Robustness of near-infrared calibration models for the prediction of milk constituents during the milking process

2012 ◽  
Vol 80 (1) ◽  
pp. 103-112 ◽  
Author(s):  
Andreas Melfsen ◽  
Eberhard Hartung ◽  
Angelika Haeussermann

The robustness of in-line raw milk analysis with near-infrared spectroscopy (NIRS) was tested with respect to the prediction of the raw milk contents fat, protein and lactose. Near-infrared (NIR) spectra of raw milk (n = 3119) were acquired on three different farms during the milking process of 354 milkings over a period of six months. Calibration models were calculated for: a random data set of each farm (fully random internal calibration); first two thirds of the visits per farm (internal calibration); whole datasets of two of the three farms (external calibration), and combinations of external and internal datasets. Validation was done either on the remaining data set per farm (internal validation) or on data of the remaining farms (external validation). Excellent calibration results were obtained when fully randomised internal calibration sets were used for milk analysis. In this case, RPD values of around ten, five and three for the prediction of fat, protein and lactose content, respectively, were achieved. Farm internal calibrations achieved much poorer prediction results especially for the prediction of protein and lactose with RPD values of around two and one respectively. The prediction accuracy improved when validation was done on spectra of an external farm, mainly due to the higher sample variation in external calibration sets in terms of feeding diets and individual cow effects. The results showed that further improvements were achieved when additional farm information was added to the calibration set. One of the main requirements towards a robust calibration model is the ability to predict milk constituents in unknown future milk samples. The robustness and quality of prediction increases with increasing variation of, e.g., feeding and cow individual milk composition in the calibration model.

Foods ◽  
2021 ◽  
Vol 10 (2) ◽  
pp. 233
Author(s):  
Julio Nogales-Bueno ◽  
Francisco José Rodríguez-Pulido ◽  
Berta Baca-Bocanegra ◽  
Dolores Pérez-Marin ◽  
Francisco José Heredia ◽  
...  

Developing chemometric models from near-infrared (NIR) spectra requires the use of a representative calibration set of the entire population. Therefore, generally, the calibration procedure requires a large number of resources. For that reason, there is a great interest in identifying the most spectrally representative samples within a large population set. In this study, principal component and hierarchical clustering analyses have been compared for their ability to provide different representative calibration sets. The calibration sets generated have been used to control the technological maturity of grapes and total phenolic compounds of grape skins in red and white cultivars. Finally, the accuracy and precision of the models obtained with these calibration sets resulted from the application of the selection algorithms studied have been compared with each other and with the whole set of samples using an external validation set. Most of the standard errors of prediction (SEP) in external validation obtained from the reduced data sets were not significantly different from those obtained using the whole data set. Moreover, sample subsets resulting from hierarchical clustering analysis appear to produce slightly better results.


1998 ◽  
Vol 6 (1) ◽  
pp. 317-324 ◽  
Author(s):  
Masahiko Shimoyama ◽  
Toshio Ninomiya ◽  
Kimi Sano ◽  
Yukihiro Ozaki ◽  
Hisamitsu Higashiyama ◽  
...  

Near infrared (NIR) diffuse reflectance spectra have been measured using a rotating drawer for pellets of 16 kinds of linear low-density polyethylene (LLDPE) with short branches and PE without any branches to propose a calibration model which predicts their density and to increase the understanding of NIR spectra of LLDPE. The density of the LLDPE samples investigated was in the range 0.911–0.925 g cm−3. Partial least squares (PLS) regression has been applied to the original NIR spectra data set, their second derivatives and the spectra after multiplicative scatter correction (MSC) treatment to make up the models. The correlation coefficient was calculated to be 0.961, 0.965 and 0.970 for the original NIR spectra, their second derivatives and those with the MSC treatment, respectively, and the standard error of prediction ( SEP) was found to be 0.001 g cm−3 for all the cases. The regression coefficients plot for the calibration models shows that bands at 1192, 1376 and 1698 nm due to the overtone and combination modes of the CH3 groups play important roles in the prediction of density.


