Meessias Antônio da Silva , Cid Naudi Silva Campos , Renato de Mello Prado , Alessandra Rodrigues dos Santos , Ana Carina da Silva Candido , Dthenifer Cordeiro Santana , Izabela Cristina de Oliveira , Fábio Henrique Rojo Baio , Carlos Antonio da Silva Junior , Larissa Pereira Ribeiro Teodoro , Paulo Eduardo Teodoro
{"title":"Prediction of secondary metabolites in maize under different nitrogen inputs by hyperspectral sensing and machine learning","authors":"Meessias Antônio da Silva , Cid Naudi Silva Campos , Renato de Mello Prado , Alessandra Rodrigues dos Santos , Ana Carina da Silva Candido , Dthenifer Cordeiro Santana , Izabela Cristina de Oliveira , Fábio Henrique Rojo Baio , Carlos Antonio da Silva Junior , Larissa Pereira Ribeiro Teodoro , Paulo Eduardo Teodoro","doi":"10.1016/j.infrared.2024.105524","DOIUrl":null,"url":null,"abstract":"<div><p>Flavonoids are compounds resulting from secondary plant metabolism that provide benefits to human health by food. This study aimed to accuracy of predicting flavonoids in maize plants subjected to different nitrogen rates using hyperspectral reflectance and machine learning (ML) algorithms. The experiment was carried out in randomized blocks in a 4 × 5 factorial design (four N inputs: 0; 30; 60 and 120 % of the recommended N input; and five readings of the reflectance spectra in maize leaves from different vegetative stages: V6, V8, V10, V12 and V14, in four replications, totaling 80 treatments. N rates were applied in the V4 and V8 phenological stages, using urea as the N source. For hyperspectral analysis, four leaves from each treatment were collected and analyzed using a spectroradiometer (FieldSpec 4 HRes, Analytical Spectral Devices), capturing the spectrum in the 350 to 2500 nm range. Subsequently, the leaf samples used in the reflectance readings were dried, ground and subjected to isoflavone quantification, analyzed by ultra-performance liquid chromatography in three repetitions, quantifying daidzein 1 (D1), daidzein 2 (D2), genistein 1 (G1), genistein 2 (G2), and total isoflavones. Data obtained was subjected to machine learning analysis, testing two data set input configurations: wavelengths (WL) and calculated spectral bands (B), and D1, D2, G1, G2 and total isoflavones as output variables. The ML algorithms tested were artificial neural networks (ANN), REPTree (DT), M5P decision tree (M5P), ZeroR (R), Random Forest (RF) and support vector machine (SVM), evaluated according to their performance by the correlation coefficient (r) and mean absolute error (MAE). The results show that the SVM algorithm had the highest accuracy in predicting the variables D1, D2, G1, G2 and total isoflavones, outperforming the other algorithms when WL was used as input in dataset.</p></div>","PeriodicalId":13549,"journal":{"name":"Infrared Physics & Technology","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Infrared Physics & Technology","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1350449524004080","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"INSTRUMENTS & INSTRUMENTATION","Score":null,"Total":0}
引用次数: 0
Abstract
Flavonoids are compounds resulting from secondary plant metabolism that provide benefits to human health by food. This study aimed to accuracy of predicting flavonoids in maize plants subjected to different nitrogen rates using hyperspectral reflectance and machine learning (ML) algorithms. The experiment was carried out in randomized blocks in a 4 × 5 factorial design (four N inputs: 0; 30; 60 and 120 % of the recommended N input; and five readings of the reflectance spectra in maize leaves from different vegetative stages: V6, V8, V10, V12 and V14, in four replications, totaling 80 treatments. N rates were applied in the V4 and V8 phenological stages, using urea as the N source. For hyperspectral analysis, four leaves from each treatment were collected and analyzed using a spectroradiometer (FieldSpec 4 HRes, Analytical Spectral Devices), capturing the spectrum in the 350 to 2500 nm range. Subsequently, the leaf samples used in the reflectance readings were dried, ground and subjected to isoflavone quantification, analyzed by ultra-performance liquid chromatography in three repetitions, quantifying daidzein 1 (D1), daidzein 2 (D2), genistein 1 (G1), genistein 2 (G2), and total isoflavones. Data obtained was subjected to machine learning analysis, testing two data set input configurations: wavelengths (WL) and calculated spectral bands (B), and D1, D2, G1, G2 and total isoflavones as output variables. The ML algorithms tested were artificial neural networks (ANN), REPTree (DT), M5P decision tree (M5P), ZeroR (R), Random Forest (RF) and support vector machine (SVM), evaluated according to their performance by the correlation coefficient (r) and mean absolute error (MAE). The results show that the SVM algorithm had the highest accuracy in predicting the variables D1, D2, G1, G2 and total isoflavones, outperforming the other algorithms when WL was used as input in dataset.
期刊介绍:
The Journal covers the entire field of infrared physics and technology: theory, experiment, application, devices and instrumentation. Infrared'' is defined as covering the near, mid and far infrared (terahertz) regions from 0.75um (750nm) to 1mm (300GHz.) Submissions in the 300GHz to 100GHz region may be accepted at the editors discretion if their content is relevant to shorter wavelengths. Submissions must be primarily concerned with and directly relevant to this spectral region.
Its core topics can be summarized as the generation, propagation and detection, of infrared radiation; the associated optics, materials and devices; and its use in all fields of science, industry, engineering and medicine.
Infrared techniques occur in many different fields, notably spectroscopy and interferometry; material characterization and processing; atmospheric physics, astronomy and space research. Scientific aspects include lasers, quantum optics, quantum electronics, image processing and semiconductor physics. Some important applications are medical diagnostics and treatment, industrial inspection and environmental monitoring.