Zobrazeno 1 - 10 of 63 pro vyhledávání: '"1-methylthymine"'
1
Quantum chemical study of nitrosonium complexes of the 9-methyladenine-1-methylthymine complementary pair. Structure and dynamics
Autor: V. G. Shubin, R. V. Andreev, Gennady I. Borodkin
Publikováno v: Russian Journal of Organic Chemistry. 51:1008-1015
Nitrosonium complexes of 1-methylthymine and 9-methyladenine, as well as of their complementary pair, have been studied at the RI-MP2/L1 level of theory. The addition of nitrosonium ion to molecules of these compounds or their H-bonded pair gives a s
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3b3c2c05a3e6b3bef74284792559f661
https://doi.org/10.1134/s1070428015070192
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2
Hoogsteen and Stacked Structures of the 9-Methyladenine···1-Methylthymine Pair Are Populated Equally at Experimental Conditions: Ab Initio and Molecular Dynamics Study
Autor: Martin Kratochvíl, Jaroslav Vacek, Pavel Hobza, Filip Ryjáček, Ola Engkvist
Publikováno v: The Journal of Physical Chemistry A. 105:1197-1202
The potential energy surface (PES) of the 9-methyladenine···1-methylthymine (mA···mT) nucleic acid base pair was investigated using molecular dynamics/quenching method utilizing the Cornell et al. (Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gou
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fb24d340acf64fc39dd4b0c094062ff5
https://doi.org/10.1021/jp003078a
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3
Energy barriers between H-bonded and stacked structures of 9-methyladenine⋯1-methylthymine and 9-methylguanine⋯1-methylcytosine complexes
Autor: Jiří Černý, Pavel Hobza
Publikováno v: Chem. Commun.. 46:383-385
The transition structures (TS) between H-bonded (H) and stacked (S) structures of 9-methyladenine...1-methylthymine and 9-methylguanine...1-methylcytosine base pairs were localized at the DFT-D/TZVP potential energy surface. The energy barrier betwee
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78cf5562a34a862e57b36df72c811ae5
https://doi.org/10.1039/b913209k
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4
Synthesis of platinum(II) complexes of thymidine and 1-methylthymine (1-MeThy); crystal structure of cis-[PtCl(1-MeThy)(PPh3)2]
Autor: Alessandra Romanelli, Francesco Ruffo, Rosa Iacovino, Anna Messere, Michele Saviano, Gennaro Piccialli, Lorenzo De Napoli, Daniela Montesarchio
Publikováno v: Scopus-Elsevier
The reaction of 3′,5′-di-O-acetylthymidine with [Pt(PPh3)4] and KCl yielded a platinum(II) complex where the platinum is co-ordinated to the nucleobase through the N3 atom. In a similar reaction 1-methylthymine (1-MeThy) furnished the complex cis
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::854dea63adf017f3e40751fb17a53557
https://doi.org/10.1039/a901459d
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5
A new macrocyclic tetraamine, 2,4-dinitrophenylcyclen (= 1-(2,4-dinitrophenyl)-1,4,7,10-tetraazacyclododecane):synthesis, cation reporter properties, and recognition of 1-methylthymine by its zinc(II) complex
Autor: Shin Aoki, Tohru Koike, Teruhiro Gotoh, Motoo Shiro, Eiichi Kimura
Publikováno v: Inorganica Chimica Acta. 270:424-432
A new functional macrocyclic ligand, 2,4-dinitrophenylcyclen (= 1-(2,4-dinitrophenyl)-1,4,7,10-tetraazacyclododecane), has been synthesized and isolated as its trihydrochloric acid salt (L·3HCl). The protonation constants (log Kn) for three secondar
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5f3dca42ea879b58b30280a66891bb80
https://doi.org/10.1016/s0020-1693(97)05998-7
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6
Simultaneous binding of soft and hard metals to a pyrimidine nucleobase: Preparation and X-ray structure of [(en)Pd(1-MeT)2Na2](NO3)2·H2O (1-MeT = 1-methylthymine anion)
Autor: Alberto Albinati, Wolfgang Micklitz, Francesca Lianza, Bernhard Lippert
Publikováno v: Inorganica Chimica Acta. 227:5-10
The crystal structure of [(en)Pd(1-MeT)2Na2](NO3)2·H2O, where 1-MeT = 1-methylthymine anion, C6H7N2O2, is reported. The compound crystallizes in the monoclinic system, space group P21/c with a = 8.203(1), b = 20.908(5), c = 13.644(5) A, β = 98.35(2
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bae672c7cb058d447cf9aa0931b15c31
https://doi.org/10.1016/0020-1693(94)04133-4
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7
Formation and X-ray crystal structure analysis of a Pt(IV) complex of 1-methylthymine, obtained through Au(III) treatment of a Pt(II)complex
Autor: Bernhard Lippert, Alberto Albinati, Francesca Lianza, Oliver Renn
Publikováno v: Inorganica Chimica Acta. 211:177-182
The crystal structure of cis,cis-[(NH3)2Pt(1-MeT)2(OH)(H2O)]AuCI4·H2O, where 1-MeT is the anion of 1- methylthymine, C6H7N2O2, is reported. The compound contains both heterocyclic bases bound to Pt via the N3 positions, the two nucleobase ligands be
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d7462c5e12f7dad15ed140346dc4a38d
https://doi.org/10.1016/s0020-1693(00)85599-1
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10
Alkali-nucleobase interactions: Involvement of exocyclic oxygens of 1-methyluracil and 1-methylthymine in Na+ binding
Autor: Hans Preut, Helmut Schöllhorn, Ulf Thewalt, Bernhard Lippert, Birgit Fischer
Publikováno v: Polyhedron. 9:2199-2204
Co-crystallization of Na[AuCl4] with 1-methyluracil, C5H6N2O2 (1-MeUH), and 1-methylthymine, C6H8N2O2 (1-MeTH), at pH 0.8 yields predominently salts of composition [Na(1-MeUH)4][AuCl4] (1) and [Na(1-MeTH)(H2O)4][AUCl4]·1-MeTH·2H2O (2). Both 1 and 2
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f966940fb4d09cd510330b9259dc3d4f
https://doi.org/10.1016/s0277-5387(00)86942-9
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