Selection of the NIR Region for a Regression Model of the Ethanol Concentration in Fermentation Process by an Online NIR and Mid-IR Dual-Region Spectrometer and 2D Heterospectral Correlation Spectroscopy

Nishii, Takashi; Genkawa, Takuma; Watari, Masahiro; Ozaki, Yukihiro

doi:10.2116/analsci.28.1165

Cited by 23 publications

(17 citation statements)

References 20 publications

(25 reference statements)

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“…The bands at 5919 cm −1 and 5722 cm −1 increased, corresponding to the -CH first overtone of ethanol. 20 The band at 8442 cm −1 , which may correspond to the -CH frequency (2g + 2d) of ethanol or acid, and the band at 7108 cm −1 , corresponding to free -OH first overtone of ethanol, 21 both increased. In addition, the band at 6821 cm −1 , which may correspond to the -CH frequency…”

Section: Resultsmentioning

confidence: 97%

The Application of near Infrared Spectroscopy in Process Monitoring of Solid-State Fermentation of Sweet Sorghum Stalks

Fan

Jiang

et al. 2015

Journal of Near Infrared Spectroscopy

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Multiple samples (117) of sweet sorghum stalk particles were analysed qualitatively and quantitatively during solid-state fermentation using near infrared spectroscopy and chemometrics methods. The study indicated that the samples could be identified to the lag phase, exponential phase or stationary phase of the ethanol fermentation process by discriminant analysis of a principal component analysis (PCA) model. The first principal component score of PCA could be used to predict the extent of reaction, regardless of the value of parameters, such as pH value and sugar, ethanol and water content. The r 2 values of multivariate regression models for mass fractions of sugar, alcohol and water, and pH were 0.93, 0.94, 0.87 and 0.95, respectively. The root mean standard errors of prediction for mass fractions of sugar, alcohol and water, and pH were 0.013, 0.006, 0.008 w w −1 and 0.15, respectively. The partial least squares regression of the value of pH had the best fit of the four parameters. Near infrared spectroscopy could be used successfully in process monitoring of solid-state fermentation of sweet sorghum stalks.

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Section: Resultsmentioning

confidence: 97%

The Application of near Infrared Spectroscopy in Process Monitoring of Solid-State Fermentation of Sweet Sorghum Stalks

Fan

Jiang

et al. 2015

Journal of Near Infrared Spectroscopy

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“…2, publication quality figures are plotted by supporting the matplotlib 135 plotting library for Python. This method has been applied to the analysis of the ethanol fermentation process, 136,137 hydration structure in cellulose, 81 phase separation behavior of polymer solution, 138 etc.…”

Section: Othersmentioning

confidence: 99%

Chemometrics and Related Fields in Python

Morita

2019

ANAL. SCI.

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The Python programing language is becoming a promising tool for data analysis in various fields. However, little attention has been paid to using Python in the field of analytical chemistry, though recent advances in instrumental analysis require robust and reliable data analysis. In order to overcome the difficulty in accurate analysis, multivariate analysis, or chemometrics, has been widely applied to various kinds of data obtained by instrumental analysis. In the present work, the potential usefulness of Python for chemometrics and related fields in chemistry is reviewed. Many practical tools for chemometrics, e.g., principal component analysis (PCA), partial least squares (PLS), support vector machine (SVM), etc., are included in the scikit-learn machine learning (ML) library for Python. Other useful libraries such as pyMCR for multivariate curve resolution (MCR), 2Dpy for two-dimensional correlation spectroscopy (2D-COS), etc. can be obtained from GitHub. For these reasons, a computational environment for chemometrics is easily constructed in Python.

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“…Later, attempts were made to use Raman spectroscopy [68]. Recently, hetero-spectral correlation NIR-IR spectroscopy was applied [69]. The fermentation described in the current report was conducted as a continuous process feeding glucose solution at a constant flow into a 2 L fermenter.…”

Section: Monitoring Of Ethanol Production From Immobilized Yeast Usinmentioning

confidence: 99%

Homo- and Hetero-Covariance NMR Spectroscopy and Applications to Process Analytical Technology

Jaeger¹,

Legner²

2017

Spectroscopic Analyses - Developments and Applications

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Covariance processing of data and spectra has established itself among the computerbased NMR spectroscopy methodologies to increase sensitivity and resolution and to facilitate spectral analysis. While homo-correlations yield two-dimensional (2D) diagonally symmetric or antisymmetric spectra, hetero-covariance transformations allow to transfer NMR chemical shift information to other spectroscopic techniques, such as near infra-red or Raman. This is visualized as a 2D correlation map, provided a common indirect or perturbation domain, such as time, concentration change, and pressure. Covariance spectra can be generated as synchronous or asynchronous maps. The synchronous map relates the signals of species, e.g., educts and products. The asynchronous spectrum allows to derive the sequential order in which such species occur relative to each other. After a theoretical introduction into covariance NMR, its application in process analytical technology is discussed for wine fermentation, a radical polymerization reaction, a continuous process ethanol production using immobilized yeast, and a Knoevenagel condensation in a microreaction system. The covariance approach is extended toward two perturbation variables and quantitative relationships through PARAFAC kernel analysis and is illustrated for the preparation of polylactic acid nanocomposites. The advantages and added values of using synchronous and asynchronous spectra to gain process knowledge and control are demonstrated.

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Selection of the NIR Region for a Regression Model of the Ethanol Concentration in Fermentation Process by an Online NIR and Mid-IR Dual-Region Spectrometer and 2D Heterospectral Correlation Spectroscopy

Cited by 23 publications

References 20 publications

The Application of near Infrared Spectroscopy in Process Monitoring of Solid-State Fermentation of Sweet Sorghum Stalks

The Application of near Infrared Spectroscopy in Process Monitoring of Solid-State Fermentation of Sweet Sorghum Stalks

Chemometrics and Related Fields in Python

Homo- and Hetero-Covariance NMR Spectroscopy and Applications to Process Analytical Technology

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