Electronic Properties of a Cytosine Decavanadate: Toward a Better Understanding of Chemical and Biological Properties of Decavanadates

Abstract

We have synthesized and crystallized a cytosine-decavanadate compound, Na(3) [V(10)O(28)] (C(4)N(3)OH(5))(3)(C(4)N(3)OH(6))(3).10H(2)O, and its crystal structure has been determined from a single-crystal X-ray diffraction. A high resolution X-ray diffraction experiment at 210 K (in P1 space group phase) was carried out. The data were refined using a pseudo-atom multipole model to get the electron density and the electrostatic properties of the decavanadate-cytosine complex. Static deformation density maps and Atoms in Molecules (AIM) topological analysis were used for this purpose. To get insight into the reactivity of the decavanadate anion, we have determined the atomic net charges and the molecular electrostatic potential. Special attention was paid to the hydrogen bonding occurring in the solid state between the decavanadate anion and its environment. The comparison of the experimental electronic characteristics of the decavanadate anions to those found in literature reveals that this anion is a rigid entity conserving its intrinsic properties. This is of particular importance for the future investigations of the biological activities of the decavanadate anion.

Decavanadate Salts of Cytosine and Metformin: A Combined Experimental-Theoretical Study of Potential Metallodrugs Against Diabetes and Cancer

“…The first attempt to obtain a compound based on [V 10 O 28 ] 6− units and cytosine was initially explored by our group using sodium metavanadate salt NaVO 3 as a precursor of polyoxovanadate ions. However, as a result, we obtained a compound previously published, where the sodium ions are present in the crystal structure forming metal-complexes with the cytosine molecules and the [V 10 O 28 ] 6− ions (Bošnjakovic-Pavlovic et al, 2009 ). With the purpose of replacing the Na + ions to get Compound 1 , the starting material NaVO 3 was replaced by NH 4 VO 3 .…”

“…There are two structures based on hetero-polyoxometalates, [SeMo 5 O 21 ] 4− and [(HAsO4)Mo 6 O 19 ] 6− (Nagazi and Haddad, 2014 ; Ayed et al, 2015 ). The last and possibly the closest structure to Compound 1 is a compound co-crystallized with [V 10 O 28 ] 6− and Na + ions (Bošnjakovic-Pavlovic et al, 2009 ). However, a duplex structure containing a cytosine/cytosinium dimer is present in this case.…”

Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe4)2[V10O28{Mn(H2O)5}2]·5H2O and [NH3C(CH2OH)3]2[V10O28{Mn(H2O)5}2]·2H2O

“…Research on the electronic properties, catalytic activities and biological roles of polyoxidovanadates has advanced enormously during the last few decades (Bošnjaković-Pavlović et al, 2009;Liu & Zhou, 2010). Among these aggregates, the decavanadate(V) anion is the most intensively studied because of its biological effect on the activities of several enzymes (Aureliano & Ohlin, 2014) and its insulin-mimetic action (Chatkon et al, 2013;Aureliano, 2014).…”

Synthesis of Metforminium(2+) Decavanadates – Crystal Structures and Solid‐State Characterization

“…[8] Recently, hybrid materials, [9] organic decavanadates, have been synthesized with the aim to understand their biological, [10] magnetic, [11] and optical properties. [12] Organic ligands such as tetra-Nalkylammonium, [13,14] tetra-N-butylammonium, [15,16] imidazole, [17] 1,2,4-triazole, [17] 1,10-phenanthroline, [18] cytosine, [19] the dipeptide glycylglycine, [20] and biguanide derivatives have been employed. [8] The organic ligands allow the vicinity of the latter, as a result of the strong Coulombic forces that arise from the ionic charges.…”

“…[9] Interestingly, inorganic and organic decavanadates have been used as building blocks [21] to generate supramolecular frameworks that exhibit wide structural diversity in one, two, or three dimensions (e.g., chains, [13,20,22] layers, [14,16,23] channels, [24] or 3D networks). [10,14,17,18] The formation of the supramolecular structure is strongly dependent on the solvent, [25] pH value, ionic strength, temperature, and nature of the counterions [13][14][15][16][17][18][19][20][21]26] used in the synthesis. In the last decade, the basicity of the oxygen atoms in the decavanadate cluster has been established, [27,28] and the type and strength of hydrogen-bond interactions for the seven types of oxygen atoms in the decavanadate cage with a range of cations and organic molecules has been reviewed recently.…”