Quick method (FT-NIR) for the determination of oil and major fatty acids content in whole achenes of milk thistle (Silybum marianum (L.) Gaertn.)

BACKGROUND Calibration models for the Fourier transform–near infrared (FT‐NIR) instrument were developed for quick and non‐destructive determination of oil and fatty acids in whole achenes of milk thistle. Samples with a range of oil and fatty acid levels were collected and their transmittance spect...

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Bibliographic Details
Published in:Journal of the science of food and agriculture 2015-08, Vol.95 (11), p.2264-2270
Main Authors: Koláčková, Pavla, Růžičková, Gabriela, Gregor, Tomáš, Šišperová, Eliška
Format: Article
Language:English
Subjects:
Calibration
calibration model
Errors
Fatty acids
Fatty Acids - analysis
Flowers & plants
FT-NIR analysis
Mean square values
Milk
Oil
oil content
Plant Oils - analysis
Predictions
Regression analysis
Reproducibility of Results
Roots
Seeds
Seeds - chemistry
Silybum marianum
Silybum marianum - chemistry
Spectra
Spectroscopy, Near-Infrared - methods
Spectrum analysis
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Summary:BACKGROUND Calibration models for the Fourier transform–near infrared (FT‐NIR) instrument were developed for quick and non‐destructive determination of oil and fatty acids in whole achenes of milk thistle. Samples with a range of oil and fatty acid levels were collected and their transmittance spectra were obtained by the FT‐NIR instrument. Based on these spectra and data gained by the means of the reference method – Soxhlet extraction and gas chromatography (GC) – calibration models were created by means of partial least square (PLS) regression analysis. RESULTS Precision and accuracy of the calibration models was verified via the cross‐validation of validation samples whose spectra were not part of the calibration model and also according to the root mean square error of prediction (RMSEP), root mean square error of calibration (RMSEC), root mean square error of cross‐validation (RMSECV) and the validation coefficient of determination (R2). R2 for whole seeds were 0.96, 0.96, 0.83 and 0.67 and the RMSEP values were 0.76, 1.68, 1.24, 0.54 for oil, linoleic (C18:2), oleic (C18:1) and palmitic (C16:0) acids, respectively. CONCLUSION The calibration models are appropriate for the non‐destructive determination of oil and fatty acids levels in whole seeds of milk thistle. © 2014 Society of Chemical Industry
ISSN:0022-5142
1097-0010
DOI:10.1002/jsfa.6945