Animals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1998
Author(s):  
José Ignacio Amorena ◽  
Dolores María Eugenia Álvarez ◽  
Elvira Fernández-Ahumada

Llama fibre has the potential to become the most valuable textile resource in the Puna region of Argentina. In this study near infrared reflectance spectroscopy was evaluated to predict the mean fibre diameter in llama fleeces. Analyses between sets of carded and non-carded samples in combination with spectral preprocessing techniques were carried out and a total of 169 spectral signatures of llama samples in Vis and NIR ranges (400–2500 nm) were obtained. Spectral preprocessing consisted in wavelength selection (Vis–NIR, NIR and discrete ranges) and multiplicative and derivative pretreatments; spectra without pretreatments were also included, while modified partial least squares (M-PLS) regression was used to develop prediction models. Predictability was evaluated through R2: standard cross validation error (SECV), external validation error (SEV) and residual predictive value (RPD). A total of 54 calibration models were developed in which the best model (R2 = 0.67; SECV = 1.965; SEV = 2.235 and RPD = 1.91) was obtained in the Vis–NIR range applying the first derivative pretreatment. ANOVA analysis showed differences between carded and non-carded sets and the models obtained could be used in screening programs and contribute to valorisation of llama fibre and sustainable development of textile industry in the Puna territory of Catamarca. The data presented in this paper are a contribution to enhance the scarce information on this subject.


2008 ◽  
Vol 38 (10) ◽  
pp. 2626-2634 ◽  
Author(s):  
Christian R. Mora ◽  
Laurence R. Schimleck

The effects of using reduced calibration sets on the development of near-infrared (NIR) calibration models for the prediction of kraft pulp yield in Eucalyptus nitens (Dean & Maiden) Maiden trees were explored. Three selection techniques based on NIR spectral data (CADEX (computer-aided design of experiments), DUPLEX, and SELECT algorithms) and one selection method based on a measured property (RANKING algorithm) were used for analysis and compared against a model using all data. The effect of using calibration sets of different sizes was also evaluated. All sample-selection methods resulted in models of similar performance compared with the model fitted using all samples. For calibration purposes, RANKING selection resulted in models with the lowest errors of cross-validation, followed by the DUPLEX, CADEX, and SELECT methods. In terms of validation, the SELECT and CADEX methods resulted in lower errors of prediction compared with the DUPLEX and RANKING algorithms. In general, cross-validation and prediction errors decreased as the number of calibration samples increased. These results show that it is possible to obtain adequate NIR calibration models with a reduced number of samples allowing the remaining samples to be used for model validation and that sample selection based on NIR spectral data alone is as successful as selection based on a measured property.


2017 ◽  
Vol 63 (No. 5) ◽  
pp. 226-230 ◽  
Author(s):  
Zbíral Jiří ◽  
Čižmár David ◽  
Malý Stanislav ◽  
Obdržálková Elena

Determining and characterizing soil organic matter (SOM) cheaply and reliably can help to support decisions concerning sustainable land management and climate policy. Glomalin was recommended as one of possible indicators of SOM quality. Extracting glomalin from and determining it in soils using classical chemical methods is too complicated and therefore near-infrared spectroscopy (NIRS) was studied as a method of choice for the determination of glomalin. Representative sets of 84 different soil samples from arable land and grasslands and 75 forest soils were used to develop NIRS calibration models. The parameters of the NIRS calibration model (R = 0.90 for soils from arable land and grasslands and R = 0.94 for forest soils) proved that glomalin can be determined in air-dried soils by NIRS with adequate trueness and precision simultaneously with determination of nitrogen and oxidizable carbon.


2002 ◽  
Vol 56 (5) ◽  
pp. 599-604 ◽  
Author(s):  
Young-Ah Woo ◽  
Yoko Terazawa ◽  
Jie Yu Chen ◽  
Chie Iyo ◽  
Fuminori Terada ◽  
...  

A new measurement unit, the MilkSpec-1, has been developed to determine rapidly and nondestructively the content of fat, lactose, and protein in raw milk using near-infrared transmittance spectroscopy. The spectral range over 700 to 1100 nm was used. This unit was designed for general glass test tubes, 12 mm in diameter and 10 mL in volume. Al2O3 with a thickness of 2.5 mm was found to be optimum as a reference for acquiring the milk spectrum for this measurement. The NIR transmittance spectra of milk were acquired from raw milk samples without homogenization. The calibration model was developed and predicted by using a partial least-squares (PLS) algorithm. In order to reduce the scattering effect due to fat globules and casein micelles in NIR transmittance spectra, multiplicative scatter correction (MSC) and/or second derivative treatment were performed. MSC treatment proved to be useful for the development of calibration models for fat and protein. This study resulted in low standard errors of prediction (SEP), with 0.06, 0.10, and 0.10% for fat, lactose, and protein, respectively. It is shown that accurate, rapid, and nondestructive determination of milk composition could be successfully performed by using the MilkSpec-1, presenting the potential use of this method for real-time on-line monitoring in a milking process.


