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Gabriel Teixeira1, Paula Brandão1, Ana I M C Lobo Ferreira2

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科学领域:

  • 制药科学 制药科学
  • 材料科学 材料科学 材料科学
  • 物理化学 物理化学

背景情况:

  • 活性制药成分经常面临溶解性,生物可用性和透性方面的挑战.
  • 深度性溶剂 (DESs) 提供了一种有希望的方法来克服这些局限性.
  • 开发新型DES需要对药物和辅助成分进行仔细的选择.

研究的目的:

  • 通过使用特定的活性药物成分和潜在的辅助物质,研究深层浸泡性溶剂的形成.
  • 通过DES配方解决与药物溶解性,生物可用性和透性相关的挑战.
  • 选和识别有前途的辅助剂用于药物输送应用.

主要方法:

  • 使用COSMO-RS热力学模型对辅助剂进行初步选.
  • 使用视觉化和差分扫描热量计,对九个固体液体平衡 (SLE) 阶段图进行实验测量.
  • 使用粉末和单晶X射线衍射,对新的共晶体进行表征.
  • 使用COSMO-RS (TZVP和TZVPD-FINE参数化) 进行SLE图的热力学建模.

主要成果:

  • 三种辅助物质 (甲基醇,基酸盐,丁酸酸盐) 被认为是有前途的.
  • 所有九个研究的系统都表现出了与热力学理想性相对的负偏差.
  • 发现了四种新的共晶体,并进行了结构验证.
  • 在COSMO-RS模型中,TZVP和TZVPD-FINE参数之间显示了可变的准确性.

结论:

  • 通过精选的活性药物成分和辅助剂,可以有效地形成深度浸泡溶剂.
  • 该研究确定了新的共晶体,并提供了对这些系统的热力学行为的洞察.
  • 进一步的研究可以利用这些发现来改善药物配方和输送.