FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2100047922> ?p ?o ?g. }

• W2100047922 endingPage "6079" @default.
• W2100047922 startingPage "6064" @default.
• W2100047922 abstract "Abstract Conformational stability of G‐quartets found in telomeric DNA quadruplex structures requires the coordination of monovalent ions. Here, an extensive Hartree–Fock and density functional theory analysis of the energetically favored position of Li + , Na + , and K + ions is presented. The calculations show that at quartet–quartet distances observed in DNA quadruplex structures (3.3 Å), the Li + and Na + ions favor positions of 0.55 and 0.95 Å outside the plane of the G‐quartet, respectively. The larger K + ion prefers a central position between successive G‐quartets. The energy barrier separating the minima in the quartet‐ion‐quartet model are much smaller for the Li + and Na + ions compared with the K + ion; this suggests that K + ions will not move as freely through the central channel of the DNA quadruplex. Spin–spin coupling constants and isotropic chemical shifts in G‐quartets extracted from crystal structures of K + ‐ and Na + ‐coordinated DNA quadruplexes were calculated with B3LYP/6‐311G(d). The results show that the sizes of the trans ‐hydrogen‐bond couplings are influenced primarily by the hydrogen bond geometry and only slightly by the presence of the ion. The calculations show that the R N2N7 distance of the N2‐H2⋅⋅⋅N7 hydrogen bond is characterized by strong correlations to both the chemical shifts of the donor group atoms and the h2 J N2N7 couplings. In contrast, weaker correlations between the h3 J N1C6′ couplings and single geometric factors related to the N1‐H1⋅⋅⋅O6C6 hydrogen bond are observed. As such, deriving geometric information on the hydrogen bond through the use of trans ‐hydrogen‐bond couplings and chemical shifts is more complex for the N1‐H1⋅⋅⋅O6C6 hydrogen bond than for the N2‐H2⋅⋅⋅N7 moiety. The computed trans ‐hydrogen‐bond couplings are shown to correlate with the experimentally determined couplings. However, the experimental values do not show such strong geometric dependencies." @default.
• W2100047922 created "2016-06-24" @default.
• W2100047922 creator A5006460840 @default.
• W2100047922 creator A5018202935 @default.
• W2100047922 date "2005-09-26" @default.
• W2100047922 modified "2023-10-16" @default.
• W2100047922 title "Characterization of the Monovalent Ion Position and Hydrogen-Bond Network in Guanine Quartets by DFT Calculations of NMR Parameters" @default.
• W2100047922 cites W134136377 @default.
• W2100047922 cites W145670190 @default.
• W2100047922 cites W1548107888 @default.
• W2100047922 cites W1855044399 @default.
• W2100047922 cites W1974636083 @default.
• W2100047922 cites W1978451195 @default.
• W2100047922 cites W1978452613 @default.
• W2100047922 cites W1980891056 @default.
• W2100047922 cites W1981353016 @default.
• W2100047922 cites W1983023891 @default.
• W2100047922 cites W1986648841 @default.
• W2100047922 cites W1987046124 @default.
• W2100047922 cites W1987331768 @default.
• W2100047922 cites W1990702227 @default.
• W2100047922 cites W1995024247 @default.
• W2100047922 cites W1995766209 @default.
• W2100047922 cites W1995860456 @default.
• W2100047922 cites W1997586605 @default.
• W2100047922 cites W1997795846 @default.
• W2100047922 cites W1998828819 @default.
• W2100047922 cites W1998864166 @default.
• W2100047922 cites W1999900311 @default.
• W2100047922 cites W2001107360 @default.
• W2100047922 cites W2004017301 @default.
• W2100047922 cites W2004027787 @default.
• W2100047922 cites W2006699053 @default.
• W2100047922 cites W2010253426 @default.
• W2100047922 cites W2010984551 @default.
• W2100047922 cites W2011896002 @default.
• W2100047922 cites W2014522725 @default.
• W2100047922 cites W2016501276 @default.
• W2100047922 cites W2023271753 @default.
• W2100047922 cites W2024306464 @default.
• W2100047922 cites W2035279193 @default.
• W2100047922 cites W2036400318 @default.
• W2100047922 cites W2039241171 @default.
• W2100047922 cites W2042566464 @default.
• W2100047922 cites W2042889324 @default.
• W2100047922 cites W2043144725 @default.
• W2100047922 cites W2043347092 @default.
• W2100047922 cites W2046198727 @default.
• W2100047922 cites W2048612999 @default.
• W2100047922 cites W2049993327 @default.
• W2100047922 cites W2052968074 @default.
• W2100047922 cites W2053767084 @default.
• W2100047922 cites W2054164390 @default.
• W2100047922 cites W2058347203 @default.
• W2100047922 cites W2061733919 @default.
• W2100047922 cites W2066469906 @default.
• W2100047922 cites W2067812458 @default.
• W2100047922 cites W2072760523 @default.
• W2100047922 cites W2074681878 @default.
• W2100047922 cites W2075731279 @default.
• W2100047922 cites W2079991869 @default.
• W2100047922 cites W2081812201 @default.
• W2100047922 cites W2086957099 @default.
• W2100047922 cites W2089305877 @default.
• W2100047922 cites W2090276827 @default.
• W2100047922 cites W2094342137 @default.
• W2100047922 cites W2094849150 @default.
• W2100047922 cites W2106097160 @default.
• W2100047922 cites W2109791983 @default.
• W2100047922 cites W2111517632 @default.
• W2100047922 cites W2115588271 @default.
• W2100047922 cites W2127512377 @default.
• W2100047922 cites W2128402061 @default.
• W2100047922 cites W2132306213 @default.
• W2100047922 cites W2142036695 @default.
• W2100047922 cites W2143981217 @default.
• W2100047922 cites W2148607281 @default.
• W2100047922 cites W2148941593 @default.
• W2100047922 cites W2155976817 @default.
• W2100047922 cites W2156115804 @default.
• W2100047922 cites W2168783496 @default.
• W2100047922 cites W2333757713 @default.
• W2100047922 cites W2395274870 @default.
• W2100047922 cites W269699679 @default.
• W2100047922 cites W283010848 @default.
• W2100047922 cites W314778516 @default.
• W2100047922 cites W4300611374 @default.
• W2100047922 cites W616568137 @default.
• W2100047922 doi "https://doi.org/10.1002/chem.200500198" @default.
• W2100047922 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16052652" @default.
• W2100047922 hasPublicationYear "2005" @default.
• W2100047922 type Work @default.
• W2100047922 sameAs 2100047922 @default.
• W2100047922 citedByCount "65" @default.
• W2100047922 countsByYear W21000479222012 @default.
• W2100047922 countsByYear W21000479222013 @default.
• W2100047922 countsByYear W21000479222014 @default.
• W2100047922 countsByYear W21000479222015 @default.

• next