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用于酒精测定和温度校正的短波近红外光谱仪。

Short-wave near-infrared spectrometer for alcohol determination and temperature correction.

机构信息

State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, 2699 Qianjin Street, Changchun 130012, China.

出版信息

J Anal Methods Chem. 2012;2012:728128. doi: 10.1155/2012/728128. Epub 2012 May 8.

Abstract

A multichannel short-wave near-infrared (SW-NIR) spectrometer module based on charge-coupled device (CCD) detection was designed. The design relied on a tungsten lamp enhanced by light emitting diodes, a fixed grating monochromator and a linear CCD array. The main advantages were high optical resolution and an optimized signal-to-noise ratio (0.24 nm and 500, resp.) in the whole wavelength range of 650 to 1100 nm. An application to alcohol determination using partial least squares calibration and the temperature correction was presented. It was found that the direct transfer method had significant systematic prediction errors due to temperature effect. Generalized least squares weighting (GLSW) method was utilized for temperature correction. After recalibration, the RMSEP found for the 25°C model was 0.53% v/v and errors of the same order of magnitude were obtained at other temperatures (15, 35 and 40°C). And an r(2) better than 0.99 was achieved for each validation set. The possibility and accuracy of using the miniature SW-NIR spectrometer and GLSW transfer calibration method for alcohol determination at different temperatures were proven. And the analysis procedure was simple and fast, allowing a strict control of alcohol content in the wine industry.

摘要

设计了一种基于电荷耦合器件(CCD)检测的多通道短波近红外(SW-NIR)分光光度计模块。该设计依赖于增强型钨灯、固定光栅单色仪和线性 CCD 阵列。在 650 至 1100nm 的整个波长范围内,该模块具有高光学分辨率和优化的信噪比(分别为 0.24nm 和 500)的主要优点。介绍了使用偏最小二乘校准和温度校正进行酒精测定的应用。结果发现,由于温度的影响,直接传递法具有显著的系统预测误差。采用广义最小二乘加权(GLSW)法进行温度校正。重新校准后,在 25°C 模型下的 RMSEP 为 0.53%v/v,在其他温度(15、35 和 40°C)下也得到了相同数量级的误差。每个验证集的 r(2)都达到了 0.99 以上。证明了在不同温度下使用微型 SW-NIR 分光光度计和 GLSW 传递校准方法进行酒精测定的可能性和准确性。并且分析过程简单快速,可以严格控制葡萄酒行业的酒精含量。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4d48/3356901/8c817b273178/JAMC2012-728128.001.jpg

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