Yasmin Lima Brasil, J.P. Cruz-Tirado, Douglas Fernandes Barbin
{"title":"用高光谱成像和便携式近红外光谱分析木薯淀粉和牛至精油制成的可生物降解薄膜","authors":"Yasmin Lima Brasil, J.P. Cruz-Tirado, Douglas Fernandes Barbin","doi":"10.1016/j.saa.2025.125857","DOIUrl":null,"url":null,"abstract":"<div><div>The plastics industry has been focusing on the substitution of natural raw materials into biodegradable plastics. Cassava starch-based (CS) films, incorporated with cellulose (CL) and oregano essential oil (OEO) are edible, biocompatible, odorless, tasteless, transparent and colorless. However, the study of the properties and characterization of these bioplastics requires extensive scientific and technical knowledge. In this context, the vibrational techniques in the NIR region stands out as one of the most promising due to its effective interaction with the chemical compounds present in polymer matrices. This work aims to compare the performance of near-infrared hyperspectral imaging (NIR-HSI) and near-infrared spectroscopy (NIRS), in combination with machine learning, to estimate the percentage and distribution of oregano essential oil on the surface of cassava starch-based bioplastics. The films structured with OEO exhibited higher relative humidity (RH) values than films without OEO, and film thickness was uniform across all formulations. Lightness values indicate that films with OEO and CL are darker, thus the opacity of the films increased with the addition the OEO. Partial Least Squares Regression (PLSR) and Support Vector Machine Regression (SVMR) were used to predict film composition, and Partial Least Squares-Discriminant Analysis (PLSDA) and Support Vector Machine Classification (SVMDA) were used for classification models. It was demonstrated that the SVM provides the best results for prediction and classification. NIR-HSI was successfully used to predict the amount of OEO on the surface of the films. However, for classification of film based on its composition, NIRS is a promising alternative as screening technique, as both NIR-HSI and NIRS can identify patterns responsible for the variations in the biodegradable polymers studied.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"332 ","pages":"Article 125857"},"PeriodicalIF":4.6000,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Analysis of biodegradable films made from cassava starch and oregano essential oil using hyperspectral imaging and portable NIR spectroscopy\",\"authors\":\"Yasmin Lima Brasil, J.P. Cruz-Tirado, Douglas Fernandes Barbin\",\"doi\":\"10.1016/j.saa.2025.125857\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The plastics industry has been focusing on the substitution of natural raw materials into biodegradable plastics. Cassava starch-based (CS) films, incorporated with cellulose (CL) and oregano essential oil (OEO) are edible, biocompatible, odorless, tasteless, transparent and colorless. However, the study of the properties and characterization of these bioplastics requires extensive scientific and technical knowledge. In this context, the vibrational techniques in the NIR region stands out as one of the most promising due to its effective interaction with the chemical compounds present in polymer matrices. This work aims to compare the performance of near-infrared hyperspectral imaging (NIR-HSI) and near-infrared spectroscopy (NIRS), in combination with machine learning, to estimate the percentage and distribution of oregano essential oil on the surface of cassava starch-based bioplastics. The films structured with OEO exhibited higher relative humidity (RH) values than films without OEO, and film thickness was uniform across all formulations. Lightness values indicate that films with OEO and CL are darker, thus the opacity of the films increased with the addition the OEO. Partial Least Squares Regression (PLSR) and Support Vector Machine Regression (SVMR) were used to predict film composition, and Partial Least Squares-Discriminant Analysis (PLSDA) and Support Vector Machine Classification (SVMDA) were used for classification models. It was demonstrated that the SVM provides the best results for prediction and classification. NIR-HSI was successfully used to predict the amount of OEO on the surface of the films. However, for classification of film based on its composition, NIRS is a promising alternative as screening technique, as both NIR-HSI and NIRS can identify patterns responsible for the variations in the biodegradable polymers studied.</div></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":\"332 \",\"pages\":\"Article 125857\"},\"PeriodicalIF\":4.6000,\"publicationDate\":\"2025-05-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142525001635\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/2/4 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525001635","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/4 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Analysis of biodegradable films made from cassava starch and oregano essential oil using hyperspectral imaging and portable NIR spectroscopy
The plastics industry has been focusing on the substitution of natural raw materials into biodegradable plastics. Cassava starch-based (CS) films, incorporated with cellulose (CL) and oregano essential oil (OEO) are edible, biocompatible, odorless, tasteless, transparent and colorless. However, the study of the properties and characterization of these bioplastics requires extensive scientific and technical knowledge. In this context, the vibrational techniques in the NIR region stands out as one of the most promising due to its effective interaction with the chemical compounds present in polymer matrices. This work aims to compare the performance of near-infrared hyperspectral imaging (NIR-HSI) and near-infrared spectroscopy (NIRS), in combination with machine learning, to estimate the percentage and distribution of oregano essential oil on the surface of cassava starch-based bioplastics. The films structured with OEO exhibited higher relative humidity (RH) values than films without OEO, and film thickness was uniform across all formulations. Lightness values indicate that films with OEO and CL are darker, thus the opacity of the films increased with the addition the OEO. Partial Least Squares Regression (PLSR) and Support Vector Machine Regression (SVMR) were used to predict film composition, and Partial Least Squares-Discriminant Analysis (PLSDA) and Support Vector Machine Classification (SVMDA) were used for classification models. It was demonstrated that the SVM provides the best results for prediction and classification. NIR-HSI was successfully used to predict the amount of OEO on the surface of the films. However, for classification of film based on its composition, NIRS is a promising alternative as screening technique, as both NIR-HSI and NIRS can identify patterns responsible for the variations in the biodegradable polymers studied.
期刊介绍:
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science.
The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments.
Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate.
Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to:
Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences,
Novel experimental techniques or instrumentation for molecular spectroscopy,
Novel theoretical and computational methods,
Novel applications in photochemistry and photobiology,
Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.