We present automated data analysis of high-throughput HPLC-DAD data using Multivariate Curve Resolution. This technique provides spectra and elution profiles of all UV-Vis active compounds present in the mixture. The specifics of using this method in non-interactive fashion are discussed. A case study on the stability of isoprenoids in grape extracts under two different experimental regimes serves to illustrate the potential of the method: quantitative results clearly show that the addition of triethylamine is beneficial in that carotenoid, chlorophyll and tocopherol compounds are much more stable and in this way can be kept up to at least thirty days without any sign of degradation.

Wehrens, H.R.M.J.; Carvalho, E.; Masuero, D.; De Juan, A.; Martens, S. (2013). High-throughput carotenoid profiling using multivariate curve resolution. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405 (15): 5075-5086. doi: 10.1007/s00216-012-6555-9 handle: http://hdl.handle.net/10449/21685

High-throughput carotenoid profiling using multivariate curve resolution

Wehrens, Herman Ronald Maria Johan;Carvalho, Elisabete;Masuero, Domenico;Martens, Stefan
2013-01-01

Abstract

We present automated data analysis of high-throughput HPLC-DAD data using Multivariate Curve Resolution. This technique provides spectra and elution profiles of all UV-Vis active compounds present in the mixture. The specifics of using this method in non-interactive fashion are discussed. A case study on the stability of isoprenoids in grape extracts under two different experimental regimes serves to illustrate the potential of the method: quantitative results clearly show that the addition of triethylamine is beneficial in that carotenoid, chlorophyll and tocopherol compounds are much more stable and in this way can be kept up to at least thirty days without any sign of degradation.
Multivariate data analysis
HPLC-DAD
Metabolomics
Grapes
Isoprenoids
Settore CHIM/01 - CHIMICA ANALITICA
2013
Wehrens, H.R.M.J.; Carvalho, E.; Masuero, D.; De Juan, A.; Martens, S. (2013). High-throughput carotenoid profiling using multivariate curve resolution. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405 (15): 5075-5086. doi: 10.1007/s00216-012-6555-9 handle: http://hdl.handle.net/10449/21685
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