Change search
ReferencesLink to record
Permanent link

Direct link
Parallel factor analysis of HPLC-DAD data for binary mixtures of lidocaine and prilocaine with different levels of separation
Stockholm University, Faculty of Science, Department of Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Analytical Chemistry.
2004 (English)In: Analytica Chimica Acta, ISSN 0003-2670, E-ISSN 1873-4324, Vol. 514, no 2, 203-209 p.Article in journal (Refereed) Published
Abstract [en]

A set of 17 samples containing a constant amount of lidocaine (667 muM) and a decreasing amount of prilocaine (667-0.3 muM) was analysed by LC-DAD at three different levels of separation, followed by parallel factor analysis (PARAFAC) of the data obtained. In Case 1 no column was connected, the chromatographic resolution (R-s) therefore being zero, while Cases 2 and 3 had partly separated peaks (R-s = 0.7 and 1.0). The results showed that in Case 1, analysed without any separation, the PARAFAC decomposition with a model consisting of two components gave a good estimate of the spectral and concentration profiles of the two compounds. In Cases 2 and 3, the use of PARAFAC models with two components resolved the underlying chromatographic, spectral and concentration profiles. The loadings related to the concentration profile of prilocaine were used for regression and prediction of the prilocaine content. The results showed that prediction of prilocaine content was possible with satisfactory prediction (RMSEP < 0.01). This study shows that PARAFAC is a powerful technique for resolving partly separated peaks into their pure chromatographic, spectral and concentration profiles, even with completely overlapping spectra and the absence or very low levels of separation.

Place, publisher, year, edition, pages
2004. Vol. 514, no 2, 203-209 p.
Keyword [en]
PARAFAC; HPLC-DAD; binary mixtures; lidocaine; prilocaine; partial separation
URN: urn:nbn:se:su:diva-22778DOI: 10.1016/j.aca.2004.03.062OAI: diva2:189423
Part of urn:nbn:se:su:diva-110Available from: 2004-04-22 Created: 2004-04-22 Last updated: 2010-08-03Bibliographically approved
In thesis
1. Multivariate spectroscopic methods for the analysis of solutions
Open this publication in new window or tab >>Multivariate spectroscopic methods for the analysis of solutions
2004 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

In this thesis some multivariate spectroscopic methods for the analysis of solutions are proposed. Spectroscopy and multivariate data analysis form a powerful combination for obtaining both quantitative and qualitative information and it is shown how spectroscopic techniques in combination with chemometric data evaluation can be used to obtain rapid, simple and efficient analytical methods. These spectroscopic methods consisting of spectroscopic analysis, a high level of automation and chemometric data evaluation can lead to analytical methods with a high analytical capacity, and for these methods, the term high-capacity analysis (HCA) is suggested. It is further shown how chemometric evaluation of the multivariate data in chromatographic analyses decreases the need for baseline separation.

The thesis is based on six papers and the chemometric tools used are experimental design, principal component analysis (PCA), soft independent modelling of class analogy (SIMCA), partial least squares regression (PLS) and parallel factor analysis (PARAFAC). The analytical techniques utilised are scanning ultraviolet-visible (UV-Vis) spectroscopy, diode array detection (DAD) used in non-column chromatographic diode array UV spectroscopy, high-performance liquid chromatography with diode array detection (HPLC-DAD) and fluorescence spectroscopy. The methods proposed are exemplified in the analysis of pharmaceutical solutions and serum proteins.

In Paper I a method is proposed for the determination of the content and identity of the active compound in pharmaceutical solutions by means of UV-Vis spectroscopy, orthogonal signal correction and multivariate calibration with PLS and SIMCA classification. Paper II proposes a new method for the rapid determination of pharmaceutical solutions by the use of non-column chromatographic diode array UV spectroscopy, i.e. a conventional HPLC-DAD system without any chromatographic column connected. In Paper III an investigation is made of the ability of a control sample, of known content and identity to diagnose and correct errors in multivariate predictions something that together with use of multivariate residuals can make it possible to use the same calibration model over time. In Paper IV a method is proposed for simultaneous determination of serum proteins with fluorescence spectroscopy and multivariate calibration. Paper V proposes a method for the determination of chromatographic peak purity by means of PCA of HPLC-DAD data. In Paper VI PARAFAC is applied for the decomposition of DAD data of some partially separated peaks into the pure chromatographic, spectral and concentration profiles.

Place, publisher, year, edition, pages
Stockholm: Institutionen för analytisk kemi, 2004. 73 p.
Chemometrics, UV-Vis spectroscopy, Multivariate calibration, Lidocaine, Identity, Content, PLS, SIMCA, Non-column, Diode array UV spectroscopy, DAD, Control sample, High Capacity Analysis (HCA), Fluorescence spectroscopy, Albumin, Immunoglobulin G, HPLC-DAD, Prilocaine, Peak purity determination, PCA, PARAFAC, Partial separation, Curve resolution
National Category
Analytical Chemistry
urn:nbn:se:su:diva-110 (URN)91-7265-789-8 (ISBN)
Public defence
2004-05-14, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 12 A, Stockholm, 13:15
Available from: 2004-04-22 Created: 2004-04-22Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Jacobsson, Sven P.
By organisation
Department of Analytical Chemistry
In the same journal
Analytica Chimica Acta

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 100 hits
ReferencesLink to record
Permanent link

Direct link