Near-infrared (NIR) spectroscopy coupled with principal component analysis (PCA) and partial least squares (PLS) regression was used to analyse a series of different Irish Whiskey samples in order to define their spectral profile and to assess the capability of the NIR method to identify samples based on their origin and storage (e.g. distiller, method of maturation). The ability of NIR spectroscopy to quantify the level of potential chemical adulterants was also investigated. Samples were spiked with 0.1%, 0.5%, 1.0%, 1.5% and 2.0% v/v of each adulterant (e.g. methanol, ethyl acetate, etc.) prior to NIR analysis.

中文翻译：

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这饮料里有什么？使用近红外光谱结合化学计量学对爱尔兰威士忌样品进行分类和掺假检测

近红外 (NIR) 光谱结合主成分分析 (PCA) 和偏最小二乘法 (PLS) 回归用于分析一系列不同的爱尔兰威士忌样品，以定义它们的光谱轮廓并评估 NIR 方法的能力根据样品的来源和储存（例如蒸馏器、成熟方法）识别样品。还研究了 NIR 光谱量化潜在化学掺杂物水平的能力。在 NIR 分析之前，样品中加入了 0.1%、0.5%、1.0%、1.5% 和 2.0% v/v的每种掺杂物（例如甲醇、乙酸乙酯等）。