Application of Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy coupled with chemometrics for detection and quantification of formalin in cow milk

Balan, Biji; Dhaulaniya, Amit S.; Jamwal, Rahul; Sodhi, Kushneet Kaur; Kelly, Simon; Cannavan, Andrew; Singh, Dileep Kumar

doi:10.1016/j.vibspec.2020.103033

Cited by 47 publications

(36 citation statements)

References 27 publications

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“…To further enhance the use of FT-IR and apply a multi-pronged approach, it is often used in amalgamation with multivariate statistical methods known as chemometrics. Chemometric methods such as Partial least squares discriminant analysis (PLS-DA), Principal component analysis (PCA), Cluster analysis (CA) or Soft independent class modelling analogy (SIMCA) allows scientists to elicit vital information from big sets of data (Balan et al, 2020). Mellado-Carretero et al (2019) used pairwise SIMCA models to show significant chemical differences in protein-polysaccharide conjugates.…”

Section: Introductionmentioning

confidence: 99%

Structural properties of native and conjugated black soldier fly (Hermetia illucens) larvae protein via Maillard reaction and classification by SIMCA

Mshayisa

Wyk

Zozo

et al. 2021

Heliyon

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Black soldier fly (Hermetia illucens) has received considerable interest as an alternative protein source. Aqueous solutions of black soldier fly larvae (BSFL) protein and glucose (2:1 w.w À1 , pH 9) were heated at 50, 70 and 90 C, for 2-10 h at 2 h intervals, respectively. The zeta-potential (ζ) of BSFL-Glu conjugates heat-treated at 70 C ranged from -10.25 to -25.25 mV while the native BSFL protein ranged from -12.84 to -16.70 mV. The ζ-potential analysis revealed that the glycation reaction modified the surface charge density of the BSFL protein as a function of reaction time and temperature. In addition, an increase in thermal stability of the BSFL-Glu conjugates was observed by means of Thermo-gravimetric analysis (TGA) and differential scanning calorimetry (DSC). Fourier transform infrared spectroscopy (FT-IR) analysis indicated that the most apparent structural changes in the BSFL protein were in the amide I and amide II region. Well-separated clusters permitting differentiation between native BSFL and BSFL-Glu conjugates were observed by using principal component analysis (PCA) on FT-IR spectra. At 50, 70 and 90 C the first two principal components (PC1 and PC2) showed an accumulated total variance of 91, 96 and 95%, respectively. A classification efficiency of 91% was obtained when using soft independent modelling of class analogy (SIMCA). Infrared spectroscopy combined with SIMCA is a powerful tool to monitor the formation of edible insect protein-sugar conjugates by Maillard reaction. As a result, combining FT-IR spectroscopy with multivariate techniques (PCA and SIMCA) exhibited a strong potential to differentiate between native and glycated protein samples from black soldier fly larvae.

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Section: Introductionmentioning

confidence: 99%

Structural properties of native and conjugated black soldier fly (Hermetia illucens) larvae protein via Maillard reaction and classification by SIMCA

Mshayisa

Wyk

Zozo

et al. 2021

Heliyon

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“…Lastly, carbohydrates once again exhibited an array of signals, particularly in the range of 900 to 1200 cm −1 . A full list of Raman and IR spectral peaks and their respective assignments (based on studies by McGoverin et al [ 39 ], Balan et al [ 21 ] and De Marchi et al [ 24 ]) are available in the supporting information (Table S3).…”

Section: Resultsmentioning

confidence: 99%

“…Data collected from the breast milk samples were further processed using the principal component analysis (PCA); a valuable data analysis tool highlighted by a variety of different studies, including ones investigating milk or milk based products [ 21 ]. This chemometric technique permits a reduction in the number of variables without the concomitant loss of information with the results represented by scores and loadings.…”

Section: Resultsmentioning

confidence: 99%

“…Interestingly, although vibrational spectroscopy has been widely applied for the analysis of range of different milk samples from many species including cow's milk [ [20] , [21] , [22] , [23] , [24] ], goat's milk [ 25 ], soymilk [ 26 ] and buffalo milk [ 26 ], only a few studies have used these techniques for investigating breast milk [ [27] , [28] , [29] , [30] ]. Additionally, most of the research focus has been limited to qualitative or semi-quantitative analysis.…”

Section: Introductionmentioning

confidence: 99%

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Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk

Bērziņš

Harrison

Leong

et al. 2021

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Raman and attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy were used to analyze 208 breast milk samples as part of a larger research study. Comprehensive qualitative and quantitative analysis was carried out using chemometric methods: principal component analysis (PCA) and partial least squares (PLS) regression. The obtained information on the main macronutrients (protein, fat and carbohydrate) were primarily evaluated in relation to the available metadata of the samples, where study location and respective primary food sources revealed a stronger differentiation in fat composition than its absolute content. The limitations and challenges of using both spectroscopic techniques for the type of analysis are also highlighted.

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“…e detection line shows red or colorless to indicate the presence or absence of the target molecules [12,13]. e computer-aided discriminant analysis is mainly based on the data information of spectroscopy, chromatography, mass spectrometry, and so on, of the samples and combined with the chemometrics algorithm [14][15][16][17]. Because spectral data can be obtained quickly and contain abundant sample molecular information, it has become a key area of rapid detection technology research and development.…”

Section: Introductionmentioning

confidence: 99%

Rapid Discrimination of Cheese Products Based on Probabilistic Neural Network and Raman Spectroscopy

Zhang

2020

Journal of Spectroscopy

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The aim of this work is to solve the practical problem that there are relatively few fast, intelligent, and objective methods to distinguish dairy products and to further improve the quality control methods of them. Therefore, an approach of cheese product brand discrimination method based on Raman spectroscopy and probabilistic neural network algorithm was developed. The experimental results show that the spectrum contains abundant molecular vibration information of carbohydrates, fats, proteins, and other components, and the Raman spectral data collection time of a single sample is only 100 s. Due to the high spectral similarity between samples, it is impossible to identify them with naked eyes. Characteristic peak intensity combined with statistical process control method was employed to study the fluctuation characteristics of samples. The results show that the characteristic peak of experimental samples fluctuates within a certain control limit. However, due to the high similarity between the Raman spectra of different brand samples, they cannot be effectively identified as well. This paper further studied and established the analytical approach based on Raman spectroscopy, including wavelet denoising, normalization, principal component analysis, and probabilistic neural network discrimination. In db1 wavelet processing, [−1, 1] normalization, 74 principal components (cumulative contribution rate of 100%) can realize the effective discrimination of different brands of cheese products in 1 s, with the average recognition accuracy of 96%. The discriminant method established in this work has the advantages of simple operation, rapid analysis, and accurate results. It provides a technical reference for the fight against counterfeit products and has a broad application prospect.

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Application of Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy coupled with chemometrics for detection and quantification of formalin in cow milk

Cited by 47 publications

References 27 publications

Structural properties of native and conjugated black soldier fly (Hermetia illucens) larvae protein via Maillard reaction and classification by SIMCA

Structural properties of native and conjugated black soldier fly (Hermetia illucens) larvae protein via Maillard reaction and classification by SIMCA

Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk

Rapid Discrimination of Cheese Products Based on Probabilistic Neural Network and Raman Spectroscopy

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