Stephan Freitag*, Maximilian Anlanger, Maximilian Lippl, Klemens Mechtler, Elisabeth Reiter, Heinrich Grausgruber and Rudolf Krska,
{"title":"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","authors":"Stephan Freitag*, Maximilian Anlanger, Maximilian Lippl, Klemens Mechtler, Elisabeth Reiter, Heinrich Grausgruber and Rudolf Krska, ","doi":"10.1021/acsmeasuresciau.4c0004410.1021/acsmeasuresciau.4c00044","DOIUrl":null,"url":null,"abstract":"<p >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 (<i>p</i> < 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.</p>","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"4 6","pages":"695–701 695–701"},"PeriodicalIF":4.6000,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmeasuresciau.4c00044","citationCount":"0","resultStr":"{\"title\":\"Simplifying Wheat Quality Assessment: Using Near-Infrared Spectroscopy and Analysis of Variance Simultaneous Component Analysis to Study Regional and Annual Effects\",\"authors\":\"Stephan Freitag*, Maximilian Anlanger, Maximilian Lippl, Klemens Mechtler, Elisabeth Reiter, Heinrich Grausgruber and Rudolf Krska, \",\"doi\":\"10.1021/acsmeasuresciau.4c0004410.1021/acsmeasuresciau.4c00044\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >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 (<i>p</i> < 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.</p>\",\"PeriodicalId\":29800,\"journal\":{\"name\":\"ACS Measurement Science Au\",\"volume\":\"4 6\",\"pages\":\"695–701 695–701\"},\"PeriodicalIF\":4.6000,\"publicationDate\":\"2024-10-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://pubs.acs.org/doi/epdf/10.1021/acsmeasuresciau.4c00044\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Measurement Science Au\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acsmeasuresciau.4c00044\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Measurement Science Au","FirstCategoryId":"1085","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsmeasuresciau.4c00044","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Simplifying Wheat Quality Assessment: Using Near-Infrared Spectroscopy and Analysis of Variance Simultaneous Component Analysis to Study Regional and Annual Effects
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.
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.