ASSOCIATION OF URACIL WITH Zn2+ AND THE HYDRATED Zn2+: A DFT INVESTIGATION

Keywords

Uracil, Denticity, Chemistry, Zinc, Density functional theory

References

• The relationship between hydrogen bonding and base stacking in crystalline 4-thiouridine derivatives.Rüdiger Görner — 1973
• 4-Phenyloxazolidin-2-ones and isoindolin-1-ones; chiral auxiliaries for Diels-Alder reactions of N-substituted 1,3-dienes.Helena McAlonan, James P. Murphy, M. Nieuwenhuyzen — 2002
• A Quantum Chemical Study of Cu2+ Interacting with Guanine−Cytosine Base Pair. Electrostatic and Oxidative Effects on Intermolecular Proton-Transfer ProcessesMarc Noguera-Julián, J. Bertrán, Mariona Sodupe — 2004
• 2,4-diselenouracil tautomers: structures, energies, and a comparison with uracil and 2,4-dithiouracilJerzy Leszczyński, Jiřı́ Šponer — 1996
• Enzymatic synthesis of DNA with 4-thio-thymidine triphosphate as substitute for dTTP.Axel Lezius, K.H. Scheit — 1967
• Antiviral activities of nucleotide heterodimers against human immunodeficiency virus type 1 in vitro.Katsushi Ijichi, Masatoshi Fujiwara, Kenya Mori — 1996
• Comparison of Density Functional and MP2 Calculations on the Water Monomer and DimerK. Kim, Kenneth D. Jordan — 1994
• Photoinduced charge-transfer dehydrogenation in a gas-phase metal-DNA base complex: Al-cytosine.David Bue Pedersen, Marek Z. Zgierski, Stéphane Dénommée — 2002
• Natural population analysisAlan E. Reed, Robert B. Weinstock, Frank Weinhold — 1985
• Theoretical Study of Binding of Hydrated Zn(II) and Mg(II) Cations to 5‘-Guanosine Monophosphate. Toward Polarizable Molecular Mechanics for DNA and RNANohad Gresh, Judit E. Šponer, Nad’a Špačková — 2003
• Gaussian-3X (G3X) theory : use of improved geometries, zero-point energies, and Hartree-Fock basis sets.Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari — 2001
• Interaction of the Adenine−Thymine Watson−Crick and Adenine−Adenine Reverse-Hoogsteen DNA Base Pairs with Hydrated Group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and IIb (Zn2+, Cd2+, Hg2+) Metal Cations: Absence of the Base Pair Stabilization by Metal-Induced Polarization EffectsJiřı́ Šponer, Michal Sabat, Jaroslav V. Burda — 1999
• A modification of the Gaussian‐2 approach using density functional theoryCharles W. Bauschlicher, Harry Partridge — 1995
• Interactions between neutral molecules and Ca2+: An assessment of theoretical proceduresInés Corral, Otília Mó, Manuel Yáñez — 2003
• Gaussian density functional calculations on hydrogen-bonded systemsFiona Sim, Alain St.‐Amant, Imre Pápai — 1992
• Noncovalent Interactions of Nucleic Acid Bases (Uracil, Thymine, and Adenine) with Alkali Metal Ions. Threshold Collision-Induced Dissociation and Theoretical StudiesM. T. Rodgers, P. B. Armentrout — 2000
• Gas-phase deprotonation of uracil-Cu2+ and thiouracil-Cu2+ complexes.Al Mokhtar Lamsabhi, Manuel Alcamı́, Otília Mó — 2006
• Coupling Character between Imidazole and Imidazole Cation: Implication for the Coupling Modes of Biomolecular ResiduesShihai Yan, Yuxiang Bu, Zhaohua Cao — 2004
• Lithium Affinity for DNA and RNA Nucleobases. The Role of Theoretical Information in the Elucidation of the Mass Spectrometry DataNino Russo, Marirosa Toscano, André Grand — 2001
• Bond energies and attachments sites of sodium and potassium cations to DNA and RNA nucleic acid bases in the gas phase.Nino Russo, Marirosa Toscano, André Grand — 2001

Cited by

• Comparison of density functionals for reactions of sulfur ylides with aldehydes and olefins.Carles Acosta‐Silva, Vicenç Branchadell — 2007
• Influence of the environment on the specificity of the Mg(II) binding to uracil.Ingrid Romancová, Zdeněk Chval, Milan Předota — 2012
• Crystal structure and computational study of cyclohexylammonium 5-bromo-6-chloro uracil anion: evidence for covalent and stacked dimers providing new structural insights into aggregation in uracil anion salts and related compoundsHugo Paul Collin, Cristal Mendes Passos, Camilo Henrique da Silva Lima — 2026
• Crystal structure and computational study of cyclohexylammonium 5-bromo-6-chloro uracil anion: evidence for covalent and stacked dimers providing new structural insights into aggregation in uracil anion salts and related compoundsHugo Paul Collin, Cristal Mendes Passos, Camilo Henrique da Silva Lima — 2026

Related papers

• Probing the Coordination Chemistry of N-2-Pyridylimidoyl-2-pyridylamidine: A Versatile Ligand with Multiple Coordination SitesRaúl Castañeda, Andrew Hollingshead, Bulat Gabidullin — 2017
• Pre-service Chemistry Teachers’ Knowledge of the Coordination Number and the Oxidation Number in Coordination CompoundsNurcan Turan Oluk — 2022
• COORDINATION CHEMISTRY OF DIMETHYLGOLD(III). SYNTHESIS, STRUCTURAL STUDIES, AND FLUXIONAL BEHAVIOR OF COMPLEXES WITH POLYDENTATE LIGANDSP. K. BYERS, Allan J. Canty, Nigel J. Minchin — 1985
• Bidentate organophosphorus ligands formed via P–N bond formation: synthesis and coordination chemistryTuan Q. Ly, J. Derek Woollins — 1998
• Study of the supramolecular interactions of carboxylic acids used as versatile ligands in coordination chemistryCharlane C. Corrêa, Felipe Mageste Scaldini, Flávia C. Machado — 2016
• Synthesis and coordination chemistry of multidentate phosphine ligandsMark Peter Driver — 2016
• Establishing coordination numbers for the lanthanides in simple complexesS. A. Cotton — 2005
• Elucidating Solution-State Coordination Modes of Multidentate Neutral Amine Ligands with Group-1 Metal Cations: Variable-Temperature NMR StudiesNathan Davison, James A. Quirk, Corinne Wills — 2022