Geographic Classification of Spanish and Australian Tempranillo Red Wines by Visible and Near-Infrared Spectroscopy Combined with Multivariate Analysis

线性判别分析 主成分分析 化学计量学 偏最小二乘回归 多元统计 葡萄酒 近红外光谱 多元分析 数学 统计 模式识别(心理学) 化学 人工智能 色谱法 计算机科学 食品科学 生物 神经科学
作者
Liang Liu,Daniel Cozzolino,Wies Cynkar,Mark Gishen,C. Colby
出处
期刊:Journal of Agricultural and Food Chemistry [American Chemical Society]
卷期号:54 (18): 6754-6759 被引量:138
标识
DOI:10.1021/jf061528b
摘要

Visible (vis) and near-infrared (NIR) spectroscopy combined with multivariate analysis was used to classify the geographical origin of commercial Tempranillo wines from Australia and Spain. Wines (n = 63) were scanned in the vis and NIR regions (400−2500 nm) in a monochromator instrument in transmission. Principal component analysis (PCA), discriminant partial least-squares discriminant analysis (PLS-DA) and linear discriminant analysis (LDA) based on PCA scores were used to classify Tempranillo wines according to their geographical origin. Full cross-validation (leave-one-out) was used as validation method when PCA and LDA classification models were developed. PLS-DA models correctly classified 100% and 84.7% of the Australian and Spanish Tempranillo wine samples, respectively. LDA calibration models correctly classified 72% of the Australian wines and 85% of the Spanish wines. These results demonstrate the potential use of vis and NIR spectroscopy, combined with chemometrics as a rapid method to classify Tempranillo wines accordingly to their geographical origin. Keywords: Near-infrared; principal component analysis; discriminant partial least-squares; linear discriminant analysis; Tempranillo; wine; geographical origin
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