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计算机辅助绿色通过设计方法解决和量化Triamterene和Hydrochlorothiazide在制药混合物中使用多层次动态模拟

Ahmed Elsonbaty¹, Khaled Attala², Eman Darweish¹

¹Pharmaceutical Chemistry Department, Faculty of Pharmacy, Egyptian Russian University, Badr City, 11829, Cairo, Egypt.

Scientific reports

|August 6, 2025

概括

这项研究引入了一种更绿色的紫外线光谱方法,用于分析药品中的化和三二烯. 绿色设计方法减少了时间和溶剂浪费,提高了分析效率和可持续性.

科学领域:

分析化学分析化学
绿色化学绿色化学
药品分析药品分析

背景情况:

传统的分析方法往往涉及大量的时间和溶剂浪费.
在分析化学中建立可持续的实践对于减少环境影响至关重要.
绿色设计 (GbD) 为开发环保分析方法提供了一个框架.

研究的目的:

开发和验证一种更绿色的紫外线光谱方法,用于在制药混合物中确定化和三二烯.
将绿色设计 (GbD) 原则纳入分析方法的开发.
为了减少溶剂消耗和分析时间,同时保持精度和灵敏度.

主要方法:

利用紫外线光谱学与数学操作相结合,如富里埃自分解和比率光谱方法.
采用分子和电子动力学模拟来选择最佳的妥协溶剂.
在整个方法开发过程中应用绿色设计 (GbD) 原则.

主要成果:

顺利确定了Hydrochlorothiazide和Triamterene的线性范围,分别为 (1-18) μg/mL和 (1-14) μg/mL.
在 (0.255-1.359) 微克/毫升范围内达到敏感检测和量化极限.
显著减少了生态足迹,证实了更绿色的结果.

结论:

由Gbd指导的开发的紫外线光谱方法为制药分析提供了一种高效和可持续的方法.
这种方法有效地减少了时间和溶剂浪费,与绿色化学原则保持一致.
该研究强调了Gbd在促进制药行业可持续分析实践方面的潜力.

关键词:

通过设计的绿色化数学操作的光谱方法.分子和电子动力学模拟.基于比例的紫外线光谱光度计.

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