The use of some isati̇n thiosemicarbazone derivatives in controlled drug release with polycaprolactene

The biocompatibility and biodegradability character of PCL make it suitable for conducting a drug delivery approach through its significant penetration into most drugs. In this study, first thiosemicarbazide was dissolved in ethanol and then 3-methoxyphenyl isothiocainate was dropped into the mixture. The solid obtained by reflux was filtered and prepared for crystallization with ethanol. Secondly, by adding 4-(3-methoxyphenyl)-3-thiosemicarbazide (3MoPhTSC) to the PCL solution, 3MoPhTSC doped PCL nanofibers were obtained by electrospinning. These obtained nanofibers were characterized by UV-VIS and FT-IR spectroscopy. The amount of 3MoPhTSC release of this nanofiber was determined by the weight loss method. Corrosion behavior in phosphate buffered saline and artificial body fluid was investigated. In addition, the interaction of 3MoPhTSC and 4MoPhTSC with PCL, gibbs free energy, reaction enthalpy, entropy, thermodynamic properties of zero point were measured theoretically. Electronic energy, frequency and intensity of IR spectroscopy, natural bond orbital theory (NBO) and charge transfer IR spectroscopy results on optimized structures of PCL, 3MoPhTSC, 4MoPhTSC and their complexes coupled to PCL nanofibers the results of IR spectroscopy have indicated that by adding 3MoPhTSC and 4MoPhTSC to the PCL, the frequency of 3MoPhTSC, 4MoPhTSC enhances. The frequencies of 3MoPhTSC-5PCL 3MoPhTSC-9PCL and (3MoPhTSC)2-5PCL were obtained in the highest amounts with 3840,6234; 3841,0571 and 3839,7990 1/cm, respectively. In addition, the spectrum frequency for 4MoPhTSC-5PCL and (4MoPhTSC)2-5PCL complexes was determined to be 3840,1116 and 3840,6142 1/cm, respectively. Finally the physical and electronic properties of the bond length and the atomic charge resulted of natural bond orbital (NBO) calculations have been illustrated for 3MoPhTSC-5PCL, 3MoPhTSC-9PCL and (3MoPhTSC)2-5PCL of 3MoPhTSC and 4MoPhTSC-5PCL and (4MoPhTSC)2-5PCL of 4MoPhTSC. The principal atoms of C, H and O for 3MoPhTSC and 4MoPhTSC complexes doped to PCL have been explored as the active sites of the molecules which introduce an important function for the electron charge transfer