Rapid detection of volatile compounds in apple wines using FT-NIR spectroscopy

Area of Science:

• Food Chemistry
• Analytical Chemistry
• Spectroscopy

Background:

• Volatile compounds significantly impact apple wine quality and flavor.
• Accurate quantification of these compounds is crucial for quality control.
• Traditional methods like HS-SPME-GC-MS are time-consuming and resource-intensive.

Purpose of the Study:

• To evaluate the feasibility of using near-infrared (NIR) spectroscopy for determining volatile compounds in apple wines.
• To develop and validate calibration models for predicting volatile compound concentrations using NIR data.

Main Methods:

• Seventy-two apple wine samples were analyzed using NIR transmission spectroscopy.
• Volatile compounds were quantified using headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS).
• Partial least square (PLS) regression with full cross-validation and external validation was employed to build predictive models.

Main Results:

• Calibration models showed good predictive ability, with coefficients of determination (Rcv(2)) ranging from 0.8278 to 0.8916.
• External validation confirmed model accuracy, with R-squared values (Rp(2)) between 0.8811 and 0.9184.
• Residual predictive deviation (RPD) values exceeded 2.9 for all analyzed compounds, indicating robust model performance.

Conclusions:

• Near-infrared spectroscopy is a viable and rapid technique for quantifying volatile compounds in apple wines.
• NIR spectroscopy offers a fast, non-destructive alternative for routine quality assessment of apple wines.
• This technology can significantly streamline the analysis process in the beverage industry.