Multivariate Calibration

Martens, Harald; Næs, Tormod

doi:10.1007/978-94-017-1026-8_5

Cited by 799 publications

(1,322 citation statements)

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“…All partial least squares analyses [ 26 ] were carried out using an in -house program [ 18 ] , which runs under Microsoft Windows NT on an IBM -compatible PC. The first stage was preparation of the data.…”

Section: Partial Least Squaresmentioning

confidence: 99%

“…This was achieved by presenting the training set as two data matrices to the program: X, which contains the FT-IR spectra, and Y, which represents the percentage of degenerate to normal cells. The X -data were mean -centered and scaled in proportion to the reciprocal of their standard deviations [ 26 ] .…”

Section: Partial Least Squaresmentioning

confidence: 99%

“…The method of validation used was full cross -validation, via the leaveone -out method [ 26 ] . This technique sequentially omits one sample from the calibration; the partial least squares model is then redetermined on the basis of this reduced sample set.…”

Section: Partial Least Squaresmentioning

confidence: 99%

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Degeneration of solventogenic Clostridium strains monitored by Fourier transform infrared spectroscopy of bacterial cells

Schuster

Goodacre

Gapes

et al. 2001

Journal of Industrial Microbiology and Biotechnology

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Strain degeneration in solventogenic clostridia is a known problem in the technical acetone -butanol fermentation bioprocess, especially in the continuous process mode. Clostridial strain degeneration was studied by Fourier transform infrared ( FT -IR ) spectroscopy of the bacterial cells. Degenerative variant formation in two strains, Clostridium beijerinckii NCIMB 8052 and Clostridium species AA332, was detected spectroscopically. Colonies on solid media were sampled, or assayed directly in situ by IR microscopy. It has previously been shown that the distinctive acidogenic and solventogenic physiological phases of Clostridium acetobutylicum in liquid medium can be discriminated by FT -IR spectroscopy. This was confirmed here for C. beijerinckii NCIMB 8052. The proportion of degenerate cells in a mixed population in liquid medium could be quantified, as the spectral features change in different ways during the normal growth cycle of wild type organisms and degenerate variants in batch culture. This opens a new perspective for physiology -based process monitoring and control, especially of the continuous acetone -butanol fermentation.

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Section: Partial Least Squaresmentioning

confidence: 99%

Section: Partial Least Squaresmentioning

confidence: 99%

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Degeneration of solventogenic Clostridium strains monitored by Fourier transform infrared spectroscopy of bacterial cells

Schuster

Goodacre

Gapes

et al. 2001

Journal of Industrial Microbiology and Biotechnology

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show abstract

“…By using multivariate calibration techniques the problem of interferences is solved by combining the information from several wavelengths when predicting e.g. the fat content of the sample (Martens & Naes, 1989). After calibration, a routine analysis is easily performed by loading the ®nely ground sample into the sample holder, inserting it into the instrument, waiting approximately half a minute and recording the results.…”

Section: Introductionmentioning

confidence: 99%

Near infrared spectroscopy—a potentially useful method for rapid determination of fat and protein content in homogenized diets

et al. 2000

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Objective: To investigate the potential of near-infrared re¯ectance (NIR) spectroscopy as a rapid and nondestructive method to determine total fat and protein in mixed, homogenized and freeze-dried human diets. Design: 29 students collected duplicate portions of their diet for four consecutive days. In addition, a detailed food diary was kept. The duplicate portions were analysed for total protein and fat content both by traditional chemical analysis (Kjeldahl and Folch methods) and through the recently developed NIR spectroscopy method. In addition, traditional computerized estimation of nutrient composition was performed. Results: Plotting of the NIR-predicted fat content against the chemically analysed fat content gave a correlation coef®cient of 0.99. Plotting of the NIR-predicted protein content against the Kjeldahl-analysed protein gave a correlation coef®cient of 0.81. Conclusion: NIR-spectroscopy seems to be able to determine fat content in mixed, homogenized diets to a high degree of accuracy. In surveys involving duplicate portion sampling this will save time and money. The prediction accuracy for protein was less convincing, but acceptable depending on the need for accurate individual data.

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“…This condition implies that the experimental conditions used for the calibration set should mimic as much as possible the experimental conditions of the prediction experiment, inter alia, in terms of concentration and temperature ranges [20,21]. One approach consists in preparing calibration samples of various independent compositions and measuring the absorbance spectrum of each sample.…”

Section: List Of Symbolsmentioning

confidence: 99%

Extent-based kinetic identification using spectroscopic measurements and multivariate calibration

Billeter¹,

Srinivasan²,

Bonvin³

2013

Analytica Chimica Acta

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Multivariate Calibration

Cited by 799 publications

References 1 publication

Degeneration of solventogenic Clostridium strains monitored by Fourier transform infrared spectroscopy of bacterial cells

Degeneration of solventogenic Clostridium strains monitored by Fourier transform infrared spectroscopy of bacterial cells

Near infrared spectroscopy—a potentially useful method for rapid determination of fat and protein content in homogenized diets

Extent-based kinetic identification using spectroscopic measurements and multivariate calibration

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