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Thermal Analysis Investigation of Dapoxetine and Vardenafil Hydrochlorides using Molecular Orbital Calculations

机译:用分子轨道计算研究达泊西汀和盐酸伐地那非的热分析

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摘要

Purpose: Thermal analysis techniques have been used to study the thermal behavior of dapoxetine and vardenafil hydrochlorides and confirmed using semi-empirical molecular orbital calculations. >Methods: Thermogravimetric analysis, derivative thermogravimetry, differential thermal analysis and differential scanning calorimetry were used to determine the thermal behavior and purity of the drugs under investigation. Thermodynamic parameters such as activation energy, enthalpy, entropy and Gibbs free energy were calculated. >Results: Thermal behavior of DAP and VAR were confirmed using by semi-empirical molecular orbital calculations. The purity values were found to be 99.97% and 99.95% for dapoxetine and vardenafil hydrochlorides, respectively. The purity of dapoxetine and vardenafil hydrochlorides is similar to that found by reported methods according to DSC data. >Conclusion: Thermal analysis justifies its application in quality control of pharmaceutical compounds due to its simplicity, sensitivity and low operational costs.
机译:目的:热分析技术已被用于研究达泊西汀和伐地那非盐酸盐的热行为,并已通过半经验分子轨道计算得到证实。 >方法:使用热重分析,导数热重分析,差示热分析和差示扫描量热法确定所研究药物的热行为和纯度。计算了诸如活化能,焓,熵和吉布斯自由能的热力学参数。 >结果:通过半经验分子轨道计算,证实了DAP和VAR的热行为。盐酸达泊西汀和伐地那非的纯度分别为99.97%和99.95%。根据DSC数据,达泊西汀和盐酸伐地那非的纯度与所报道的方法相似。 >结论:由于其简单,灵敏且运营成本低,热分析证明了其在药物化合物质量控制中的应用合理性。

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