopy in solution. The observation of 1-bond 15N-109Ag J-coupling (1J(15N,109Ag): 83 and 84 Hz) recorded within the C–AgI–C base pair evidenced the N3–AgI–N3 linkage in C–AgI–C. The triplet resonances of the N4 atoms in C–AgI–C demonstrated that each exocyclic N4 atom exists as an amino group (-NH2), and any isomerization and/or N4–AgI bonding can be excluded. The 3D structure of AgI–DNA complex determined with NOEs was classified as a B-form conformation with a notable propeller twist of C–AgI–C (-18.3±3.0°). The 109Ag NMR chemical shift of C-AgI-C was recorded for cytidine/AgI complex (δ(109Ag): 442 ppm) to completed full NMR characterization of the metal linkage. The structural interpretation of NMR data with quantum mechanical calculations corroborated the structure of the C–AgI–C base pair.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

JA - Elektronika a optoelektronika, elektrotechnika

OECD FORD obor

—

Projekt

—

Návaznosti

V - Vyzkumna aktivita podporovana z jinych verejnych zdroju

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Chemistry - A European Journal

ISSN

0947-6539

e-ISSN

—

Svazek periodika

22

Číslo periodika v rámci svazku

37

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

4

Strana od-do

13028-13031

Kód UT WoS článku

000383763200010

EID výsledku v databázi Scopus

2-s2.0-84985031142