Chemometric modelling with two-dimensional fluorescence data for Claviceps purpurea bioprocess characterization

Boehl, Daniela; Solle, Dörte; Hitzmann, Bernd; Scheper, Thomas

doi:10.1016/s0168-1656(03)00189-5

Cited by 59 publications

(38 citation statements)

References 5 publications

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“…In addition to the PLS weight plots, the sensitivity spectrum (Boehl et al, 2003) is another method which allows extraction of qualitative information in the model by analysis of the wavelength pairs that are relevant to the predicted variable (i.e., b-LG aggregation). The sensitivity spectrum consisting of the scaled regression coefficients for every wavelength combination in the model are shown in Figure 9.…”

Section: Pls Regressionmentioning

confidence: 99%

Fluorescence spectroscopy as a tool for monitoring solubility and aggregation behavior of β‐lactoglobulin after heat treatment

Elshereef

Budman

Moresoli

et al. 2006

Biotech & Bioengineering

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Denaturation and aggregation of whey proteins are of interest to the food and pharmaceutical industry due to the importance of final structure in functionality, impact on food texture, and the chemical stability of the final product. In this study, we demonstrate the potential of fluorescence spectrometry combined with multivariate chemometric methods for quantifying solubility and aggregation behavior of beta-lactoglobulin (beta-LG); a major whey protein and a frequent food ingredient. Heat-induced aggregation of beta-LG was studied under different conditions including pH, temperature and heating durations. Results showed very good agreement between the fluorescence-based predictions and measurements obtained by HPLC and gravimetric analysis regardless of the conditions. Standard normal variate (SNV), a signal preprocessing and filtering tool, was found to enhance the predictive accuracy and robustness of the fluorescence-based model.

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Section: Pls Regressionmentioning

confidence: 99%

Fluorescence spectroscopy as a tool for monitoring solubility and aggregation behavior of β‐lactoglobulin after heat treatment

Elshereef

Budman

Moresoli

et al. 2006

Biotech & Bioengineering

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“…In such cases, multivariate chemometric techniques can be used to analyze the whole spectra. Principal components analysis (PCA) is normally employed to compress noisy and correlated data sets with minimal loss of information (Boehl et al, 2003;Surribas et al, 2006a;Haack et al, 2007;Rhee and Kang, 2007;Wolf et al, 2007). Partial least squares (PLS) regression appears to be the most popular chemometric method for calibrating 2D fluorescence maps with off-line bioprocess variables such as biomass, substrates and products of interest (Boehl et al, 2003;Lantz et al, 2006;Surribas et al, 2006b;Haack et al, 2007;Rhee and Kang, 2007).…”

Section: Introductionmentioning

confidence: 99%

“…Principal components analysis (PCA) is normally employed to compress noisy and correlated data sets with minimal loss of information (Boehl et al, 2003;Surribas et al, 2006a;Haack et al, 2007;Rhee and Kang, 2007;Wolf et al, 2007). Partial least squares (PLS) regression appears to be the most popular chemometric method for calibrating 2D fluorescence maps with off-line bioprocess variables such as biomass, substrates and products of interest (Boehl et al, 2003;Lantz et al, 2006;Surribas et al, 2006b;Haack et al, 2007;Rhee and Kang, 2007). Due to the inherently nonlinear nature of biological processes, some authors have used artificial neural networks (ANN) (Wolf et al, 2001;Lee et al, 2005) and nonlinear PLS as calibration methods (Lee et al, 2006).…”

Section: Introductionmentioning

confidence: 99%

In situ 2D fluorometry and chemometric monitoring of mammalian cell cultures

Teixeira

Portugal

Carinhas

et al. 2008

Biotech & Bioengineering

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The main objective of the present study was to investigate the use of in situ 2D fluorometry for monitoring key bioprocess variables in mammalian cell cultures, namely the concentration of viable cells and the concentration of recombinant proteins. All studies were conducted using a recombinant Baby Hamster Kidney (BHK) cell line expressing a fusion glycoprotein IgG1-IL2 cultured in batch and fed-batch modes. It was observed that the intensity of fluorescence signals in the excitation/emission wavelength range of amino acids, vitamins and NAD(P)H changed along culture time, although the dynamics of single fluorophors could not be correlated with the dynamics of the target state variables. Therefore, multivariate chemometric modeling was adopted as a calibration methodology. 2D fluorometry produced large volumes of redundant spectral data, which were first filtered by principal components analysis (PCA). Then, a partial least squares (PLS) regression was applied to correlate the reduced fluorescence maps with the target state variables. Two validation strategies were used to evaluate the predictive capacity of the developed PLS models. Accurate estimations of viable cells density (r(2) = 0.95; 99.2% of variance captured in the training set; r(2) = 0.91; 97.7% of variance captured in the validation set) and of glycoprotein concentration (r(2) = 0.99 and 99.7% of variance captured in the training set; r(2) = 0.99 and 99.3% of variance captured in the validation set) were obtained over a wide range of reactor operation conditions. The results presented herein confirm that 2D fluorometry constitutes a reliable methodology for on-line monitoring of viable cells and recombinant protein concentrations in mammalian cell cultures.

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“…spectroscopy have been highlighted in many recent studies (Boehl et al, 2003;Hantelmann et al, 2006;Ganzlin et al, 2007;Rhee and Kang, 2007;Ödman et al, 2009;Jain et al, 2011;Bogomolov et al, 2011;Rossi et al, 2012). In this technique, the fluorescence emission of metabolites present in the cultivation medium is monitored when they are excited with UV-Visible radiation in a specific wavelength range.…”

Section: Brazilian Journal Of Chemical Engineeringmentioning

confidence: 99%

Evaluation of wavelength selection methods for 2D fluorescence spectra applied to bioprocesses characterization

Masiero

Trierweiler

Farenzena

et al. 2013

Braz. J. Chem. Eng.

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-In biotechnological processes, the productivity and costs depend strongly on the control of the operating conditions. For this reason, sensors that allow the monitoring of variables of interest become quite important. 2D fluorescence spectroscopy is one promising option among those that are being applied for this purpose. In the present work, three methods were evaluated to select the best excitation/emission wavelength pairs of 2D fluorescence spectra to infer product, substrate and cellular concentrations throughout a fermentation using a multiple linear chemometric model: Exhaustive Search (ES), Stepwise Regression and Genetic Algorithm (GA). The Stepwise Regression presented unsatisfying results, while GA always led to good R 2 values in short computational times. However, for the proposed problem, the ES showed the best performance, finding the global optimum in a few minutes.

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Chemometric modelling with two-dimensional fluorescence data for Claviceps purpurea bioprocess characterization

Cited by 59 publications

References 5 publications

Fluorescence spectroscopy as a tool for monitoring solubility and aggregation behavior of β‐lactoglobulin after heat treatment

Fluorescence spectroscopy as a tool for monitoring solubility and aggregation behavior of β‐lactoglobulin after heat treatment

In situ 2D fluorometry and chemometric monitoring of mammalian cell cultures

Evaluation of wavelength selection methods for 2D fluorescence spectra applied to bioprocesses characterization

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