Novel Similarity Methods Evaluation and Feasible Application for Pharmaceutical Raw Material Identification with Near-Infrared Spectroscopy

In this paper, we discuss the theory and principles behind the construction and validation of near infrared (NIR) spectroscopic libraries for raw material identification and qualification. The considerations we present for raw material library construction are based on precedents that appear in the literature and upon the experience of the authors. This treatise takes a holistic approach. The development of a raw material programme is delineated in a 12-step plan that will give the reader a comprehensive perspective. The limitations of commercial NIR libraries and the advantages of customised libraries are then briefly discussed. Finally, we describe the development and validation of a small raw materials library to illustrate the principles of library construction and validation.

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Near infrared spectroscopy based monitoring of extraction processes of raw material with the help of dynamic predictive modeling

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2017.11.023 ◽

2018 ◽

Vol 192 ◽

pp. 222-227 ◽

Cited By ~ 2

Author(s):

Haixia Wang ◽

Tongchuan Suo ◽

Xiaolin Wu ◽

Yue Zhang ◽

Chunhua Wang ◽

...

Keyword(s):

Infrared Spectroscopy ◽

Predictive Modeling ◽

Near Infrared Spectroscopy ◽

Near Infrared ◽

Raw Material ◽

Extraction Processes

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Near-Infrared Spectroscopy (NIRS) as a Tool for Classification of Pre-Sliced Iberian Salchichón, Modified Atmosphere Packaged (MAP) According to the Official Commercial Categories of Raw Meat

Foods ◽

10.3390/foods10081865 ◽

2021 ◽

Vol 10 (8) ◽

pp. 1865

Author(s):

Alberto Ortiz ◽

Lucía León ◽

Rebeca Contador ◽

David Tejerina

Keyword(s):

Infrared Spectroscopy ◽

Discriminant Analysis ◽

Least Squares ◽

Partial Least Squares ◽

Near Infrared Spectroscopy ◽

Near Infrared ◽

Raw Material ◽

Modified Atmosphere ◽

Least Squares Regression ◽

Linear Discriminant

This study evaluates near-infrared spectroscopy (NIRS) feasibility in combination with various pre-treatments and chemometric approaches for pre-sliced Iberian salchichón under modified atmosphere (MAP) classification according to the official commercial category (defined by the combination of genotype and feeding regime) of the raw material used for its manufacturing (Black and Red purebred Iberian and Iberian × Duroc crossed (50%) pigs, respectively, reared outdoors in a Montanera system and White Iberian × Duroc crossed (50%) pigs with feed based on commercial fodder) without opening the package. In parallel, NIRS feasibility in combination with partial least squares regression (PLSR) to predict main quality traits was assessed. The best-fitting models developed by means of partial least squares discriminant analysis (PLS-DA) and linear discriminant analysis (LDA) yielded high discriminant ability and thus offered a tool to support the assignment of pre-sliced MAP Iberian salchichón according to the commercial category of the raw material. In addition, good predictive ability for C18:3 n-3 was obtained, which may help to support quality control.

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Rapid and Green Method Forensic Authentication of Rice Using Near-Infrared Spectroscopy (NIRS)

Journal of Agricultural Science ◽

10.5539/jas.v12n7p105 ◽

2020 ◽

Vol 12 (7) ◽

pp. 105

Author(s):

Francisco S. Panero ◽

Pedro S. Panero ◽

João S. Panero ◽

Fernando S. E. D. V. Faria ◽

Anselmo F. R. Rodriguez

Keyword(s):

