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dc.contributor.author
Koch, Cosima
dc.contributor.author
Posch, Andreas E.
dc.contributor.author
Goicoechea, Hector Casimiro
dc.contributor.author
Herwig, Christoph
dc.contributor.author
Lendl, Bernhard
dc.date.available
2017-04-19T14:10:04Z
dc.date.issued
2014-01
dc.identifier.citation
Koch, Cosima; Posch, Andreas E.; Goicoechea, Hector Casimiro; Herwig, Christoph; Lendl, Bernhard; Multi-analyte quantification in bioprocesses by FTIR spectroscopy using Partial Least Squares Regression and Multivariate Curve Resolution; Elsevier Science; Analytica Chimica Acta; 807; 1-2014; 103-110
dc.identifier.issn
0003-2670
dc.identifier.uri
http://hdl.handle.net/11336/15436
dc.description.abstract
This paper presents the quantification of Penicillin V and phenoxyacetic acid, a precursor, inline during Pencillium chrysogenum fermentations by FTIR spectroscopy and partial least squares (PLS) regression and multivariate curve resolution – alternating least squares (MCR-ALS). First, the applicability of an attenuated total reflection FTIR fiber optic probe was assessed offline by measuring standards of the analytes of interest and investigating matrix effects of the fermentation broth. Then measurements were performed inline during four fed-batch fermentations with online HPLC for the determination of Penicillin V and phenoxyacetic acid as reference analysis. PLS and MCR-ALS models were built using these data and validated by comparison of single analyte spectra with the selectivity ratio of the PLS models and the extracted spectral traces of the MCR-ALS models, respectively. The achieved root mean square errors of cross-validation for the PLS regressions were 0.22 g L−1 for Penicillin V and 0.32 g L−1 for phenoxyacetic acid and the root mean square errors of prediction for MCR-ALS were 0.23 g L−1 for Penicillin V and 0.15 g L−1 for phenoxyacetic acid. A general work-flow for building and assessing chemometric regression models for the quantification of multiple analytes in bioprocesses by FTIR spectroscopy is given.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
Inline Bioprocess Monitoring
dc.subject
Ftir Spectroscopy
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Partial Least Squares Regression
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Multivariate Curve Resolution
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Chemometrics
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P. Chrysogenum
dc.subject.classification
Química Analítica
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Multi-analyte quantification in bioprocesses by FTIR spectroscopy using Partial Least Squares Regression and Multivariate Curve Resolution
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2017-04-17T19:26:38Z
dc.journal.volume
807
dc.journal.pagination
103-110
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Koch, Cosima. Vienna University of Technology. Institute of Chemical Technologies and Analytics; Austria
dc.description.fil
Fil: Posch, Andreas E.. Vienna University of Technology. Institute of
Chemical Engineering. Research Area Biochemical Engineering. Christian Doppler Laboratory for Mechanistic and Physiological Methods for Improved Bioprocesses; Austria
dc.description.fil
Fil: Goicoechea, Hector Casimiro. Universidad Nacional del Litoral. Laboratorio de Desarrollo Analítico y Quimiometría; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe; Argentina
dc.description.fil
Fil: Herwig, Christoph. Vienna University of Technology. Institute of
Chemical Engineering. Research Area Biochemical Engineering. Christian Doppler Laboratory for Mechanistic and Physiological Methods for Improved Bioprocesses; Austria
dc.description.fil
Fil: Lendl, Bernhard. Vienna University of Technology. Institute of Chemical Technologies and Analytics; Austria
dc.journal.title
Analytica Chimica Acta
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://doi.org/10.1016/j.aca.2013.10.042
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0003267013013858
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