1999 ◽  
Vol 45 (9) ◽  
pp. 1651-1658 ◽  
Author(s):  
Stephen F Malin ◽  
Timothy L Ruchti ◽  
Thomas B Blank ◽  
Suresh N Thennadil ◽  
Stephen L Monfre

Abstract Background: Self-monitoring of blood glucose by diabetics is crucial in the reduction of complications related to diabetes. Current monitoring techniques are invasive and painful, and discourage regular use. The aim of this study was to demonstrate the use of near-infrared (NIR) diffuse reflectance over the 1050–2450 nm wavelength range for noninvasive monitoring of blood glucose. Methods: Two approaches were used to develop calibration models for predicting the concentration of blood glucose. In the first approach, seven diabetic subjects were studied over a 35-day period with random collection of NIR spectra. Corresponding blood samples were collected for analyte analysis during the collection of each NIR spectrum. The second approach involved three nondiabetic subjects and the use of oral glucose tolerance tests (OGTTs) over multiple days to cause fluctuations in blood glucose concentrations. Twenty NIR spectra were collected over the 3.5-h test, with 16 corresponding blood specimens taken for analyte analysis. Results: Statistically valid calibration models were developed on three of the seven diabetic subjects. The mean standard error of prediction through cross-validation was 1.41 mmol/L (25 mg/dL). The results from the OGTT testing of three nondiabetic subjects yielded a mean standard error of calibration of 1.1 mmol/L (20 mg/dL). Validation of the calibration model with an independent test set produced a mean standard error of prediction equivalent to 1.03 mmol/L (19 mg/dL). Conclusions: These data provide preliminary evidence and allow cautious optimism that NIR diffuse reflectance spectroscopy using the 1050–2450 nm wavelength range can be used to predict blood glucose concentrations noninvasively. Substantial research is still required to validate whether this technology is a viable tool for long-term home diagnostic use by diabetics.


2009 ◽  
Vol 78 (4) ◽  
pp. 685-690 ◽  
Author(s):  
Michaela Dračková ◽  
Pavlína Navrátilová ◽  
Luboš Hadra ◽  
Lenka Vorlová ◽  
Lenka Hudcová

The objective of this study was to study the use of Fourier transform near infrared spectroscopy (FTNIR) combined with the partial least square (PLS) method for determining the residues of penicillin and cloxacillin in raw milk. The spectra were measured in the reflectance mode with transflectance cell in the spectral range of 10,000 – 4,000 cm-1 with 100 scans. Calibration models were developed. They were assessed statistically based on correlation coefficients (R) and standard errors of calibration (SEC). For penicillin, the following values were established: R = 0.951 and SEC = 0.004. For cloxacillin, they were R = 0.871 and SEC = 0.007. These calibration models were verified later with cross-validation. Better results were obtained in the calibration and validation models that were developed on milk samples coming from one farm. Using FT-NIR, the maximum residue limit (MRL) of cloxacillin in milk can be determined. However, standard errors of calibration and validation for penicillin G exceed the fixed MRL. FT-NIR spectroscopy is not a suitable method for accurate determination of these substances in raw milk. Variability in milk composition has a major influence on detection of substances present at very low concentrations.


1998 ◽  
Vol 52 (4) ◽  
pp. 604-612 ◽  
Author(s):  
Eric Bouveresse ◽  
Chiara Casolino ◽  
Désiré-Luc Massart

A procedure to check the validity of near-infrared calibration models over time is proposed. Validation samples are analyzed at regular time intervals by both near-infrared and reference methods in order to check the validity of the near-infrared calibration model. When an invalid situation is detected, a stable polystyrene standard is measured, to determine whether this invalid situation is due to fluctuations of the instrumental response of the near-infrared spectrometer or not. A first method based on simulating simple instrumental differences enables one to correct those simple differences with only the polystyrene standard. It is shown that such an approach can correct most of the simple instrumental differences without the use of standardization procedures. However, when the invalid situation is due to more complex instrumental differences, standardization must be applied. This procedure is applied to simulated and real near-infrared data sets.


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