Enhancing near infrared spectroscopy models to identify omega-3 fish oils used in the nutraceutical industry by means of calibration range extension

2018 ◽  
Vol 26 (4) ◽  
pp. 245-261 ◽  
Author(s):  
Sanette van der Merwe ◽  
Marena Manley ◽  
Merrill Wicht

The high demand for omega-3 fish oil nutraceuticals (dietary supplements) is due to the numerous health benefits contributed by the polyunsaturated fatty acids. The nutraceutical industry is required to follow good manufacturing practice standards in order to ensure label claims and prevent adulteration. It is vital that the quality control procedures will be able to detect adulterated products. It is thus necessary to ensure that the analytical techniques are adequate by using validated methods. The qualification or identification of natural fish oils is a difficult task due to overlapping concentration ranges of polyunsaturated fatty acids and other similar properties. Gas chromatography is the prescribed technique in the nutraceutical industry for analysis of omega-3 fatty acids, but it is time-consuming and costly. Near infrared spectroscopy is a rapid and cost-effective technique which can replace the prescribed method if it is proven to be equivalent, through validation, to the criteria as prescribed by the pharmacopoeias and other industry guidelines. In this study, near infrared spectroscopy in combination with chemometrics was considered as an alternative method to gas chromatography to identify various commercial fish oils and to quantify the polyunsaturated fatty acids. Identification methods were developed for nine commercial omega-3 fish oils by using spectral libraries. Quantitative near infrared methods were developed for arachidonic acid, docosahexaenoic acid and eicosapentaenoic acid in fish oils expressed as mg.g−1 as well as % area using partial least squares regression and independent validation by superimposing datasets with mutual properties. Based on the statistics in terms of standard error of calibration, R2, standard error of prediction and r of the polyunsaturated fatty acid models, the near infrared method was equivalent to the prescribed gas chromatography methods, and precision results obtained were also within the prescribed criteria. Near infrared spectroscopy and chemometrics can be used for conclusive identification and quantification of omega-3 fish oils, thereby minimizing the risk of adulteration. The method also complied with the prescribed pharmaceutical method validation criteria, and therefore was proven as an alternative method to gas chromatography for the nutraceutical industry.

Author(s):  
Iris Lobos-Ortega ◽  
Miriam Hernández-Jiménez ◽  
María Inmaculada González-Martín ◽  
José Miguel Hernández-Hierro ◽  
Isabel Revilla ◽  
...  

2013 ◽  
Vol 333-335 ◽  
pp. 1586-1590
Author(s):  
Lang Ming ◽  
Zhe Chen ◽  
Jun Zhang ◽  
Fu Rong Huang ◽  
Meng Yuan Xie ◽  
...  

The monoglyceride, diglyceride, triglyceride and free fatty acids in vegetable oil was detected by the analysis method of near-infrared spectroscopy. The near-infrared spectrograms of 77 oil samples were collected, including 67 samples for calibration set and 10 samples for prediction set. The Partial Least Squares (PLS) optimized models were established with OPUS chemical analysis software. The results demonstrated that the determination coefficient of monoglyceride, diglyceride, triglyceride and free fatty acids was 0.9691,0.8627,0.8742 and 0.9194, respectively. And the standard error of prediction for the four components was 0.0104, 0.1830.201 and 0.0106, respectively. The presented results showed that the analysis method of near-infrared spectroscopy can be used to identify the diglycerides and triglycerides, but as for monoglyceride and free fatty acids, further experimental verification is needed.


2021 ◽  
Author(s):  
Ying Chen ◽  
Dong Yiyang ◽  
Xiang Ma ◽  
Jiaru Li ◽  
Minmin Guo ◽  
...  

Abstract Background: Taraxacum kok-saghyz (TKS), a plant native to the Tianshan valley on the border between China and Kazakhstan and inherently rich in natural rubber, inulin and other bioactive ingredients, is an important industrial crop. TKS rubber is a good substitute for natural rubber. TKS's breeding work necessitates the need to screen high-yielding varieties, hence rapid determination of rubber content is essential for the screening. Conventional analytical methods cannot meet actual needs in terms of real-time testing and economic cost. Near-infrared spectroscopy analysis technology, which has developed rapidly in the field of industrial process analysis in recent years, is a green detection technology with obvious merits of fast measurement speed, low cost and no sample loss. This research aims to develop a portable non-destructive near-infrared spectroscopic detection scheme to evaluate the content of natural rubber in TKS fresh roots. Pyrolysis gas chromatography (PyGC), was chosen as the reference method for the development of NIR prediction model. Results: 208 TKS fresh root samples were collected from the Inner Mongolia Autonomous Region of China. Near-infrared spectra were acquired for all samples. Randomly two-thirds of them were selected as the calibration set, the remaining one-third as the verification set, and the partial least squares method was successfully used to establish a good NIR prediction model at 1080-1800nm with a performance to deviation ratio (RPD) of 5.54 and coefficient of determination (R2) of 0.95. Conclusions: This study showed that portable near-infrared spectroscopy could be used with ease for large-scale screening of TKS plants in farmland, and could greatly facilitate TKS germplasm preservation, high-yield cultivation, environment-friendly, high-efficiency and low-cost rubber extraction, and comprehensive advancement of the dandelion rubber industry thereof.


2018 ◽  
Vol 239 ◽  
pp. 865-871 ◽  
Author(s):  
Mari Merce Cascant ◽  
Cassandra Breil ◽  
Anne Silvie Fabiano-Tixier ◽  
Farid Chemat ◽  
Salvador Garrigues ◽  
...  

2017 ◽  
Vol 25 (5) ◽  
pp. 338-347 ◽  
Author(s):  
Sudarno ◽  
Divo D Silalahi ◽  
Tauvik Risman ◽  
Baiq L Widyastuti ◽  
F Davrieux ◽  
...  

Near infrared spectroscopy calibrations for rapid oil content determination of dried-ground oil palm mesocarp and kernel were developed. Samples were analyzed, one set using the Soxhlet extraction method for reference analysis and the other set scanned by near infrared spectroscopy instrument for calibration. Successful calibrations were obtained with good accuracy and precision for mesocarp and kernel, based on statistical models. Math treatment and scatter correction had significant effects on the fitting of the calibration model. The best obtained calibration models were demonstrated by multiple correlation coefficient (R2), standard error of calibration, standard error of cross validation, coefficient of determination in cross validation (1-VR) and relative predictive deviation of calibration, which respectively were 0.997, 1.21%, 1.23%, 0.997 and 17.89 for mesocarp and 0.952, 0.47%, 0.53%, 0.94 and 4.00 for kernel. The correlations between reference and predicted values for samples in the validation sets were in agreement with high linearity, high ratio performance to deviation of prediction (≥4.00) and low standard error of prediction samples for both samples. The results demonstrated that near infrared spectroscopy can be used as an alternative and reliable technique to estimate the mesocarp and kernel oil contents in dry matter basis accurately and rapidly.


2000 ◽  
Vol 54 (2) ◽  
pp. 300-304 ◽  
Author(s):  
Denis Lafrance ◽  
Larry C. Lands ◽  
Laura Hornby ◽  
David H. Burns

A method based on near-infrared spectroscopy (NIRS) is presented, which provides a rapid analysis of lactate in plasma. In order to test the technique, NIRS analysis and enzymatic measurements were made on plasma samples taken from exercising humans. A correlation coefficient of 0.995 and a standard error of 0.51 mmol/L were found between the enzymatic and the NIR results. This standard error is within the range needed for real-time monitoring of lactate in plasma for exercising studies. In the future, this technique may provide a valuable tool to assess physiological status for research and clinical use.


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