ab initio calculations at hf/6-31g* level of theory for geometry optimization and mp2/6-31g*//hf/6-31g* for a single point total energy calculation are reported for the importantenergy-minimum conformations and transition-state geometries of 1, 3-diazacyclohepta-1, 2-diene (2) and 1, 3-diazacycloocta-1, 2-diene (3). the c2 symmetric twist-chair (2-tc)conformation of 2 is calculated to be 7.4 kj...

ab initio calculation at hf/6-31g* level of theory for geometry optimization and mp2/6-31g*//hf/6-31g* for a single point total energy calculation are reported for the important energyminimumconformations and transition-state geometries of of cyclodeca-1,2,3-triene (1). the mostfavorable conformation of 1 is a unsymmetrical twist-chair (1-tc) structure. degenerateinterconversion of 1-tc with it...

the effects of electromagnetic fields (emfs) radiation at the frequency of 940 mhz on the structure and function of human adult and fetal hemoglobin (hba and hbf) were studied. after extraction and purification of hba and hbf, the oxygen absorption values for exposed and unexposed hba and hbf to emf were compared. the slope of oxygen absorption curve for exposed hba was increased while that for...

vascular endothelial growth factor receptor-2 (vegfr-2); a cell surface receptor for vascular endothelial growth factors, is a key pharmacological target involved in the cell proliferation/angiogenesis. it has been revealed that vegfr-2 induces proliferation through activation of the extracellular signal-regulated kinases pathway. in this regard, targeting the vegfr-2 has been considered as an ...