利用热力学模型从过期或未使用的制成品中回收有效药物成分使药物废物增值

IF 3.1 3区 化学 Q2 CHEMISTRY, APPLIED
Jaber Yousefi Seyf*, Fatemeh Zarei and Amir Jalalinejad, 
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引用次数: 0

摘要

本研究旨在探讨从过期或未使用的药品中回收活性药物成分的可能性。选择布洛芬、对乙酰氨基酚、拉莫三嗪、苯巴比妥、卡马西平5种药物作为FPP模型。在研究开始时,通过NRTL-SAC和unifacd - dmd活度系数模型对药物溶解度进行热力学建模,以筛选经美国食品药品监督管理局批准的62种溶剂。这些模型减少了与实验相关的时间和成本。固液萃取、过滤和结晶是用于纯化药物的三个主要单元操作。结果表明,该方法有效成分回收率在47 ~ 81%之间,以50%以上为主。同时,采用熔点红外光谱、紫外光谱、高效液相色谱、核磁共振氢谱等技术对所回收原料药的纯度进行分析。结果表明,大多数回收原料药的纯度接近100%。因此,纯化后的原料药可以在成品公司的配方中重复使用,也可以作为有机化学合成衍生物的起始原料,以获得新的分子。本研究符合绿色化学标准,从环境和经济角度来看具有重要意义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Valorization of Pharmaceutical Waste by Recovery of Active Pharmaceutical Ingredients from Expired or Unused Finished Pharmaceutical Products with Thermodynamic Modeling

This study aims to investigate the possibility of recovering active pharmaceutical ingredients (APIs) from expired or unused finished pharmaceutical products (FPPs). Five pharmaceuticals, including ibuprofen, acetaminophen, lamotrigine, phenobarbital, and carbamazepine, were chosen as FPP models. At the beginning of the study, thermodynamic modeling of pharmaceutical solubility was done by the NRTL-SAC and UNIFAC-DMD activity coefficient models in order to screen the 62 approved solvents as determined by the Food and Drug Administration. These models reduce the time and cost associated with the experimental tries. Solid–liquid extraction, filtration, and crystallization are the three main unit operations that are used to purify pharmaceuticals. Results showed that the efficiency of the active pharmaceutical ingredient recovery is between 47 and 81%, mainly above 50%. Also, the purity of the recovered APIs, as the most important factor, was analyzed using melting point FT-IR, UV, high-performance liquid chromatography, and 1H NMR techniques. Results show that the purity obtained for most recovered APIs is near 100%. So, the purified APIs can be reused in formulation by finished product companies or as starting material in synthesizing derivatives in organic chemistry to obtain new molecules. The present research met the green chemistry criteria and shows significant importance from environmental and economic points of view.

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来源期刊
CiteScore
6.90
自引率
14.70%
发文量
251
审稿时长
2 months
期刊介绍: The journal Organic Process Research & Development serves as a communication tool between industrial chemists and chemists working in universities and research institutes. As such, it reports original work from the broad field of industrial process chemistry but also presents academic results that are relevant, or potentially relevant, to industrial applications. Process chemistry is the science that enables the safe, environmentally benign and ultimately economical manufacturing of organic compounds that are required in larger amounts to help address the needs of society. Consequently, the Journal encompasses every aspect of organic chemistry, including all aspects of catalysis, synthetic methodology development and synthetic strategy exploration, but also includes aspects from analytical and solid-state chemistry and chemical engineering, such as work-up tools,process safety, or flow-chemistry. The goal of development and optimization of chemical reactions and processes is their transfer to a larger scale; original work describing such studies and the actual implementation on scale is highly relevant to the journal. However, studies on new developments from either industry, research institutes or academia that have not yet been demonstrated on scale, but where an industrial utility can be expected and where the study has addressed important prerequisites for a scale-up and has given confidence into the reliability and practicality of the chemistry, also serve the mission of OPR&D as a communication tool between the different contributors to the field.
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