Simplifying Wheat Quality Assessment: Using Near-Infrared Spectroscopy and Analysis of Variance Simultaneous Component Analysis to Study Regional and Annual Effects

Stephan Freitag*, Maximilian Anlanger, Maximilian Lippl, Klemens Mechtler, Elisabeth Reiter, Heinrich Grausgruber and Rudolf Krska, 
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Abstract

Assessing the quality of wheat, one of humanity’s most important crops, in a straightforward manner, is essential. In this study, analysis of variance (ANOVA) simultaneous component analysis (ASCA) paired with near-infrared spectroscopy (NIRS) was used as an easy-to-implement and environmentally friendly tool for this purpose. The capabilities of combining NIRS with ASCA were demonstrated by studying the effects of sampling site and year on the quality of 180 Austrian wheat samples across four sites over 3 years. It was found that the year, sample site, and their combination significantly (p < 0.001) affect the NIR spectra of wheat. NIR spectral preprocessing tools, usually employed in chemometric workflows, notably influence the results obtained by ASCA, particularly in terms of the variance attributed to annual and regional effects. The influence of the year was identified as the dominant factor, followed by region and the combined effect of year and sampling site. Interpretation of the loading plots obtained by ASCA demonstrates that wheat components such as proteins, carbohydrates, moisture, or fat contribute to annual and regional differences. Additionally, the protein, starch, moisture, fat, fiber, and ash contents of wheat samples obtained using a NIR-based calibration were found to be significantly influenced by year, sampling site, or their combination using ANOVA. This study shows that the combination of ASCA with NIRS simplifies NIR-based quality assessment of wheat without the need for time- and chemical-consuming calibration development.

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简化小麦品质评价:利用近红外光谱和方差分析同时成分分析研究区域和年度效应
小麦是人类最重要的作物之一,以一种直接的方式评估小麦的质量至关重要。在本研究中,方差分析(ANOVA)同时成分分析(ASCA)与近红外光谱(NIRS)相结合,作为一种易于实现且环保的工具来实现这一目的。通过研究采样地点和年份在3年内对四个地点180个奥地利小麦样品质量的影响,证明了近红外光谱与ASCA相结合的能力。结果发现,年际、样地及其组合显著(p <;0.001)影响小麦的近红外光谱。通常用于化学计量学工作流程的近红外光谱预处理工具,会显著影响ASCA获得的结果,特别是在归因于年度和区域效应的方差方面。确定年的影响是主导因素,其次是区域,年和样地的综合影响。对ASCA获得的负荷图的解释表明,小麦成分(如蛋白质、碳水化合物、水分或脂肪)导致了年度和地区差异。此外,使用基于nir的校准方法获得的小麦样品的蛋白质、淀粉、水分、脂肪、纤维和灰分含量通过方差分析发现受到年份、采样地点或它们的组合的显著影响。该研究表明,ASCA与近红外光谱的结合简化了基于nir的小麦质量评价,而不需要耗时和耗时的化学校准开发。
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来源期刊
ACS Measurement Science Au
ACS Measurement Science Au 化学计量学-
CiteScore
5.20
自引率
0.00%
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0
期刊介绍: ACS Measurement Science Au is an open access journal that publishes experimental computational or theoretical research in all areas of chemical measurement science. Short letters comprehensive articles reviews and perspectives are welcome on topics that report on any phase of analytical operations including sampling measurement and data analysis. This includes:Chemical Reactions and SelectivityChemometrics and Data ProcessingElectrochemistryElemental and Molecular CharacterizationImagingInstrumentationMass SpectrometryMicroscale and Nanoscale systemsOmics (Genomics Proteomics Metabonomics Metabolomics and Bioinformatics)Sensors and Sensing (Biosensors Chemical Sensors Gas Sensors Intracellular Sensors Single-Molecule Sensors Cell Chips Arrays Microfluidic Devices)SeparationsSpectroscopySurface analysisPapers dealing with established methods need to offer a significantly improved original application of the method.
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