Development of UV-Chemometric techniques for resolving the overlapped spectra of aspirin, caffeine and orphenadrine citrate in their combined pharmaceutical dosage form

IF 4.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY BMC Chemistry Pub Date : 2025-03-20 DOI:10.1186/s13065-025-01429-x
Sobhy M. El-Adl, Amr A. Mattar, Omar M. El-Abassy, Mahmoud M. Sebaiy
{"title":"Development of UV-Chemometric techniques for resolving the overlapped spectra of aspirin, caffeine and orphenadrine citrate in their combined pharmaceutical dosage form","authors":"Sobhy M. El-Adl,&nbsp;Amr A. Mattar,&nbsp;Omar M. El-Abassy,&nbsp;Mahmoud M. Sebaiy","doi":"10.1186/s13065-025-01429-x","DOIUrl":null,"url":null,"abstract":"<div><p>A UV-chemometric approach has been developed to analyze a ternary combination of aspirin, caffeine, and orphenadrine citrate without the need for previous separation. The method is easy, specific, accurate, and highly precise. The three medications were evaluated simultaneously utilizing CLS, PLS, and PCR, which were generated based on separate data sets that yielded superior findings. Regrettably, their accurate estimation could only be achieved using the PLS approach. In order to determine the prediction power of each chemometric approach, its validity has been tested using 8 synthetic mixes. The latent variable number varies across various models as the dataset changes. The comparison of various methodologies and the assessment of the predictive capacity of each set of data were done using the predicted residual error sum of squares (PRESS) and the root mean square error of prediction (RMSEP). The created approach was also used to statistically compare the performance of PLS in a dataset with zero absorption, as well as to compare the performance of the offered chemometric methods in various datasets. The environmental impact of the created approach was assessed to determine the overall ecological sustainability of the designed methodology. According to the new Blue Applicability Grade Index (BAGI) evaluation methodology, the suggested technique was also found to be practicable.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3000,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01429-x","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"BMC Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1186/s13065-025-01429-x","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

Abstract

A UV-chemometric approach has been developed to analyze a ternary combination of aspirin, caffeine, and orphenadrine citrate without the need for previous separation. The method is easy, specific, accurate, and highly precise. The three medications were evaluated simultaneously utilizing CLS, PLS, and PCR, which were generated based on separate data sets that yielded superior findings. Regrettably, their accurate estimation could only be achieved using the PLS approach. In order to determine the prediction power of each chemometric approach, its validity has been tested using 8 synthetic mixes. The latent variable number varies across various models as the dataset changes. The comparison of various methodologies and the assessment of the predictive capacity of each set of data were done using the predicted residual error sum of squares (PRESS) and the root mean square error of prediction (RMSEP). The created approach was also used to statistically compare the performance of PLS in a dataset with zero absorption, as well as to compare the performance of the offered chemometric methods in various datasets. The environmental impact of the created approach was assessed to determine the overall ecological sustainability of the designed methodology. According to the new Blue Applicability Grade Index (BAGI) evaluation methodology, the suggested technique was also found to be practicable.

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
建立阿司匹林、咖啡因和枸橼酸奥非那林复合剂型中重叠光谱的紫外化学测定技术
一种紫外化学计量方法已被开发用于分析阿司匹林、咖啡因和枸橼酸奥非那林的三元组合,而不需要事先分离。该方法简便、特异、准确、精密度高。同时使用CLS, PLS和PCR对这三种药物进行评估,这三种药物是基于不同的数据集产生的,这些数据集产生了更好的结果。遗憾的是,它们的准确估计只能使用PLS方法来实现。为了确定每种化学计量方法的预测能力,使用8种合成混合物对其有效性进行了测试。随着数据集的变化,不同模型的潜在变量数也会变化。使用预测残差平方和(PRESS)和预测均方根误差(RMSEP)对各种方法进行比较,并对每组数据的预测能力进行评估。所创建的方法还用于统计比较PLS在零吸收数据集中的性能,以及比较所提供的化学计量方法在各种数据集中的性能。评估了所创建方法的环境影响,以确定所设计方法的整体生态可持续性。根据新的蓝色适用性等级指数(BAGI)评价方法,建议的技术也被发现是可行的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
BMC Chemistry
BMC Chemistry Chemistry-General Chemistry
CiteScore
5.30
自引率
2.20%
发文量
92
审稿时长
27 weeks
期刊介绍: BMC Chemistry, formerly known as Chemistry Central Journal, is now part of the BMC series journals family. Chemistry Central Journal has served the chemistry community as a trusted open access resource for more than 10 years – and we are delighted to announce the next step on its journey. In January 2019 the journal has been renamed BMC Chemistry and now strengthens the BMC series footprint in the physical sciences by publishing quality articles and by pushing the boundaries of open chemistry.
期刊最新文献
Efficient adsorption of fast green dye by chitosan modified with cyanoguanidine: statistical modelling, kinetic, and isotherm studies. Halloysite nanotube-grafted reduced graphene oxide for sensitive electrochemical sensing of niclosamide in food, environmental and biological matrices. Comprehensive experimental and theoretical investigations of novel triazine Schiff base metal complexes: spectroscopic, electrochemical, DNA interaction, in vitro cytotoxicity, antimicrobial, and in silico studies. Wastewater modeling of Cr (VI) adsorption by sulfonated lignin of pine cones: equilibrium, kinetics, and isotherm study. Sustainable chromatographic assays of a novel antifungal combination for keratomycosis.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1