Advances in Atypical FT-IR Milk Screening: Combining Untargeted Spectra Screening and Cluster Algorithms

Fourier-transform mid-infrared spectrometry is an attractive technology for screening adulterated liquid milk products. So far, studies on how infrared spectroscopy can be used to screen spectra for atypical milk composition have either used targeted methods to test for specific adulterants, or have...

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Vydáno v:Foods Ročník 10; číslo 5; s. 1111
Hlavní autoři: Spieß, Lukas, de Peinder, Peter, van den Bijgaart, Harrie
Médium: Journal Article
Jazyk:angličtina
Vydáno: Switzerland MDPI AG 18.05.2021
MDPI
Témata:
Adulterants
adulteration
Algorithms
Clusters
Datasets
Farms
Food science
Fourier transforms
Fourier-transform infrared
Infrared spectra
Infrared spectroscopy
Lactose
liquids
Mathematical models
metadata
Milk
milk analysis
milk composition
Milk products
Principal components analysis
Proteins
Quality assurance
quality control
Scientific imaging
Screening
spectra
Spectrometry
spectroscopy
untargeted
Netherlands
cluster
spectra
Fourier-transform infrared
chemometrics
spectroscopy
adulteration
milk
untargeted
machine learning
ISSN:2304-8158, 2304-8158
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Shrnutí:Fourier-transform mid-infrared spectrometry is an attractive technology for screening adulterated liquid milk products. So far, studies on how infrared spectroscopy can be used to screen spectra for atypical milk composition have either used targeted methods to test for specific adulterants, or have used untargeted screening methods that do not reveal in what way the spectra are atypical. In this study, we evaluate the potential of combining untargeted screening methods with cluster algorithms to indicate in what way a spectrum is atypical and, if possible, why. We found that a combination of untargeted screening methods and cluster algorithms can reveal meaningful and generalizable categories of atypical milk spectra. We demonstrate that spectral information (e.g., the compositional milk profile) and meta-data associated with their acquisition (e.g., at what date and which instrument) can be used to understand in what way the milk is atypical and how it can be used to form hypotheses about the underlying causes. Thereby, it was indicated that atypical milk screening can serve as a valuable complementary quality assurance tool in routine FTIR milk analysis.
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ISSN:2304-8158
2304-8158
DOI:10.3390/foods10051111