Department of Physics, Capital Normal University, Beijing 100048, China; Beijing Advanced Innovation Centre for Imaging Theory and Technology, Beijing 100048, China; Beijing Key Laboratory for Terahertz Spectroscopy and Imaging, Beijing 100048, China; Key Laboratory of Terahertz Optoelectronics, Ministry of Education, Beijing 100048, China.
Department of Physics, Capital Normal University, Beijing 100048, China; Beijing Advanced Innovation Centre for Imaging Theory and Technology, Beijing 100048, China; Beijing Key Laboratory for Terahertz Spectroscopy and Imaging, Beijing 100048, China; Key Laboratory of Terahertz Optoelectronics, Ministry of Education, Beijing 100048, China.
Int J Pharm. 2024 Feb 15;651:123767. doi: 10.1016/j.ijpharm.2024.123767. Epub 2024 Jan 8.
Salicylic acid is a raw material for preparing aspirin and holds an important position in medical history. Studying the crystallization of these two drugs is of great significance in improving their dissolution rate, bioavailability, and physical stability. Although various techniques have been used for structural characterization, there is still a lack of information on the collective vibrational behavior of aspirin and salicylic acid eutectic compounds. Firstly, two starting materials (salicylic acid and aspirin) were ground in a 1:1 M ratio to prepare eutectic compounds. The eutectic composition was studied using vibrational spectroscopy techniques, such as X-ray powder diffusion (XRPD), terahertz time-domain spectroscopy (THz-TDS), and Raman spectroscopy. Additionally, the structure of the aspirin and salicylic acid eutectic was simulated and optimized using density functional theory. It was found that the eutectic type II was the most consistent with the experiment, and the corresponding vibration modes of each peak were provided. These results offer a unique method for characterizing the structural composition of eutectic crystals, which can be utilized to enhance the physical and chemical properties, as well as the pharmacological activity, of specific drugs at the molecular level.
水杨酸是制备阿司匹林的原料，在医学史上占有重要地位。研究这两种药物的结晶对于提高它们的溶解速率、生物利用度和物理稳定性具有重要意义。尽管已经使用了各种技术进行结构表征，但对于阿司匹林和水杨酸共晶化合物的集体振动行为仍缺乏信息。首先，将两种起始材料（水杨酸和阿司匹林）以 1:1 的摩尔比研磨，制备共晶化合物。使用振动光谱技术，如 X 射线粉末衍射（XRPD）、太赫兹时域光谱（THz-TDS）和拉曼光谱，研究了共晶的组成。此外，还使用密度泛函理论模拟和优化了阿司匹林和水杨酸共晶的结构。结果表明，共晶 II 型与实验最吻合，并提供了每个峰的相应振动模式。这些结果为共晶晶体结构组成的特征提供了一种独特的方法，可以在分子水平上增强特定药物的物理和化学性质以及药理活性。
