A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB

Jaumot, Joaquim; Gargallo, Raimundo; Juan, Anna de; Tauler, Romà

doi:10.1016/j.chemolab.2004.12.007

Cited by 1,050 publications

(850 citation statements)

References 21 publications

Supporting

Mentioning

835

Contrasting

Unclassified

Order By: Relevance

“…The baseline corrected mappings were then analyzed by multivariate curve analysis -alternating least squares (MCR-ALS) (Jaumot et al, 2005) with two components and with a non-negativity constraint on the spectra and concentration resolution.…”

Section: Particle Size Analysismentioning

confidence: 99%

Thorough characterization of a Self-Emulsifying Drug Delivery System with Raman hyperspectral imaging: A case study

Sacré

Netchacovitch

Bleye

et al. 2015

International Journal of Pharmaceutics

View full text Add to dashboard Cite

Newly developed drugs often have poor bioavailability due to their poor water solubility (BCS class 2 drugs). It is therefore necessary to develop new strategies to enhance their solubility and their activity, among which, Self-Emulsifying Drug Delivery System (SEDDS).The efficacy of the drugs contained in these preparations is mainly affected by the solid state and the particle size of the active pharmaceutical ingredient (API).However, it is quite complex, long and expensive to characterize these parameters with classical techniques such as X-Ray powder diffraction, differential scanning calorimetry or hot stage microscopy.The present article presents, through a case study, the advantages of the Raman hyperspectral imaging in the characterization of such formulations. Indeed, Raman chemical imaging may fully characterize SEDDS with single equipment and operator in a non-destructive way allowing the follow-up of the formulation during stability studies. Raman imaging is therefore a tool of choice in the PAT framework since it increases the knowledge of the formulation and the process. 2A quantitative multivariate method using Raman hyperspectral imaging to assay the API in the lipid based formulation has been developed and fully validated following the "total error" approach.

show abstract

Section: Particle Size Analysismentioning

confidence: 99%

Thorough characterization of a Self-Emulsifying Drug Delivery System with Raman hyperspectral imaging: A case study

Sacré

Netchacovitch

Bleye

et al. 2015

International Journal of Pharmaceutics

View full text Add to dashboard Cite

show abstract

“…Software for multi-way analysis is freely available on the Internet, in the form of 354 MATLAB codes [48], including several useful graphical user interfaces (GUI) [49][50][51][52]. 355 Table 2 shows a variety of free MATLAB programs for multi-way data processing.…”

mentioning

confidence: 99%

Second- and higher-order data generation and calibration: A tutorial

Escandar

Goicoechea

Peña

et al. 2014

Analytica Chimica Acta

158

View full text Add to dashboard Cite

“…Data analysis was performed in Matlab version 7.8 using routines developed in the laboratory and the MCR Toolbox provided by Romà Tauler 31 .…”

Section: Methodsmentioning

confidence: 99%

“…MCR-ALS is an algorithm that fits the requirements for image resolution [28][29][30][31] .This method decompose the unfolded hyperspectral data cube, the matrix X (xy × λ), into the product of two matrices, C (xy × K), containing the concentration profiles and S T (K × λ), containing the spectral profiles for each K component (Figure 1 and equation 1). In this case, xy is the spatial image dimensions and λ the number of spectral data points.…”

Section: Introductionmentioning

confidence: 99%

Characterization of sildenafil citrate tablets of different sources by near infrared chemical imaging and chemometric tools

Sabin

Lozano

Rocha

et al. 2013

Journal of Pharmaceutical and Biomedical Analysis

View full text Add to dashboard Cite

In this paper the chemical imaging technique by near infrared spectroscopy was applied for characterization of drug formulations in tablets of sildenafil citrate of different sources. This work is original and has never been published because it was used the sildenafil citrate, including in the commercial one called "Viagra".In the first stage of the study, a chemometric method based on multivariate curve resolution was properly chosen for the development of the distribution map of concentrations of the active ingredient in tablets. In the second step, the normalized histograms of images from active ingredient were classified by hierarchical cluster analysis. Finally it was possible to recognize the patterns of homogeneity of images in sildenafil citrate tablet. This concept can be used to improve the knowledge of industrial products and processes, as well as, for characterization of counterfeit drugs.

show abstract

A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB

Cited by 1,050 publications

References 21 publications

Thorough characterization of a Self-Emulsifying Drug Delivery System with Raman hyperspectral imaging: A case study

Thorough characterization of a Self-Emulsifying Drug Delivery System with Raman hyperspectral imaging: A case study

Second- and higher-order data generation and calibration: A tutorial

Characterization of sildenafil citrate tablets of different sources by near infrared chemical imaging and chemometric tools

Contact Info

Product

Resources

About