TY  - JOUR
A1  - Vier, Dennis
A1  - Wambach, Stefan
A1  - Schünemann, Volker
A1  - Gollmer, Klaus-Uwe
T1  - Multivariate curve resolution and carbon balance constraint to unravel FTIR spectra from fed-batch fermentation samples
T2  - Bioengineering
N2  - The current work investigates the capability of a tailored multivariate curve resolution–alternating least squares (MCR-ALS) algorithm to analyse glucose, phosphate, ammonium and acetate dynamics simultaneously in an E. coli BL21 fed-batch fermentation. The high-cell-density (HCDC) process is monitored by ex situ online attenuated total reflection (ATR) Fourier transform infrared (FTIR) spectroscopy and several in situ online process sensors. This approach efficiently utilises automatically generated process data to reduce the time and cost consuming reference measurement effort for multivariate calibration. To determine metabolite concentrations with accuracies between ±0.19 and ±0.96·gL−l, the presented utilisation needs primarily — besides online sensor measurements — single FTIR measurements for each of the components of interest. The ambiguities in alternating least squares solutions for concentration estimation are reduced by the insertion of analytical process knowledge primarily in the form of elementary carbon mass balances. Thus, in this way, the established idea of mass balance constraints in MCR combines with the consistency check of measured data by carbon balances, as commonly applied in bioprocess engineering. The constraints are calculated based on online process data and theoretical assumptions. This increased calculation effort is able to replace, to a large extent, the need for manually conducted quantitative chemical analysis, leads to good estimations of concentration profiles and a better process understanding.
KW  - multivariate curve resolution
KW  - E. coli
KW  - fed-batch
KW  - fermentation
KW  - carbon mass balance constraint
KW  - soft constraints
KW  - alternating least squares
KW  - hybrid modelling
KW  - Fermentation
KW  - Fed-batch-Verfahren
KW  - Escherichia coli
KW  - FT-IR-Spektroskopie
KW  - ATR-Technik
KW  - Methode der kleinsten Quadrate
Y1  - 2017
UR  - https://hst.opus.hbz-nrw.de/frontdoor/index/index/docId/254
UR  - https://nbn-resolving.org/urn:nbn:de:hbz:tr5-2546
VL  - 4
IS  - 1
SP  - 1
EP  - 17
PB  - MDPI
ER  -