Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk

Kārlis Bērziņš; Samuel D.L. Harrison; Claudia Leong; Sara J. Fraser-Miller; Michelle J. Harper; Aly Diana; Rosalind S. Gibson; Lisa A. Houghton; Keith C. Gordon

doi:10.1016/j.saa.2020.118982

Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk

Kārlis Bērziņš, Samuel D.L. Harrison, Claudia Leong, Sara J. Fraser-Miller, Michelle J. Harper, Aly Diana, Rosalind S. Gibson, Lisa A. Houghton, Keith C. Gordon

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Abstract

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.

Original language	English
Article number	118982
Number of pages	7
Journal	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume	246
DOIs	https://doi.org/10.1016/j.saa.2020.118982
Publication status	Published - 5 Feb 2021
Externally published	Yes

Keywords

Breast milk
Chemometrics
Infrared spectroscopy
Metadata
Raman spectroscopy

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10.1016/j.saa.2020.118982Licence: CC BY

Published versionFinal published version, 1.36 MBLicence: CC BY

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Bērziņš, K., Harrison, S. D. L., Leong, C., Fraser-Miller, S. J., Harper, M. J., Diana, A., Gibson, R. S., Houghton, L. A., & Gordon, K. C. (2021). Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 246, Article 118982. https://doi.org/10.1016/j.saa.2020.118982

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abstract = "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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AU - Bērziņš, Kārlis

AU - Harrison, Samuel D.L.

AU - Leong, Claudia

AU - Fraser-Miller, Sara J.

AU - Harper, Michelle J.

AU - Diana, Aly

AU - Gibson, Rosalind S.

AU - Houghton, Lisa A.

AU - Gordon, Keith C.

PY - 2021/2/5

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N2 - 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.

AB - 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.

KW - Breast milk

KW - Chemometrics

KW - Infrared spectroscopy

KW - Metadata

KW - Raman spectroscopy

U2 - 10.1016/j.saa.2020.118982

DO - 10.1016/j.saa.2020.118982

M3 - Article

SN - 1386-1425

VL - 246

JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

M1 - 118982

ER -

Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk

Abstract

Keywords

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