FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3011552810> ?p ?o ?g. }

• W3011552810 endingPage "7486" @default.
• W3011552810 startingPage "7477" @default.
• W3011552810 abstract "Metallo-DNA is considered promising in regard to functional molecular electronic elements. From this perspective, the longitudinal charge transport within metallo-DNA is usually studied. By contrast, this work was aimed at the transversal conductance of metallo-DNA, particularly at the effect of Hg and Ag metals on the conductance of base pairs. The charge transport through metal-mediated base pairs involving Hg(II) and Ag(I) metals, deoxythymidine (T) and 4-deoxythiothymidine (Ts), was studied by means of density functional theory (DFT) calculations employing the non-equilibrium Green’s function (NEGF) method and electronic coupling calculations. The calculations showed that the conductance along the base-to-base charge transport pathway was significantly enhanced mainly due to the Hg(II)-mediated linkage. This work further showed that not only the metals within the metallo-base pair but also the substitution of the O4 atom in deoxythymidine by sulfur (the Ts nucleoside) enhanced molecular conductance as in the case of Ts–Ag(I)2–Ts. The bias charge transport for T–Ag(I)2–T was less effective than the transport for a TT mismatched base pair. The Ag orbitals participated in the highest occupied molecular orbital (HOMO) of T–Ag(I)2–T and Ts–Ag(I)2–Ts in contrast to negligible participation of Hg orbitals in the HOMO of T–Hg(II)–T. Therefore, a Coulomb blockade effect can be assumed particularly for Ag-mediated base pairs as was apparent from the plateau obtained for the calculated I/V dependencies. The Ag-mediated base pairs can, thus, be potentially utilized as molecular transistors. In addition, the metallo-base pairs anchored to gold electrodes mediated by sulfur preferred hole transport against the electron transport mechanism. This work highlighted the importance of electronic compatibility between the organic DNA scaffold and a particular metal that is essential for effective charge transport through metallo-base pairs (M-base pairs)." @default.
• W3011552810 created "2020-03-23" @default.
• W3011552810 creator A5028535355 @default.
• W3011552810 creator A5030848754 @default.
• W3011552810 creator A5053653475 @default.
• W3011552810 creator A5071916609 @default.
• W3011552810 date "2020-03-11" @default.
• W3011552810 modified "2023-09-30" @default.
• W3011552810 title "Interstrand Charge Transport within Metallo-DNA: the Effect Due to Hg(II)- and Ag(I)-Mediated Base Pairs" @default.
• W3011552810 cites W1519200908 @default.
• W3011552810 cites W1778022386 @default.
• W3011552810 cites W1966182479 @default.
• W3011552810 cites W1966220862 @default.
• W3011552810 cites W1967236984 @default.
• W3011552810 cites W1968569831 @default.
• W3011552810 cites W1971275758 @default.
• W3011552810 cites W1972826950 @default.
• W3011552810 cites W1974326663 @default.
• W3011552810 cites W1974832773 @default.
• W3011552810 cites W1975708211 @default.
• W3011552810 cites W1976699917 @default.
• W3011552810 cites W1977460640 @default.
• W3011552810 cites W1981368803 @default.
• W3011552810 cites W1984081866 @default.
• W3011552810 cites W1988044740 @default.
• W3011552810 cites W1995725314 @default.
• W3011552810 cites W1996598794 @default.
• W3011552810 cites W2004117188 @default.
• W3011552810 cites W2005318398 @default.
• W3011552810 cites W2008423326 @default.
• W3011552810 cites W2009127016 @default.
• W3011552810 cites W2017805851 @default.
• W3011552810 cites W2022507519 @default.
• W3011552810 cites W2028453036 @default.
• W3011552810 cites W2028463335 @default.
• W3011552810 cites W2038767330 @default.
• W3011552810 cites W2042751038 @default.
• W3011552810 cites W2042944554 @default.
• W3011552810 cites W2043974932 @default.
• W3011552810 cites W2044490585 @default.
• W3011552810 cites W2045177416 @default.
• W3011552810 cites W2049681700 @default.
• W3011552810 cites W2050428267 @default.
• W3011552810 cites W2051873988 @default.
• W3011552810 cites W2052637367 @default.
• W3011552810 cites W2052772183 @default.
• W3011552810 cites W2058014257 @default.
• W3011552810 cites W2059331722 @default.
• W3011552810 cites W2059476722 @default.
• W3011552810 cites W2064972836 @default.
• W3011552810 cites W2068617439 @default.
• W3011552810 cites W2072910328 @default.
• W3011552810 cites W2077391932 @default.
• W3011552810 cites W2082915575 @default.
• W3011552810 cites W2092705937 @default.
• W3011552810 cites W2096322926 @default.
• W3011552810 cites W2103801231 @default.
• W3011552810 cites W2106824077 @default.
• W3011552810 cites W2108392165 @default.
• W3011552810 cites W2108446403 @default.
• W3011552810 cites W2110000484 @default.
• W3011552810 cites W2112619768 @default.
• W3011552810 cites W2115525122 @default.
• W3011552810 cites W2116267801 @default.
• W3011552810 cites W2116373706 @default.
• W3011552810 cites W2117095870 @default.
• W3011552810 cites W2119715145 @default.
• W3011552810 cites W2123995153 @default.
• W3011552810 cites W2126952850 @default.
• W3011552810 cites W2131783930 @default.
• W3011552810 cites W2147747013 @default.
• W3011552810 cites W2148458708 @default.
• W3011552810 cites W2150345533 @default.
• W3011552810 cites W2151324716 @default.
• W3011552810 cites W2153703895 @default.
• W3011552810 cites W2159644192 @default.
• W3011552810 cites W2164318957 @default.
• W3011552810 cites W2165345102 @default.
• W3011552810 cites W2170780959 @default.
• W3011552810 cites W2299928534 @default.
• W3011552810 cites W2322190941 @default.
• W3011552810 cites W2328531090 @default.
• W3011552810 cites W2332278601 @default.
• W3011552810 cites W2332833843 @default.
• W3011552810 cites W2334293497 @default.
• W3011552810 cites W2334545015 @default.
• W3011552810 cites W2406472204 @default.
• W3011552810 cites W2480012674 @default.
• W3011552810 cites W2497114455 @default.
• W3011552810 cites W2505668806 @default.
• W3011552810 cites W2509119374 @default.
• W3011552810 cites W2515715388 @default.
• W3011552810 cites W2559753078 @default.
• W3011552810 cites W2561233307 @default.
• W3011552810 cites W2616927279 @default.
• W3011552810 cites W2725360477 @default.
• W3011552810 cites W2725766389 @default.
• W3011552810 cites W2738050297 @default.

• next