A Green-and-White Integrative Analytical Strategy Combining Univariate and Chemometric Techniques for Quantifying Recently Approved Multi-Drug Eye Solution and Potentially Cancer-Causing Impurities: Application to the Aqueous Humor.

IF 1.7 4区 农林科学 Q3 CHEMISTRY, ANALYTICAL
Khalid A M Attia, Ahmed El-Olemy, Sherif M Eid, Ahmed Emad F Abbas
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引用次数: 0

Abstract

Background: Drug impurities are now seen as a major threat to the production of pharmaceuticals around the world and a major part of the global contamination problem, especially when it comes to carcinogenic impurities.

Objective: We present the first spectrophotometric strategy based on a combination of univariate and multivariate methods as impurity profiling methods for the estimation of lignocaine (LIG) and fluorescein (FLS) with their carcinogenic impurities: 2,6-xylidine (XYL) and benzene-1,3-diol (BZD).

Method: The data processing strategy depends on overcoming unresolved bands by employing five affordable, accurate, selective, and sensitive methods. The methods applied were a direct UV univariate spectrophotometric analysis (D0) and four multivariate chemometric methods, including classical least squares (CLS), principal component regression (PCR), partial least squares (PLS), and genetic algorithm (GA-PLS). FLS analysis (1-16 μg/mL) was performed using the D0 method at 478 nm; then, the application of the ratio subtraction method (RSM) allowed the removal of interference caused by the FLS spectrum. From the resulting ratio spectra, LIG, XYL, and BZD can be efficiently determined by chemometrics. The calibration set was carefully selected at five concentration levels using a partial factorial training design, resulting in 25 mixtures with central levels of 160, 40, and 3 μg/mL for LIG, XYL, and BZD, respectively. Another 13 samples were applied to validate the predictive ability.

Results: The statistical parameters demonstrated exceptional recoveries and smaller prediction errors, confirming the experimental model's predictive power.

Conclusions: The proposed approach was effectively tested using newly FDA-approved LIG and FLS pharmaceutical preparation and aqueous humor. Additionally, it was effectively assessed for whiteness, greenness, and sustainability using five assessment tools.

Highlights: With its remarkable analytical performance, sustainability, affordability, simplicity, and cost-efficiency, the proposed strategy is an indispensable tool for quality control and in situ analysis in little-equipped laboratories, increasing the proposed approach's surveillance ability.

结合单变量和化学计量技术的绿白综合分析策略,用于定量最近批准的多种药物眼药水和潜在的致癌杂质:应用于水介质。
背景:药物杂质现已被视为全球药品生产的主要威胁,也是全球污染问题的主要部分,尤其是致癌杂质:我们首次提出了基于单变量和多变量相结合的分光光度法杂质分析方法,用于估计木质素(LIG)和荧光素(FLS)及其致癌杂质:2,6-二甲基甲酰胺(XYL)和苯-1,3-二醇(BZD):数据处理策略取决于采用五种经济、准确、选择性强且灵敏的方法来克服未分辨带。采用的方法包括直接紫外单变量分光光度分析法(D0)和四种多元化学计量法,包括经典最小二乘法(CLS)、主成分回归法(PCR)、偏最小二乘法(PLS)和遗传算法(GA-PLS)。FLS 分析(1-16 μg/mL)是在 478 纳米波长下使用 D0 方法进行的;然后,应用比值减法(RSM)可以去除 FLS 光谱造成的干扰。根据得到的比值光谱,可以通过化学计量学有效地确定 LIG、XYL 和 BZD。通过部分因子训练设计,在五个浓度水平上仔细选择了校准集,最终得到了 25 种混合物,其 LIG、XYL 和 BZD 的中心浓度水平分别为 160、40 和 3 μg/mL。另外 13 个样本用于验证预测能力:统计参数显示了优异的回收率和较小的预测误差,证实了实验模型的预测能力:结论:利用新近获得 FDA 批准的 LIG 和 FLS 药物制剂以及水样,对所提出的方法进行了有效测试。结论:使用新近获得 FDA 批准的 LIG 和 FLS 药物制剂以及水溶液对所提出的方法进行了有效测试,并使用五种评估工具对其白度、绿色度和可持续性进行了有效评估:亮点:所提出的策略具有卓越的分析性能、可持续性、可负担性、简便性和成本效益,是设备简陋的实验室进行质量控制和现场分析不可或缺的工具,提高了所提出方法的监控能力。
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来源期刊
Journal of AOAC International
Journal of AOAC International 医学-分析化学
CiteScore
3.10
自引率
12.50%
发文量
144
审稿时长
2.7 months
期刊介绍: The Journal of AOAC INTERNATIONAL publishes the latest in basic and applied research in analytical sciences related to foods, drugs, agriculture, the environment, and more. The Journal is the method researchers'' forum for exchanging information and keeping informed of new technology and techniques pertinent to regulatory agencies and regulated industries.
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