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Estimating Thermodynamic Stability Relationship of Polymorphs of Sofosbuvir

机译：估计索非布韦多晶型物的热力学稳定性关系

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The polymorphism of sofosbuvir has been investigated. Three polymorphs have been identified and characterized by X-ray powder diffraction (XRPD) and thermal analysis. Form A and Form B were determined as enantiotropic systems according to the Heat of Fusion Rule. The melting data and isobaric heat capacities of both polymorph have been determined calorimetrically, and the solubility data of each polymorph in water at different temperatures have been determined. With these data, the transition temperature (T-tr) was then estimated using solubility extrapolation method, heat of transition (Delta H-tr) method, melting data method, and configurational free energy (G(c)) phase diagram method. The values of T-tr. were found to be 93.29, 90.59, and 108.37 degrees C for the first three methods, respectively. In the G(c) phase diagram method case, T-tr was found to be 109.25 degrees C when eq 19 was used compared to 109.28 degrees C when eq 20 was used.
机译：已经研究了索非布韦的多态性。通过X射线粉末衍射（XRPD）和热分析已鉴定并表征了三种多晶型物。根据聚变热定律将晶型A和晶型B确定为对映体体系。量热测定了两种多晶型物的熔融数据和等压热容量，并确定了每种多晶型物在不同温度下在水中的溶解度数据。利用这些数据，然后使用溶解度外推法，转变热（Delta H-tr）方法，熔融数据方法和构型自由能（G（c））相图方法估算转变温度（T-tr）。 T-tr的值。前三种方法的温度分别为93.29、90.59和108.37摄氏度。在G（c）相图方法的情况下，发现使用eq 19时的T-tr为109.25℃，而使用eq 20时的109.28℃。

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