Infrared Spectroscopy ◽

Near Infrared Spectroscopy ◽

Near Infrared ◽

Geographical Origin ◽

Nir Spectroscopy ◽

Principal Component ◽

Hierarchical Cluster ◽

Dna Fingerprint ◽

Raw Material ◽

Geographical Discrimination

Rice is one of the most consumed cereals in the world. Currently, techniques for the authentication and geographical origin of rice is known not to be objective because to depend on the naked eye of a well-trained inspector. DNA fingerprint methods have been shown to be inappropriate for on-site application because the method needs a lot of labor and skilled expertise. Rice consumers want to confirm cultivation origin because they believe price or eating score has a high correlation according to them. Considering rice as a raw material of economic and social value and the recent use of NIR spectroscopy coupled with chemometric methods to authentication and discrimination of geographical origin as an alternative to classical methods in the search for a methodology in line with Green Chemistry, this work investigates the potential of NIR spectroscopy combined with multivariate analysis: PCA (Principal Component Analysis) and HCA (Hierarchical Cluster Analysis) for rapid and non-destructive forensic authentication of rice grains from Brazil and Venezuela. This study investigated the potential of near-infrared spectroscopy, combined with PCA and HCA chemometric technique to the authenticity of rice. It was verified that is feasible and advantageous to implement authenticity detection of different brands, typology and geographical discrimination (Brazil and Venezuela) rice.

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Analysis of degree maturation of edam cheese by FT Near Infrared Spectroscopy

Acta Universitatis Agriculturae et Silviculturae Mendelianae Brunensis ◽

10.11118/actaun200856010221 ◽

2008 ◽

Vol 56 (1) ◽

pp. 221-228

Author(s):

Květoslava Šustová ◽

Jana Růžičková

Keyword(s):

Infrared Spectroscopy ◽

Correlation Coefficient ◽

Near Infrared Spectroscopy ◽

Dry Matter ◽

Near Infrared ◽

Nir Spectroscopy ◽

Optical Probe ◽

Raw Material ◽

Soluble Nitrogen ◽

Processed Cheese

This work deals with use of FT NIR spectroscopy to speedy analysis of maturation of edam cheese. Maturation of cheese was study with the measure of soluble nitrogen, tyrosine and tryptophane. This method can be able to make optimal making raw material to production of processed cheese. Samples of edam cheese (45% fat in dry matter) were analysed with time of ripening 7 to 99 days. Soluble nitrogen, tyrosine and tryptophane were analysed on UV–VisSpectrometer (270 and 290 nm). Sequentially samples were analysed on FT NIR spectrometer of two methods: 1) slice of cheese was analysed help with optical probe, 2) grated cheese was analysed on the integration sphere. The values of correlation coefficient of calibration on the integration sphere were as follows: soluble nitrogen 0.922, tyrosine 0.911 and tryptophane 0.852. The values of correlation coefficient of calibration with optical probe were as follows: soluble nitrogen 0.996, tyrosine 0.958 and tryptophane 0.922.

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Potencial Use of Near Infrared Spectroscopy (NIRS) to Categorise Chorizo Sausages from Iberian Pigs According to Several Quality Standards

Applied Sciences ◽

10.3390/app112311379 ◽

2021 ◽

Vol 11 (23) ◽

pp. 11379

Author(s):

Alberto Ortiz ◽

Lucía León ◽

Rebeca Contador ◽

David Tejerina

Keyword(s):

Infrared Spectroscopy ◽

Discriminant Analysis ◽

Near Infrared Spectroscopy ◽

Near Infrared ◽

External Validation ◽

Partial Least Square ◽

Least Square ◽

Raw Material ◽

Linear Discriminant ◽

Discriminant Ability

The ability of Near Infrared Spectroscopy (NIRS) to classify pre-sliced Iberian chorizo modified atmosphere packaged (MAP) according to the animal material used in their production (Black, Red, White) in their production in accordance with the official trade categories (which includes the handling system and the different inter-racial crossbreeds) without opening the package was assayed. Furthermore, various spectra pre-treatments and supervised classification chemometric tools; Partial least square-discriminant analysis (PLS-DA), soft independent modelling of class analogies (SIMCA) and linear discriminant analysis (LDA), were assessed. The highest sensitivity values in both calibration and external validation were achieved with SIMCA followed by PLS-DA approaches, while LDA had more provided values among sensitivity and specificity and between the different commercial categories in both sample sets, thus yielding the highest discriminant ability. These results could be a resource to support the traceability and authentication control of individual pre-sliced MAP Iberian chorizo according to the commercial category of the raw material in a non-destructive way.

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