Abdelazim Ahmed H, Ramzy Sherif
Pharmaceutical Analytical Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt.
Pharmaceutical Analytical Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt.
Spectrochim Acta A Mol Biomol Spectrosc. 2022 Sep 5;277:121292. doi: 10.1016/j.saa.2022.121292. Epub 2022 Apr 22.
Computational studies introduce an integral approach for finding greener methods through testing solvents for reactions and extractions. Lesinurad is a novel selective uric acid reabsorption inhibitor prescribed for the treatment of chronic gout. Computational calculations were achieved to choose the best acid dye used for sensitive visible spectrophotometric determination of lesinurad. The calculations were performed using Gaussian 03 software based on density functional theory method with B3LYP/6-31G(d) basis set. The obtained results revealed that bromophenol blue was preferred for lesinurad than other acid dyes based on the higher calculated interaction energy. The described method was based on the reaction of lesinurad with the theoretically selected acid dye bromophenol blue to form a yellow ion-pair complex. The absorption spectra showed maximum sharp peaks at 418 nm. Different factors affecting the reaction were optimized. Beer's law was demonstrated over the concentration range of 2-12 μg/mL lesinurad. The described reaction was utilized for the spectrophotometric determination of lesinurad in pure form and in the pharmaceutical preparation. The greenness of the described method was assessed using four different tools namely, the national environmental method index, the analytical eco-scale, the green analytical procedure index and the novel analytical greenness metric. The proposed method seemed to be superior to the reported HPLC method with respect to the metrics of the greenness characters.
计算研究引入了一种整体方法，通过测试用于反应和萃取的溶剂来寻找更环保的方法。雷西纳德是一种新型的选择性尿酸重吸收抑制剂，用于治疗慢性痛风。通过计算来选择用于灵敏可见分光光度法测定雷西纳德的最佳酸性染料。计算使用高斯03软件，基于密度泛函理论方法，采用B3LYP/6 - 31G(d)基组。所得结果表明，基于计算出的更高相互作用能，溴酚蓝比其他酸性染料更适合用于雷西纳德的测定。所描述的方法基于雷西纳德与理论上选择的酸性染料溴酚蓝反应形成黄色离子对络合物。吸收光谱在418 nm处显示出最大尖锐峰。对影响反应的不同因素进行了优化。在2 - 12 μg/mL雷西纳德的浓度范围内验证了比尔定律。所描述的反应被用于分光光度法测定纯形式和药物制剂中的雷西纳德。使用四种不同工具，即国家环境方法指数、分析生态规模、绿色分析程序指数和新型分析绿色度指标，对所描述方法的绿色度进行了评估。就绿色度特征指标而言，所提出的方法似乎优于已报道的高效液相色谱法。
