title: Direct detection of the mercury-nitrogen bond in the thymine-Hg(II)-thymine base-pair with (199)Hg NMR spectroscopy.
abstract: We have observed the 1-bond (199)Hg-(15)N J-coupling ((1)J((199)Hg,(15)N) = 1050 Hz) within the Hg(II)-mediated thymine-thymine base pair (T-Hg(II)-T). This strikingly large (1)J((199)Hg,(15)N) is the first one for canonical sp(2)-nitrogen atoms, which can be a sensitive structure-probe of N-mercurated compounds and a direct evidence for N-mercuration.
authors.affiliation: Graduate School of Pharmaceutical Sciences, Tohoku University, 6-3 Aza-Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8578, Japan. tanaka@mail.pharm.tohoku.ac.jp.
authors.forename: Takenori
authors.initials: T
authors.lastname: Dairaku
authors.forename: Kyoko
authors.initials: K
authors.lastname: Furuita
authors.forename: Hajime
authors.initials: H
authors.lastname: Sato
authors.forename: Jakub
authors.initials: J
authors.lastname: Šebera
authors.forename: Daichi
authors.initials: D
authors.lastname: Yamanaka
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Otaki
authors.forename: Shoko
authors.initials: S
authors.lastname: Kikkawa
authors.forename: Yoshinori
authors.initials: Y
authors.lastname: Kondo
authors.forename: Ritsuko
authors.initials: R
authors.lastname: Katahira
authors.forename: F
authors.initials: F
authors.lastname: Matthias Bickelhaupt
authors.forename: Célia
authors.initials: C
authors.lastname: Fonseca Guerra
authors.forename: Akira
authors.initials: A
authors.lastname: Ono
authors.forename: Vladimír
authors.initials: V
authors.lastname: Sychrovský
authors.forename: Chojiro
authors.initials: C
authors.lastname: Kojima
authors.forename: Yoshiyuki
authors.initials: Y
authors.lastname: Tanaka
mesh_terms: D020029:Base Pairing; D004247:DNA / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D008628:Mercury / Q000737:chemistry*; D008629:Mercury Isotopes; D009584:Nitrogen / Q000737:chemistry*; D009587:Nitrogen Isotopes; D013941:Thymine / Q000737:chemistry*
chemical_list: D008629:Mercury Isotopes; D009587:Nitrogen Isotopes; D004247:DNA; D008628:Mercury; D009584:Nitrogen; D013941:Thymine