Chemometric quantification of peaberry coffee in blends using UV–visible spectroscopy and partial least squares regression
Chemometric quantification of peaberry coffee in blends using UV–visible spectroscopy and partial least squares regression
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使用紫外可见光谱和偏最小二乘回归对混合物中的豌豆咖啡进行化学计量学定量
DOI：
10.1063/1.5062774
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发表时间：
2018
期刊：
影响因子：
--
通讯作者：
Kusumiyati
中科院分区：
文献类型：
--
作者：
D. Suhandy;M. Yulia;Kusumiyati
本研究的目的是量化的peaberry咖啡共混物使用紫外可见光谱和偏最小二乘（PLS）回归。共210个研磨烘焙的混合咖啡豆（纯咖啡豆和掺杂咖啡豆，掺杂程度为0%-90%）被用作样品。在提取过程之后，使用UV-可见光谱仪在190-1100 nm范围内获得3 mL水性样品的光谱数据（Genesys 10 s，Thermo Scientific，USA）。 PLS回归用于量化混合物（peaberry-to-normal混合物）中的peaberry含量。在190-450 nm范围内，Savitzky-Golay一阶导数光谱法建立了最佳的PLS模型，其校正均方根误差（RMSEC = 1.165430%）和决定系数（R2 = 0.99）均较低。 校准模型也具有较高的RPD，11.88。本研究的目的是利用紫外-可见光谱和偏最小二乘法（PLS）对混合咖啡中的豆果咖啡进行定量分析。共210个研磨烘焙的混合咖啡豆（纯咖啡豆和掺杂咖啡豆，掺杂程度为0%-90%）被用作样品。在提取过程之后，使用UV-可见光谱仪在190-1100 nm范围内获得3 mL水性样品的光谱数据（Genesys 10 s，Thermo Scientific，USA）。 PLS回归用于量化混合物（peaberry-to-normal混合物）中的peaberry含量。在190-450 nm范围内，Savitzky-Golay一阶导数光谱法建立了最佳的PLS模型，其校正均方根误差（RMSEC = 1.165430%）和决定系数（R2 = 0.99）均较低。 校准模型也具有较高的RPD，11.88。该分析方法简便、易行、成本低、灵敏度高。
The aim of the present study is to quantify peaberry coffee in blends using UV–visible spectroscopy and partial least squares (PLS) regression. A total of 210 ground roasted peaberry coffee in blends (pure and adulterated with degree of adulteration 0%–90%) were used as samples. After the extraction process, spectral data of 3 mL aqueous samples was acquired using a UV–visible spectrometer in the range of 190–1100 nm (Genesys 10s, Thermo Scientific, USA). The PLS regression was used to quantify the peaberry content in blends (peaberry-to-normal blends). The best PLS model was achieved using Savitzky-–Golay first derivative spectra in the interval of 190–450 nm with low root mean square error of calibration (RMSEC = 1.165430%) and high determination coefficient (R2 = 0.99). The calibration model also had high a RPD, 11.88. This analytical method is simple, easy to use, of low cost, and has excellent sensitivity.The aim of the present study is to quantify peaberry coffee in blends using UV–visible spectroscopy and partial least squares (PLS) regression. A total of 210 ground roasted peaberry coffee in blends (pure and adulterated with degree of adulteration 0%–90%) were used as samples. After the extraction process, spectral data of 3 mL aqueous samples was acquired using a UV–visible spectrometer in the range of 190–1100 nm (Genesys 10s, Thermo Scientific, USA). The PLS regression was used to quantify the peaberry content in blends (peaberry-to-normal blends). The best PLS model was achieved using Savitzky-–Golay first derivative spectra in the interval of 190–450 nm with low root mean square error of calibration (RMSEC = 1.165430%) and high determination coefficient (R2 = 0.99). The calibration model also had high a RPD, 11.88. This analytical method is simple, easy to use, of low cost, and has excellent sensitivity.