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首页> 外文期刊>Notulae Botanicae Horti Agrobotanici Cluj-Napoca >Rapid Quantitative Analysis of Ethanol and Prediction of Methanol Content in Traditional Fruit Brandies from Romania, using FTIR Spectroscopy and Chemometrics
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Rapid Quantitative Analysis of Ethanol and Prediction of Methanol Content in Traditional Fruit Brandies from Romania, using FTIR Spectroscopy and Chemometrics

机译：使用FTIR光谱和化学计量学对罗马尼亚传统水果白兰地中的乙醇进行快速定量分析并预测甲醇含量

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摘要

Fourier Transform Infrared (FTIR) spectroscopy in combination with chemometrics were applied for the quality control of 26 fruit brandies made by traditional technology in Romania. Firstly, for the identification and quantitative evaluation of methanol and ethanol in such samples, 4 mixtures of methanol and ethanol standard solutions and a spiked sample were fingerprinted in the 1200 - 950 cm-1 FTIR spectral range, identifying specific wavelength of 1020 and 1112 for methanol, 1047 and 1087 for ethanol. Then, the FTIR spectra of all brandy samples in the range 3500 - 750 cm-1 was registered and the methanol and ethanol concentrations were determined according to the previous calibration. By PCA (Principal component analysis) of FTIR areas (1170 -1000 cm-1), the variability and discrimination between samples was possible, discriminating between the biological and geographical origin of brandy samples. Based on peak areas and intensities, it was predicted the concentration of methanol in all samples, using Partial least squares regression (PLS). The correlation between FTIR and the reference method (GC-FID) was well correlated and significant (p<0.05). It was demostrated that FTIR technique offer a good prediction and statistical correlation with GC-FID technique for methanol quantification.
机译：傅里叶变换红外光谱（FTIR）和化学计量学相结合，被用于罗马尼亚传统技术制造的26种水果白兰地的质量控制。首先，为了鉴定和定量评估此类样品中的甲醇和乙醇，在1200-950 cm-1 FTIR光谱范围内对4种甲醇和乙醇标准溶液的混合物以及加标样品进行了指纹识别，确定了1020和1112的比波长。甲醇，1047和1087（乙醇）。然后，记录所有白兰地样品在3500-750 cm-1范围内的FTIR光谱，并根据先前的校准确定甲醇和乙醇的浓度。通过FTIR区域（1170 -1000 cm-1）的PCA（主成分分析），样品之间的变异和区分是可能的，从而可以区分白兰地样品的生物学和地理起源。根据峰面积和强度，使用偏最小二乘回归（PLS）预测了所有样品中甲醇的浓度。 FTIR与参考方法（GC-FID）之间的相关性很好且相关性显着（p <0.05）。据推测，FTIR技术与GC-FID技术可提供良好的预测和统计相关性，以进行甲醇定量。

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