In this study, the oil of linden seeds collected from Malatya region was taken by solvent extraction method and their characterization was made. Seeds for experiments at the end of August 2018, linden seeds in Malatya region were collected and their outer shells were separated from the seeds and oil was obtained with a Soxhlet device. Acetone, hexane and ethyl alcohol were used as solvents in the Soxhlet device. In order to determine the oil quality of the obtained oils, XRD, SEM, elemental analysis, ash determination, saponification number were subjected to a number of analyzes. As a result of the analyzes made, the oil yield with acetone was 28% by weight, with hexane 28.65% and 33% ethyl alcohol values were determined. In the fatty acid composition of linden tree seeds, the values by weight were found to be oleic acid: 27,442 for acetone, 30,852 for hexane, 10,9545 for palmitic acid: acetone, 11,929 for hexane, 51,188 for linoleic acid: acetone, 44,145 for hexane. The soap number values are 176.72 for hexane in mg KOH/g oil; 246.94 for acetone; It was found as 232.48 for ethyl alcohol. Ash determination values average 5,575%; bark ash was found to be 2.1% differently.
This current study dealt with the quantum chemical analysis of fentanyl compound, which is a potent synthetic analgesic. First of all, the geometry optimizations were carried out via Density Functional Theory (DFT) and Hartree-Fock (HF) methods in both the gas and the water phase. The B3LYP functional and the HF method were used with the 6-31G (d,p) and 6-31++G (d,p) basis sets. Computed structural parameters were compared with the data available in the literature and consistent results were obtained for all four different methodologies. Charge distributions of each atom of fentanyl were obtained by Mulliken and natural population analysis. Accompanied by calculated molecular descriptors, the results of frontier molecular orbital (FMO) analysis and natural bond orbital (NBO) analysis were reported. Finally, molecular electrostatic potential (MEP) analysis has been performed to estimate reactive sites for electrophilic and nucleophilic attacks. Total density, ESP, MEP, and contour maps were visualized at B3LYP/6-31++G (d,p) level of theory. Gaussian 16 and GaussView 6 software packages were used to carry out all these studies.
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