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Study of chemical compound spatial distribution in biodegradable active films using NIR hyperspectral imaging and multivariate curve resolution
Journal of Chemometrics ( IF 2.4 ) Pub Date : 2019-11-26 , DOI: 10.1002/cem.3193
Larissa R. Terra 1, 2 , Jussara V. Roque 1 , Cícero C. Pola 3, 4 , Igor M. Gonçalves 1 , Nilda de Fátima F. Soares 3 , Reinaldo F. Teófilo 1
Affiliation  

A study of spatial distribution of the four different plasticizers and sorbic acid incorporated in cellulose acetate biodegradable films using near‐infrared hyperspectral imaging (NIR‐HSI) and multivariate curve resolution—alternating least squares (MCR‐ALS) is presented. A NIR‐HSI was acquired for each film. MCR‐ALS was applied to generate pure component distribution maps. A repeatability study was performed. The proposed method was able to recover the pure spectra of each film component accurately. The relative concentration vectors obtained by the MCR‐ALS were rebuilt in matrices, and it was possible to analyze the homogeneity of the film constituents based on macropixel analysis and homogeneity index. The NIR‐HSI imaging showed excellent repeatability. For the first time, a study detailing the distribution of chemical compounds incorporated into entire biodegradable films was possible by using NIR hyperspectral imaging combined with the MCR‐ALS method.

中文翻译:

使用近红外高光谱成像和多元曲线分辨率研究可生物降解活性薄膜中的化合物空间分布

介绍了使用近红外高光谱成像 (NIR-HSI) 和多元曲线分辨率 - 交替最小二乘法 (MCR-ALS) 研究醋酸纤维素可生物降解薄膜中四种不同增塑剂和山梨酸的空间分布。每个薄膜都获得了 NIR-HSI。应用 MCR-ALS 生成纯成分分布图。进行了重复性研究。所提出的方法能够准确地恢复每个薄膜成分的纯光谱。通过 MCR-ALS 获得的相对浓度向量在矩阵中重建,并且可以基于宏像素分析和均匀性指数分析膜成分的均匀性。NIR-HSI 成像显示出优异的重复性。首次,
更新日期:2019-11-26
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