Bērziņš Kārlis, Harrison Samuel D L, Leong Claudia, Fraser-Miller Sara J, Harper Michelle J, Diana Aly, Gibson Rosalind S, Houghton Lisa A, Gordon Keith C
The Dodd-Walls Centre for Photonic and Quantum Technologies, Department of Chemistry, University of Otago, Dunedin 9016, New Zealand.
Department of Human Nutrition, University of Otago, Dunedin 9016, New Zealand.
Spectrochim Acta A Mol Biomol Spectrosc. 2021 Feb 5;246:118982. doi: 10.1016/j.saa.2020.118982. Epub 2020 Sep 23.
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.
作为一项更大规模研究的一部分，拉曼光谱和衰减全反射傅里叶变换红外光谱（ATR-FTIR）被用于分析208份母乳样本。使用化学计量学方法进行了全面的定性和定量分析：主成分分析（PCA）和偏最小二乘法（PLS）回归。关于主要宏量营养素（蛋白质、脂肪和碳水化合物）获得的信息主要根据样本的可用元数据进行评估，其中研究地点和各自的主要食物来源显示，脂肪组成的差异比其绝对含量更为明显。文中还强调了使用这两种光谱技术进行此类分析的局限性和挑战。
