Han Liu, Hubin Liu, Yao Fang, Ning Zhang, Yuhui Yuan, Longlian Zhao, Junhui Li
{"title":"基于典型样品和直接校准的近红外光谱法鉴别糯高粱和非糯高粱","authors":"Han Liu, Hubin Liu, Yao Fang, Ning Zhang, Yuhui Yuan, Longlian Zhao, Junhui Li","doi":"10.1177/09670335231153953","DOIUrl":null,"url":null,"abstract":"Sorghum has a long history of cultivation and is an important food and economic crop. It can be divided into glutinous and non-glutinous varieties according to the starch structure and content. Rapid discrimination between the two would help the winemaking, feed, and food industries complete purchase pricing, ingredients, and quality control. In this study, 38 different samples were acquired, including 14 glutinous and 24 non-glutinous sorghum samples. Near infrared (NIR) spectra of glutinous and non-glutinous sorghum, pre-treated using the standard normal variable (SNV) transformation were found to have slightly different absorbances in the combination and first overtone bands. Based on the distribution of the starch-related and hydrogen-containing groups in the NIR region, it was concluded that glutinous sorghum has more C-O and C-C groups than non-glutinous sorghum. This study proposes an approach based on typical samples and direct calibration (TSDC) for binary discrimination. The TSDC approach consists of three functions. First, typical samples of two types of samples were selected. Second, typical type samples are used as dependent variables, predicted samples are used as independent variables, and formula regression is used to obtain fitted coefficients. Finally, if the formula regression model has no solution or the fitted coefficient is 1, typical type samples are reselected. Using the TSDC approach, discrimination accuracy can achieve 100% accuracy at 0.5 threshold. A larger threshold can be set to select better type characteristic predicted samples for discrimination. The TSDC approach can build excellent model through real relevance between the NIR spectra and the properties of interest, and the use of typical type samples greatly reduces modeling work compared with complex pattern recognition methods, especially for highly varied agricultural products. Therefore, it can efficiently propel the application and development of NIR detection technology. More research is required to apply the TSDC approach to three types of samples.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":"31 1","pages":"70 - 79"},"PeriodicalIF":1.6000,"publicationDate":"2023-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Near infrared spectroscopy discriminates glutinous and non-glutinous sorghum using an approach based on typical samples and direct calibration\",\"authors\":\"Han Liu, Hubin Liu, Yao Fang, Ning Zhang, Yuhui Yuan, Longlian Zhao, Junhui Li\",\"doi\":\"10.1177/09670335231153953\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Sorghum has a long history of cultivation and is an important food and economic crop. It can be divided into glutinous and non-glutinous varieties according to the starch structure and content. Rapid discrimination between the two would help the winemaking, feed, and food industries complete purchase pricing, ingredients, and quality control. In this study, 38 different samples were acquired, including 14 glutinous and 24 non-glutinous sorghum samples. Near infrared (NIR) spectra of glutinous and non-glutinous sorghum, pre-treated using the standard normal variable (SNV) transformation were found to have slightly different absorbances in the combination and first overtone bands. Based on the distribution of the starch-related and hydrogen-containing groups in the NIR region, it was concluded that glutinous sorghum has more C-O and C-C groups than non-glutinous sorghum. This study proposes an approach based on typical samples and direct calibration (TSDC) for binary discrimination. The TSDC approach consists of three functions. First, typical samples of two types of samples were selected. Second, typical type samples are used as dependent variables, predicted samples are used as independent variables, and formula regression is used to obtain fitted coefficients. Finally, if the formula regression model has no solution or the fitted coefficient is 1, typical type samples are reselected. Using the TSDC approach, discrimination accuracy can achieve 100% accuracy at 0.5 threshold. A larger threshold can be set to select better type characteristic predicted samples for discrimination. The TSDC approach can build excellent model through real relevance between the NIR spectra and the properties of interest, and the use of typical type samples greatly reduces modeling work compared with complex pattern recognition methods, especially for highly varied agricultural products. Therefore, it can efficiently propel the application and development of NIR detection technology. 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Near infrared spectroscopy discriminates glutinous and non-glutinous sorghum using an approach based on typical samples and direct calibration
Sorghum has a long history of cultivation and is an important food and economic crop. It can be divided into glutinous and non-glutinous varieties according to the starch structure and content. Rapid discrimination between the two would help the winemaking, feed, and food industries complete purchase pricing, ingredients, and quality control. In this study, 38 different samples were acquired, including 14 glutinous and 24 non-glutinous sorghum samples. Near infrared (NIR) spectra of glutinous and non-glutinous sorghum, pre-treated using the standard normal variable (SNV) transformation were found to have slightly different absorbances in the combination and first overtone bands. Based on the distribution of the starch-related and hydrogen-containing groups in the NIR region, it was concluded that glutinous sorghum has more C-O and C-C groups than non-glutinous sorghum. This study proposes an approach based on typical samples and direct calibration (TSDC) for binary discrimination. The TSDC approach consists of three functions. First, typical samples of two types of samples were selected. Second, typical type samples are used as dependent variables, predicted samples are used as independent variables, and formula regression is used to obtain fitted coefficients. Finally, if the formula regression model has no solution or the fitted coefficient is 1, typical type samples are reselected. Using the TSDC approach, discrimination accuracy can achieve 100% accuracy at 0.5 threshold. A larger threshold can be set to select better type characteristic predicted samples for discrimination. The TSDC approach can build excellent model through real relevance between the NIR spectra and the properties of interest, and the use of typical type samples greatly reduces modeling work compared with complex pattern recognition methods, especially for highly varied agricultural products. Therefore, it can efficiently propel the application and development of NIR detection technology. More research is required to apply the TSDC approach to three types of samples.
期刊介绍:
JNIRS — Journal of Near Infrared Spectroscopy is a peer reviewed journal, publishing original research papers, short communications, review articles and letters concerned with near infrared spectroscopy and technology, its application, new instrumentation and the use of chemometric and data handling techniques within NIR.