Pharmaceutical Analytical Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo 11751, Egypt.
Pharmaceutical Analytical Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo 11751, Egypt.
Spectrochim Acta A Mol Biomol Spectrosc. 2022 Jan 5;264:120334. doi: 10.1016/j.saa.2021.120334. Epub 2021 Aug 28.
Herein, a simple spectrophotometric method coupled with chemometric techniques i.e. partial least square (PLS) and genetic algorithm (GA) were utilized for the simultaneous determination of the vital ternary antiretroviral therapy dolutegravir (DTG), lamivudine (LMV), and abacavir (ACV) in their combined dosage form. Calibration (25 samples) and validation (13 samples) sets were prepared for these drugs at different concentrations via implementing partial factorial experimental designs. The zero order UV spectra of calibration and validation sets were measured and then subjected for further chemometric analysis. Partial least squares with/without variable selection procedures i.e. genetic algorithm (GA) were utilized to untangle the UV spectral overlapping of these mixtures. Cross-validation and external validation methods were applied to compare the performance of these chemometric techniques in terms of accuracy and predictive abilities. It was found that six latent variables were optimum for modelling DTG, four latent variables for modelling LMV and three latent variables for modelling ACV. Although, good recoveries with prompt predictive ability were attained by these PLS, GA-PLS showed better analytical performance owing to its capability to remove redundant variables i.e. the number of absorbance variables have been reduced to about 21-29%. The proposed chemometric methods can be reliably applied for simultaneous determination of DTG, LMV, and ACV in their laboratory prepared mixtures and pharmaceutical preparation posing these chemometric methods as worthy and substantial analytical tools in in-process testing and quality control analysis of many antiretroviral pharmaceutical preparations.
在此，我们采用了一种简单的分光光度法，并结合化学计量学技术，即偏最小二乘法（PLS）和遗传算法（GA），用于同时测定重要的三联抗逆转录病毒治疗药物多替拉韦（DTG）、拉米夫定（LMV）和阿巴卡韦（ACV）在其复方制剂中的含量。通过实施部分因子实验设计，我们在不同浓度下为这些药物制备了校准（25 个样本）和验证（13 个样本）集。测量了校准和验证集的零阶紫外光谱，然后对其进行了进一步的化学计量学分析。偏最小二乘法（包括/不包括变量选择程序，即遗传算法（GA））用于解决这些混合物的紫外光谱重叠问题。交叉验证和外部验证方法用于比较这些化学计量技术在准确性和预测能力方面的性能。结果发现，对于 DTG 的建模，需要 6 个潜在变量；对于 LMV 的建模，需要 4 个潜在变量；对于 ACV 的建模，需要 3 个潜在变量。虽然这些 PLS 方法可以获得良好的回收率和快速的预测能力，但 GA-PLS 显示出更好的分析性能，因为它能够去除冗余变量，即将吸光度变量的数量减少到约 21-29%。所提出的化学计量学方法可以可靠地应用于实验室制备的混合物和药物制剂中同时测定 DTG、LMV 和 ACV，这些化学计量学方法是许多抗逆转录病毒药物制剂中过程测试和质量控制分析的有价值和实质性的分析工具。
