# FTIR-ATR Spectroscopy and Chemometrics for Varietal Screening of PDO Douro Monovarietal Wines: An Exploratory Feasibility Study

## TL;DR

This study explores using infrared spectroscopy and chemometrics to quickly identify grape varieties in Douro wines, supporting PDO traceability.

## Contribution

The study introduces FTIR-ATR spectroscopy with chemometrics as a novel rapid screening method for varietal authentication in PDO wines.

## Key findings

- FTIR-ATR spectroscopy combined with PLS-DA achieved 10.2% calibration error and 19.3% cross-validation error in differentiating monovarietal wines.
- The method captures chemically relevant spectral variability linked to grape varietal differences.
- The approach shows potential for rapid exploratory screening within PDO traceability systems.

## Abstract

The authentication of wines with Protected Designation of Origin (PDO) status is a key requirement for quality assurance, traceability, and consumer trust, particularly in traditional wine-producing regions such as the Douro Demarcated Region (Portugal). Among the certification criteria, the reliable identification of grape varieties remains technically challenging, especially when rapid and non-destructive analytical approaches are required. In this study, Fourier-transform infrared spectroscopy coupled with chemometric analysis was evaluated as a rapid screening approach for the differentiation of monovarietal Douro wines produced under standardized microvinification conditions. Twenty-one monovarietal wines were analyzed using mid-infrared spectra (1800–1000 cm−1) and classification models were developed using Partial Least Squares Discriminant Analysis (PLS-DA). The PLS-DA models showed preliminary discriminatory capacity, with apparent error rates of 10.2% for calibration and 19.3% under leave-one-out cross-validation. The results indicate that FTIR-ATR spectroscopy combined with chemometrics captures chemically relevant spectral variability associated with grape varietal differences and shows potential as a rapid exploratory screening approach within PDO traceability frameworks. Although the study is based on a limited number of biological replicates from a single vintage and sub-region, the findings provide a methodological baseline for future multi-vintage and multi-region investigations aimed at consolidating FTIR-based approaches for varietal authentication of Douro wines.