Yongli Bai, Xinguo Huang, Nan Peng, S. Zhang, Yunfei Zhong
{"title":"建立了一种利用可见和近红外光谱定量评价水性油墨可印刷性参数的方法","authors":"Yongli Bai, Xinguo Huang, Nan Peng, S. Zhang, Yunfei Zhong","doi":"10.1177/09670335231156471","DOIUrl":null,"url":null,"abstract":"Water-based inks are widely used in green packaging and printing. The printability parameters of water-based inks, such as viscosity (alcohol concentration (AC)) and color (toning additive concentration (toning yellow concentration/toning red concentration, TYC/TRC)), can only be controlled manually in many printing companies. The printability parameters of water-based inks with different additives were analyzed using spectral preprocessing, variable selection, and model-building methods with visible and near infrared (vis-NIR) spectral data (380∼980 nm). Model performance was compared using the root mean square error of cross-validation (RMSEC) and the coefficient of determination (R2). The results of the experiment indicate that the viscosity of the water-based inks can be quantitatively predicted using the principal component analysis and back propagation neural network model (PCA-BPNN) combined with Savitzky-Golay (SG) smoothing in the spectral subrange, which is superior to the PLS regression model. The R2c and r2p of the PCA-BPNN model were up to 0.998 and 0.993, and the RMSEC and RMSEP values obtained were 0.21 and 0.34. Similarly, the concentration of toning yellow and toning red can be quantitively predicted using the PCA-BPNN model combined with SG smoothing in the 617∼726 nm spectral range, which is better than iPLS regression model. These results indicate that the use of vis-NIR spectroscopy and chemometrics is a promising strategy, reliable for predicting the printability parameters of water-based inks, and provides the technical basis for subsequent implementation of online inspection.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Development of a quantitative method to evaluate the printability parameters of water-based ink using visible and near infrared spectroscopy\",\"authors\":\"Yongli Bai, Xinguo Huang, Nan Peng, S. Zhang, Yunfei Zhong\",\"doi\":\"10.1177/09670335231156471\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Water-based inks are widely used in green packaging and printing. The printability parameters of water-based inks, such as viscosity (alcohol concentration (AC)) and color (toning additive concentration (toning yellow concentration/toning red concentration, TYC/TRC)), can only be controlled manually in many printing companies. The printability parameters of water-based inks with different additives were analyzed using spectral preprocessing, variable selection, and model-building methods with visible and near infrared (vis-NIR) spectral data (380∼980 nm). Model performance was compared using the root mean square error of cross-validation (RMSEC) and the coefficient of determination (R2). The results of the experiment indicate that the viscosity of the water-based inks can be quantitatively predicted using the principal component analysis and back propagation neural network model (PCA-BPNN) combined with Savitzky-Golay (SG) smoothing in the spectral subrange, which is superior to the PLS regression model. The R2c and r2p of the PCA-BPNN model were up to 0.998 and 0.993, and the RMSEC and RMSEP values obtained were 0.21 and 0.34. Similarly, the concentration of toning yellow and toning red can be quantitively predicted using the PCA-BPNN model combined with SG smoothing in the 617∼726 nm spectral range, which is better than iPLS regression model. These results indicate that the use of vis-NIR spectroscopy and chemometrics is a promising strategy, reliable for predicting the printability parameters of water-based inks, and provides the technical basis for subsequent implementation of online inspection.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2023-02-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1177/09670335231156471\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1177/09670335231156471","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Development of a quantitative method to evaluate the printability parameters of water-based ink using visible and near infrared spectroscopy
Water-based inks are widely used in green packaging and printing. The printability parameters of water-based inks, such as viscosity (alcohol concentration (AC)) and color (toning additive concentration (toning yellow concentration/toning red concentration, TYC/TRC)), can only be controlled manually in many printing companies. The printability parameters of water-based inks with different additives were analyzed using spectral preprocessing, variable selection, and model-building methods with visible and near infrared (vis-NIR) spectral data (380∼980 nm). Model performance was compared using the root mean square error of cross-validation (RMSEC) and the coefficient of determination (R2). The results of the experiment indicate that the viscosity of the water-based inks can be quantitatively predicted using the principal component analysis and back propagation neural network model (PCA-BPNN) combined with Savitzky-Golay (SG) smoothing in the spectral subrange, which is superior to the PLS regression model. The R2c and r2p of the PCA-BPNN model were up to 0.998 and 0.993, and the RMSEC and RMSEP values obtained were 0.21 and 0.34. Similarly, the concentration of toning yellow and toning red can be quantitively predicted using the PCA-BPNN model combined with SG smoothing in the 617∼726 nm spectral range, which is better than iPLS regression model. These results indicate that the use of vis-NIR spectroscopy and chemometrics is a promising strategy, reliable for predicting the printability parameters of water-based inks, and provides the technical basis for subsequent implementation of online inspection.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.