in the present study, the interactions of three different lithium species li+, li3+ and ch3li with several different sites of the most stable tautomers of dna nucleo-bases are presented. this investigation is based on the results of thermochemical properties, quantum theory of atoms in molecules (qtaim) and natural bond orbital (nbo) analysis, obtained at b3lyp/6-311++g(d,p) level of theory. th...

Magnetic metal (Mn, Fe, Co, and Ni) oxides nanocrystals with small size and uniform size distribution are synthesized via a cation-exchange reaction. Two experimental stages are included in the synthesis of metal oxides nanocrystals. Firstly, Cu(OH)2 decomposes to CuO nanocrystals, induced by free metal cations. Compared to CuO nanocrystals produced without any free metal cation, the free metal...

We developed a polymerized crystalline colloidal array photonic material that senses metal cations in water at low concentrations (PCCACS). Metal cations such as Cu2+, Co2+, Ni2+, and Zn2+ bind to 8-hydroxyquinoline groups covalently attached to the PCCACS. At low metal concentrations (<microM), the cations form bisliganded complexes with two 8-hydroxyquinolines that cross-link the hydrogel and...

The gas-phase structures of alkali metal cation-cytosine complexes generated by electrospray ionization are probed via infrared multiple photon dissociation (IRMPD) action spectroscopy and theoretical calculations. IRMPD action spectra of five alkali metal cation-cytosine complexes exhibit both similar and distinctive spectral features over the range of ~1000-1900 cm(-1). The IRMPD spectra of t...

in concentration of hydrogen peroxide, first, the solution should be quite pure, and then, it concentrate with methods such as vacuum distillation and cooling crystallization, because impurities in the hydrogen peroxide solution in high concentrations are causing decomposition of this substance; that is very dangerous. the purpose of this article is separation of chromium and magnesium cations ...

An intensive study has been made to see the performance of the different liner materials with bentonite on the removal efficiency of Cu(II) and Zn(II) from industrial leachate. An artificial neural network (ANN) was used to display the significant levels of the analyzed liner materials on the removal efficiency. The statistical analysis proves that the effect of natural zeolite was significant ...

Some new compounds based on bis-benzimidazole moieties have been synthesized and characterized by IR and NMR spectroscopies. The ability of 3a in transition metal cation sensing such as Co2+, Ni2+, Zn2+, Mn2+, Fe2+ and Cu2+ have been investigated by Uv-vis and fluorescence spectroscopy in methanol solvent. The complexation constants and complex stoichiometry of Cu2+ have been determined. The ex...

We observed the bare W2(+) metal cation upon electron ionization of the weakly bound W(CO)6 dimer. This metal cation can be only observed due to the fast conversion of the weak cluster bond into a strong covalent bond between the metal moieties.