研究目的
To obtain chemometric models based on MID-FTIR spectroscopy to identify and quantify CMR and EVA as adulterants of pure vanilla extracts.
研究成果
MID-FTIR spectroscopy with chemometrics successfully identified and quantified EVA and CMR adulterations in vanilla extracts. The SIMCA model achieved 100% classification accuracy, and PLS1 provided reliable quantification comparable to HPLC-DAD. The method is fast, simple, and suitable for quality control, but further research is needed for other adulterants and vanilla origins.
研究不足
The models are specific to EVA and CMR adulterants; other adulterants may not be detected. The study used vanilla from a single origin (Mexico), limiting generalizability. Spectral similarity between CMR-adulterated and pure samples made quantification more challenging.
1：Experimental Design and Method Selection:
The study used MID-FTIR spectroscopy coupled with chemometric analysis (SIMCA, PLS1, PLS2, PCR) to develop models for identifying and quantifying adulterants in vanilla extracts.
2：Sample Selection and Data Sources:
Pure vanilla extracts were prepared from vanilla pods collected in Mexico, and adulterated samples were created with EVA (
3：25-10% w/v) and CMR (25-10 ppm). Six commercial samples were also analyzed. List of Experimental Equipment and Materials:
MID-FTIR spectrometer (Spectrum GX, Perkin Elmer), HPLC-DAD system (Flexar, PerkinElmer), Hypersil BDS C18 column (Waters Corporation), reagents from Sigma-Aldrich.
4：Experimental Procedures and Operational Workflow:
Spectra were acquired in triplicate over 4000-550 cm-1 with 64 scans. Chemometric models were developed using Assure ID and Spectrum Quant+ software. HPLC-DAD was used for comparison.
5：Data Analysis Methods:
Statistical evaluation included R2, SEC, SEP, Mahalanobis distance, residual ratio, and %RD for model validation.
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