On lithium doping in two stable nano-flakes of the B24: The double-ring versus the quasiplanar configuration.

The stable local minima due to the addition of the Li atom to the double-ring and the quasiplanar configurations of the B24 molecule have been searched on the doublet potential energy surface to reveal the structural and electronic features of the Li@B24 system. We report two and seven stable local minima without imaginary vibrational frequency for the Li@B24(double-ring) and the Li@B24(quasiplanar) systems, respectively. The criteria of the adsorption energy, the vertical ionization (VI) energy, the deformation energy, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energy gap, the atomic charges, the spin density distribution, the electron transfer (ET), atoms in molecules (AIM) analysis and the nonlinear optical (NLO) properties have been investigated for all the reported molecules of the Li@B24 system in the present paper. Our results present that both thermodynamic and chemical stability of the Li atom doping to the quasiplanar configuration of the B24 molecule are more than those of the double-ring configuration. Additionally, both the double-ring and the quasiplanar configurations can produce the Li@B24 system with values of high first hyperpolarizability (ßtotal) due to the Li atom doping. In all the reported molecules of the Li@B24 system, electron density of the Li atom decreases due to the existence of the double-ring and the quasiplanar configurations confirming the role of the electron donor for the Li atom. In contrast, both decreasing and increasing electron density have been observed in the B atoms of the Li@B24 system. However, the role of electron acceptor (increasing electron density) for the B atoms is more dominant than the role of electron donor (decreasing electron density). This result highlights chemical flexibility of the B atoms.

Protective effects of Cornus mas fruit extract on carbon tetrachloride induced nephrotoxicity in rats.

Oxidative damage is implicated in the pathogenesis of kidney injury. Cornus mas is used for in renal aliments traditionally in Iran. The present study was aimed to investigate the antioxidant activity of C. mas fruit extract (CMFE) on carbon tetrachloride (CCl4) treated oxidative stress in Wistar albino rats. Forty two male albino rats were divided into seven groups. Group I served as a sham; Group II served as a normal control; Group III served as a toxic control, with CCl4 (1 ml/kg body weight; 80% in olive oil); Groups IV and V received CMFE at doses of 300 and 700 mg/kg before CCl4 injection; Groups VI and VII received extract at same doses orally at 2, 6, 12, 24 and 48 h after CCl4 intoxication. CCl4 injection produced a significant rise in serum markers of oxidative stress and lipid peroxidation product malondialdehyde along with the reduction of antioxidant enzymes such as superoxide dismuta, catalase and glutathion peroxidase. Serum creatinine, urea and uric acid concentrations were increased whereas level of protein and albumin were reduced. Treatment of rats with different doses of fruit extract (300 and 700 mg/kg) significantly (P < 0.05) ameliorated the alterations induced with CCl4 in lipid peroxidation, antioxidant defenses, biochemical and renal lesions. Based on these results, we conclude that CMFE protects kidney from oxidative stress induced by CCl4.