https://cirworld.com/index.php/jac/issue/feed JOURNAL OF ADVANCES IN CHEMISTRY 2019-02-22T11:18:48+00:00 Gurdev Singh editor@cirworld.com Open Journal Systems Interested in submitting to this journal? We recommend that you review the About the Journal page for the journal's section policies, as well as the Author Guidelines. Authors need to register with the journal prior to submitting or, if already registered, can simply log in and begin the five-step process. https://cirworld.com/index.php/jac/article/view/8030 Synthesis, Spectroscopic Characterization And Antimicrobial Evaluation of Novel Nitrogen Containing Metal Complexes 2019-02-22T11:18:48+00:00 Hanaa A. El-Boraey helboraey@yahoo.com Aballah El-domiaty eldomiaty_777@yahoo.com <p>Four novel Mn(II), Co(II), Cu(II) complexes with nitrogen containing ligand (L) i.e. N,N-((Z)-ethane-1,2-diylidine)bis(2-amino benzo hydrazide) have been synthesized and structurally characterized by elemental analysis, spectral, thermal (TG/DTG), molar conductance and magnetic susceptibility measurements. From the spectroscopic and magnetic studies it has been concluded that all complexes have a six coordinated octahedral geometry. The Schiff base and their metal complexes have also been screened for their antibacterial and antifungal activities by using a modified Kirby-Bauer disc diffusion method.</p> 2019-01-31T04:12:25+00:00 ##submission.copyrightStatement## https://cirworld.com/index.php/jac/article/view/8099 Structural And Vibrational Studies on Isomers of Antiviral Ribavirin Drug in Gas and Aqueous Environmental by Using The SQM Approach 2019-02-22T11:18:48+00:00 María Florencia Ladetto mflo94@yahoo.com.ar María Jimena Márquez wime.02@gmail.com Davide Romani dromaniti@gmail.com Silvia Antonia Brandán brandansa@yahoo.com.ar <p>Five stable isomers of antiviral ribavirin agent were theoretically determined in gas and aqueous solution by using the hybrid B3LYP/6-31G* method. Here, the solvent effects were studied with the self consistent reaction field (SCRF) methodology employing the polarized continuum (PCM) and the universal solvation model (SM). Structural, electronic and topological properties were reported for all isomers while the vibrational analyses were performed only for those two polymorphic structures experimentally observed in the solid phase by X-ray diffraction. Calculations have evidenced that C2 correspond to the polymorphic V1 structure while C5 to the polymorphic V2 structure. The high dipole moment values predicted for C2 and C5 in both media could probably explain their presences in the solid. Experimental available IR and Raman spectra of ribavirin in the solid state and normal internal coordinates were employed together with the scaled quantum mechanical force field (SQMFF) approach to perform the complete vibrational assignments in both media. Here, the 81 vibration modes expected for C2 and C5 in both media were completely assigned. The frontier orbitals studies reveal that C5 is the less reactive in both media. Here, the gap value observed for C5 is in agreement with the value recently reported for ribavirin by using B3LYP/6-311++G** calculations.</p> 2019-01-31T04:14:55+00:00 ##submission.copyrightStatement##