Quantitative analysis of various citrus oils by ATR/FT-IR and NIR-FT Raman Spectroscopy
Quantitative analysis of various citrus oils by ATR/FT-IR and NIR-FT Raman Spectroscopy
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DOI：
10.1366/0003702021954296
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发表时间：
2002-01-01
影响因子：
3.5
通讯作者：
Steuer, B
中科院分区：
文献类型：
--
作者：
Schulz, H;Schrader, B;Steuer, B
通过 ATR/FT-IR 以及 NIR-FT 拉曼光谱研究了各种商业柑橘品种的精油。油中存在的一些最相关的单萜成分，例如柠檬烯和γ-萜品烯，在红外和拉曼光谱中显示出特征关键谱带，这对于定量区分不同的油类型非常有用。对光谱数据应用主成分分析 (PCA)，在大多数情况下，单个柑橘产品作为 3 维因子空间中的独立簇进行定位。交叉验证统计表明，偏最小二乘 (PLS) 算法能够对相对油成分以及一般质量参数进行高质量预测。本研究中描述的两种互补光谱技术都有可能取代现有的分析程序，因为它们能够更快地进行质量控制测量，并且允许在蒸馏或萃取过程中进行在线分析。
The essential oils of various commercial citrus species were studied by ATR/FT-IR as well as NIR-FT Raman spectroscopy. Some of the most relevant monoterpene components occurring in the oil, such as limonene and gamma-terpinene, show characteristic key bands in the IR and Raman spectra, which are useful for making a quantitative distinction between different oil types. Applying principal component analysis (PCA) to the spectral data, the individual citrus products are located, in most cases, as separated clusters in a 3-dimensional factor space. Cross-validation statistics showed that a partial least-square (PLS) algorithm was able to produce high quality predictions of the relative oil composition as well as general quality parameters. Both complementary spectroscopic techniques described in this study have the potential to replace existing analytical procedures because they are capable of faster quality control measurements and they allow on-line analyses during distillation or extraction processes to be performed.