采用连续投影法进行变量选择的近红外光谱分析菠菜种子活力的化学计量学方法

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2022-12-13 DOI:10.1177/09670335221138955
M. K. Lakshmanan, B. Boelt, R. Gislum
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引用次数: 2

摘要

本文提出了一种利用近红外(NIR)光谱和连续投影算法(SPA)评价菠菜种子活力的化学计量学方法。该过程的一个重要步骤是应用SPA来优化变量的选择,以进行多变量分类。使用SPA的变量选择被描述为一个成本函数最小化的优化问题。选择正确的变量可以使化学计量学模型更加完整、精确、准确,并且不那么复杂。采用Savitzky-Golay和乘法散射校正技术对近红外光谱进行处理。然后用SPA法选择最佳波长子集。然后将不同的分类技术应用于降维数据,以确定种子的生存能力。结果表明,与现有的典型方差方法相比,本文方法的复杂度较低(误算误差为1.7%),且易于实现。
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A chemometric method for the viability analysis of spinach seeds by near infrared spectroscopy with variable selection using successive projections algorithm
This paper proposes a chemometric method for evaluating the viability of spinach seeds using near infrared (NIR) spectroscopy and successive projections algorithms (SPA). An essential step of the procedure is to apply the SPA to optimize the choice of variables for multivariate classification. Variable selection using SPA has been described as an optimization problem in which a cost function is minimized. Selecting the correct variables makes the chemometric models more complete, precise, accurate, and less complex. The NIR spectra were processed using the Savitzky-Golay and multiplicative scatter correction techniques. After that, the best wavelength subset was selected using SPA. Different classification techniques are then applied to the dimension-reduced data to determine the seeds’ viability. The results show that the proposed method is less complex compared to existing canonical variance methods (1.7% miscalculation error in the proposed way) and is also easier to implement.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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