Baseline Correction for HPLC Chromatograms by Using Free Open-Source Software

被引:1
|
作者
Gkountanas, Kostas [1 ,2 ]
Dagla, Ioanna [3 ]
Gikas, Evangelos [4 ]
Malenovic, Andelija [5 ]
Dotsikas, Yannis [1 ]
机构
[1] Natl & Kapodistrian Univ Athens, Fac Pharm, Lab Pharmaceut Anal, GR-15771 Athens, Greece
[2] 401 Mil Hosp Athens, Leof Panagioti Kanellopoulou, GR-11525 Athens, Greece
[3] Goulandris Nat Hist Museum, GAIA Res Ctr, Bioanalyt Dept, GR-14562 Kifisia, Greece
[4] Natl & Kapodistrian Univ Athens, Sch Chem, Lab Analyt Chem, GR-15771 Athens, Greece
[5] Univ Belgrade, Fac Pharm, Dept Drug Anal, Vojvode Stepe 450, Belgrade 11152, Serbia
来源
ANALYTICA | 2023年 / 4卷 / 01期
关键词
data processing; peak integration; baseline correction; asymmetry least squares algorithm; experimental design; robustness testing; TRANSFORM;
D O I
10.3390/analytica4010005
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
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.
引用
收藏
页码:45 / 53
页数:9
相关论文
共 50 条
  • [1] Optimal Baseline Correction for Multivariate Calibration Using Open-Source Software
    Liland, Kristian Hovde
    Almoy, Trygve
    Mevik, Bjorn-Helge
    [J]. AMERICAN LABORATORY, 2011, 43 (04) : 13 - 16
  • [2] Opportunity Costs in Free Open-Source Software
    Karus, Siim
    [J]. OPEN SOURCE SYSTEMS, OSS 2019, 2019, 556 : 139 - 150
  • [3] The Free Software Alternative: Freeware, Open-source software, and Libraries
    Corbly, James E.
    [J]. INFORMATION TECHNOLOGY AND LIBRARIES, 2014, 33 (03) : 65 - 75
  • [4] TraceTrack, an open-source software for batch processing, alignment and visualization of sanger sequencing chromatograms
    Brazdilova, Kveta
    Prihoda, David
    Ton, Quynh
    Klock, Heath
    Bitton, Danny A.
    [J]. BIOINFORMATICS ADVANCES, 2023, 3 (01):
  • [5] Osirix: Free and open-source software for medical imagery
    Jalbert, F.
    Paoli, J. R.
    [J]. REVUE DE STOMATOLOGIE ET DE CHIRURGIE MAXILLO-FACIALE, 2008, 109 (01): : 53 - 55
  • [6] An overview about Geographic free and open-source software
    Dabove, Paolo
    [J]. GEAM-GEOINGEGNERIA AMBIENTALE E MINERARIA-GEAM-GEOENGINEERING ENVIRONMENT AND MINING, 2019, (157): : 11 - 14
  • [7] STRATEGIC FORKING IN THE DEVELOPMENT OF FREE/OPEN-SOURCE SOFTWARE
    Konat, Grzegorz
    [J]. GOSPODARKA NARODOWA, 2008, (10): : 23 - 43
  • [8] Sharing experiments using open-source software
    Nelson, Adam
    Menzies, Tim
    Gay, Gregory
    [J]. SOFTWARE-PRACTICE & EXPERIENCE, 2011, 41 (03): : 283 - 305
  • [9] Layout Verification Using Open-Source Software
    Krinke, Andreas
    Fischbach, Robert
    Lienig, Jens
    [J]. PROCEEDINGS OF THE 2024 INTERNATIONAL SYMPOSIUM ON PHYSICAL DESIGN, ISPD 2024, 2024, : 137 - 142
  • [10] Defining software evolvability from a free/open-source software perspective
    Deprez, Jean-Christophe
    Monfils, Frederic Fleurial
    Ciolkowski, Marcus
    Soto, Martin
    [J]. THIRD INTERNATIONAL IEEE WORKSHOP ON SOFTWARE EVOLVABILITY, PROCEEDINGS, 2007, : 29 - +