通过 GC-FID 和中红外光谱快速分析摩洛哥迷迭香精油中的桉叶油掺假情况

IF 2.7 3区 化学 Q2 CHEMISTRY, ANALYTICAL Vibrational Spectroscopy Pub Date : 2024-03-15 DOI:10.1016/j.vibspec.2024.103674
Abdennacer El Mrabet , Aimen El Orche , Abderrahim Diane , Joel B. Johnson , Amal Ait Haj Said , Mustapha Bouatia , Ibrahim Sbai-Elotmani
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引用次数: 0

摘要

从迷迭香中提取的精油(EO)以其治疗、抗真菌、刺激和抗菌功效而闻名。本研究旨在利用火焰离子化检测气相色谱法(GC-FID)和傅立叶变换中红外光谱法(FT-MIR)这两种分析技术,结合主成分分析法(PCA)、偏最小二乘法回归法(PLS-R)和支持向量回归法(SVR)等化学计量学工具,检测和量化迷迭香精油中不同比例的桉树精油掺假情况。对 GC-FID 和傅立叶变换红外光谱分析得出的结果进行 PCA 分析表明,可以将数据分为两类:掺假精油和非掺假精油。不过需要注意的是,GC-FID 只能检测出 40% 以上的掺假成分,而光谱法则能检测出更低比例的掺假成分。使用 PLS-R 和 SVR 校准模型进行掺假定量分析,结果表明这两种技术(GC-FID 和 FT-MIR)都具有很高的性能,高 R2 相关系数表明拟合良好,较低的均方根误差 (RMSE) 值表明预测准确。结果表明,在掺假精油的定量和鉴别方面,傅立叶变换红外光谱法优于气相色谱-发射光谱法。由于傅立叶变换红外光谱法无破坏性、速度快且无需样品制备,因此被认为优于气相色谱-质谱联用仪。
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Rapid analysis of eucalyptus oil adulteration in Moroccan rosemary essential oil via GC-FID and mid-infrared spectroscopy

Essential Oil (EO) extracted from Rosemary is known for its therapeutic, antifungal, stimulant and antibacterial effects. This study aimed to detect and quantify the adulteration of Rosemary essential oil with different percentages of eucalyptus essential oil, using two analytical techniques: gas chromatography with Flame Ionization Detection (GC-FID) and Fourier Transform Mid-infrared spectroscopy (FT-MIR), combined with chemometric tools such as Principal Component Analysis (PCA), Partial Least Squares regression (PLS-R) and support vector regression (SVR). The use of PCA on the results obtained from GC-FID and FT-MIR indicates the possibility of categorizing the data into two distinct groups: adulterated essential oil and non-adulterated essential oil. However, it is noted that GC-FID can only detect adulteration starting from 40%, while spectroscopy is capable of detecting lower percentages of adulteration. The use of PLS-R and SVR calibration models for adulteration quantification demonstrates high performance capabilities for both techniques (GC-FID and FT-MIR), as indicated by high R2 correlation coefficients indicating good fit, with lower root mean square error (RMSE) values demonstrating predictive accuracy. The results suggest that FT-MIR spectroscopy is preferable to GC-FID for the quantification and discrimination of adulterated essential oils. FT-MIR spectroscopy is considered superior to GC-FID due to its non-destructiveness, speed and lack of sample preparation.

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来源期刊
Vibrational Spectroscopy
Vibrational Spectroscopy 化学-分析化学
CiteScore
4.70
自引率
4.00%
发文量
103
审稿时长
52 days
期刊介绍: Vibrational Spectroscopy provides a vehicle for the publication of original research that focuses on vibrational spectroscopy. This covers infrared, near-infrared and Raman spectroscopies and publishes papers dealing with developments in applications, theory, techniques and instrumentation. The topics covered by the journal include: Sampling techniques, Vibrational spectroscopy coupled with separation techniques, Instrumentation (Fourier transform, conventional and laser based), Data manipulation, Spectra-structure correlation and group frequencies. The application areas covered include: Analytical chemistry, Bio-organic and bio-inorganic chemistry, Organic chemistry, Inorganic chemistry, Catalysis, Environmental science, Industrial chemistry, Materials science, Physical chemistry, Polymer science, Process control, Specialized problem solving.
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