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

IF 4.6 2区 化学 Q1 SPECTROSCOPY Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-05-05 Epub Date: 2025-02-04 DOI:10.1016/j.saa.2025.125857
Yasmin Lima Brasil, J.P. Cruz-Tirado, Douglas Fernandes Barbin
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引用次数: 0

摘要

塑料行业一直致力于将天然原料替代为生物可降解塑料。木薯淀粉基(CS)薄膜,加入纤维素(CL)和牛至油(OEO)是可食用的,生物相容性,无臭,无味,透明和无色。然而,研究这些生物塑料的性质和特性需要广泛的科学和技术知识。在这种情况下,近红外区域的振动技术由于其与存在于聚合物基质中的化合物的有效相互作用而成为最有前途的技术之一。这项工作旨在比较近红外高光谱成像(NIR-HSI)和近红外光谱(NIRS)的性能,结合机器学习,估计牛至油在木薯淀粉基生物塑料表面的百分比和分布。与不含OEO的膜相比,含OEO的膜具有更高的相对湿度(RH),并且膜厚在所有配方中都是均匀的。亮度值表明,加入OEO和CL的膜颜色较深,因此随着OEO的加入,膜的不透明度增加。采用偏最小二乘回归(PLSR)和支持向量机回归(SVMR)预测薄膜成分,采用偏最小二乘判别分析(PLSDA)和支持向量机分类(SVMDA)作为分类模型。结果表明,支持向量机具有较好的预测和分类效果。NIR-HSI成功地预测了薄膜表面OEO的含量。然而,对于基于其成分的薄膜分类,近红外光谱是一种很有前途的筛选技术,因为NIR-HSI和近红外光谱都可以识别所研究的可生物降解聚合物变化的模式。
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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.
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
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.
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