利用免费开源软件进行HPLC色谱图基线校正

Analytica Pub Date : 2023-02-08 DOI:10.3390/analytica4010005
Kostas Gkountanas, Ioanna Dagla, E. Gikas, A. Malenović, Y. Dotsikas
{"title":"利用免费开源软件进行HPLC色谱图基线校正","authors":"Kostas Gkountanas, Ioanna Dagla, E. Gikas, A. Malenović, Y. Dotsikas","doi":"10.3390/analytica4010005","DOIUrl":null,"url":null,"abstract":"Chromatograms with overlapping peaks and a baseline rise or upset constitute a great challenge for analysts. Such a case regarding the analysis of bupropion hydrochloride and its 5 impurities in a tablet formulation was used as a model. A baseline correction technique for liquid chromatography coupled with diode array detection is described by using Rstudio. The asymmetry least squares (ALS) algorithm was used as implemented in the “baseline” package, with parameters lambda and p set to 4 and 0.05, respectively. Peak deconvolution and subsequent integration and area quantification were accomplished through Fytik software. Chromatographic data from the validation procedure were utilized to demonstrate the feasibility of the suggested method and whether this correction affects the outcome of the validation study. Finally, a robustness study was carried out in order to shed light on the factors that have a more significant influence on the baseline correction, showing the reliability of this procedure through random changes in its parameters.","PeriodicalId":7829,"journal":{"name":"Analytica","volume":"4 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Baseline Correction for HPLC Chromatograms by Using Free Open-Source Software\",\"authors\":\"Kostas Gkountanas, Ioanna Dagla, E. Gikas, A. Malenović, Y. Dotsikas\",\"doi\":\"10.3390/analytica4010005\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Chromatograms with overlapping peaks and a baseline rise or upset constitute a great challenge for analysts. Such a case regarding the analysis of bupropion hydrochloride and its 5 impurities in a tablet formulation was used as a model. A baseline correction technique for liquid chromatography coupled with diode array detection is described by using Rstudio. The asymmetry least squares (ALS) algorithm was used as implemented in the “baseline” package, with parameters lambda and p set to 4 and 0.05, respectively. Peak deconvolution and subsequent integration and area quantification were accomplished through Fytik software. Chromatographic data from the validation procedure were utilized to demonstrate the feasibility of the suggested method and whether this correction affects the outcome of the validation study. Finally, a robustness study was carried out in order to shed light on the factors that have a more significant influence on the baseline correction, showing the reliability of this procedure through random changes in its parameters.\",\"PeriodicalId\":7829,\"journal\":{\"name\":\"Analytica\",\"volume\":\"4 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-02-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytica\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3390/analytica4010005\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytica","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/analytica4010005","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

具有重叠峰和基线上升或下降的色谱图对分析人员构成了巨大的挑战。以某片剂制剂中盐酸安非他酮及其5种杂质的分析为模型。利用Rstudio描述了一种液相色谱与二极管阵列检测相结合的基线校正技术。采用“基线”包中实现的非对称最小二乘(ALS)算法,参数lambda和p分别设置为4和0.05。通过Fytik软件完成峰反褶积及后续的积分和面积量化。验证程序的色谱数据被用来证明所建议方法的可行性,以及这种校正是否会影响验证研究的结果。最后,为了阐明对基线校正有更显著影响的因素,进行了稳健性研究,通过其参数的随机变化显示了该程序的可靠性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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
Baseline Correction for HPLC Chromatograms by Using Free Open-Source Software
Chromatograms with overlapping peaks and a baseline rise or upset constitute a great challenge for analysts. Such a case regarding the analysis of bupropion hydrochloride and its 5 impurities in a tablet formulation was used as a model. A baseline correction technique for liquid chromatography coupled with diode array detection is described by using Rstudio. The asymmetry least squares (ALS) algorithm was used as implemented in the “baseline” package, with parameters lambda and p set to 4 and 0.05, respectively. Peak deconvolution and subsequent integration and area quantification were accomplished through Fytik software. Chromatographic data from the validation procedure were utilized to demonstrate the feasibility of the suggested method and whether this correction affects the outcome of the validation study. Finally, a robustness study was carried out in order to shed light on the factors that have a more significant influence on the baseline correction, showing the reliability of this procedure through random changes in its parameters.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
1.80
自引率
0.00%
发文量
0
期刊最新文献
Enteromorpha compressa Macroalgal Biomass Nanoparticles as Eco-Friendly Biosorbents for the Efficient Removal of Harmful Metals from Aqueous Solutions Assessment of Lycopene Levels in Dried Watermelon Pomace: A Sustainable Approach to Waste Reduction and Nutrient Valorization Development of a Paper-Based Sol–Gel Vapochromic Sensor for the Detection of Vapor Cross-Contamination within a Closed Container Advances in the Use of Four Synthetic Antioxidants as Food Additives for Enhancing the Oxidative Stability of Refined Sunflower Oil (Helianthus annuus L.) Detection of Gene Doping Using Dried Blood Spots from a Mouse Model with rAAV9 Vector-Mediated Human Erythropoietin Expression as a Pilot Study
×
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:481959085
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