Institute of Chemistry of the Academy of Sciences of Moldova Larisa Postolachi chemjm_correspondence@yahoo.com mEDRA 20161225

07 10.19261/cjm.2016.11(1).10 http://www.cjm.asm.md/sites/default/files/article_files/ChemJMold201611(1)_74-85_Siaka.pdf Institute of Chemistry of the Academy of Sciences of Moldova mEDRA 01 Institute of Chemistry of the Academy of Sciences of Moldova MD 07 1857-1727 JB 07 2345-1688 JD 11 1 June 2016 01 201606 10 11 74 85 12 1 A01 Abdulfatai Siaka Siaka, Abdulfatai Abdulfatai Siaka 2 A01 Adamu Uzairu Uzairu, Adamu Adamu Uzairu 3 A01 Sulaiman Idris Idris, Sulaiman Sulaiman Idris 4 A01 Hamza Abba Abba, Hamza Hamza Abba 01 eng 20 semicarbazone; kinetics; bi- and unimolecular step; transition step; spontaneity 01 Thermodynamic and kinetic mechanisms of forming six semicarbazones have been investigated computationally by DFT B3LYP method. All the reactions proceed via two transitions and include two consecutive steps: bimolecular and unimolecular. The computed transition steps have varying equilibrium constants values, enthalpy of activation and Gibbs energy of activation, depending on the semicarbazone involved. 201606 2016 Institute of Chemistry of the Academy of Sciences of Moldova Macroscale and Microscale Organic Experiments 9780395902202 Williamson, K.L. 1999 Cerecetto, H.; González, M. Current Topics in Medicinal chemistry, Chemotherapy of chagas’ disease: status and new development. Current Topics in Medicinal Chemistry, 2002, 2, pp. 1185-1190 10.1016/j.farmac.2004.11.012 10.1021/jm050283b Mishra, V.; Pandeya, S.N. Analgesic activity and hypnotic effect of (±)-3-mentone semicarbazone and thiosemicarbazone derivatives. Acta Pharmaceutica, 2001, 51, pp. 183-188 Singhal, M.; Paul, A.; Singh, H.P.; Dubey, S.K.; Gaur, K. Evaluation of reducing power assay of chalcone semicarbazones. Journal of Chemical and Pharmaceutical Research, 2011, 3, pp. 639-645 Rajasekaran, S.; GopalKrishna R.; Sanjay Pai, P.N.; Gurpreet, S.S. Synthesis, Antibacterial and in vitro Antioxidant Activity of 2,3-Substituted Quinazolin-4(3H)-ones. Journal of Chemical and Pharmaceutical Research, 2010, 2, pp. 482-488 10.1021/jm9603025 10.1006/phrs.1997.0250 Pandeya, S.N.; Mishra, V.; Ponnilavarasan, I.; Stables, J.P. Anticonvulsant activity of p-chlorophenyl substituted arylsemicarbazones – the role of primary terminal amino group. Polish Journal of Pharmacology, 2000, 52, pp. 283-290 Pandeya, S.N.; Sowmayalakshmi, V.; Panda, S.S.; Pandey, A.; Stable, J.P. Anticonvulsant activity of semicarbazone derivatives of Mannich bases. Indian Journal of Chemistry, 2003, 42, pp. 2657-2661 Physical Chemistry 9780805338423 Engel, T. 2006