Xi Wang, Guangpu Fang, Jiahe Qian, Shule Zhang, Wen Song, Ying Zhang, Zheng Li, Yi Wang and Wenlong Li
{"title":"A study on the end-point determination of the Xuefu Zhuyu capsule raw powder mixing process based on near-infrared spectroscopy†","authors":"Xi Wang, Guangpu Fang, Jiahe Qian, Shule Zhang, Wen Song, Ying Zhang, Zheng Li, Yi Wang and Wenlong Li","doi":"10.1039/D4NJ04461D","DOIUrl":null,"url":null,"abstract":"<p >Near-infrared (NIR) spectroscopy technology combined with chemometric algorithms was used to determine the mixing end-point of Xuefu Zhuyu capsule raw powder and find the shortest mixing time. Firstly, a calibration set consisting of 18 batches of samples was used to establish invasive and non-invasive calibration models using a partial least squares regression (PLSR) method, and the influence on powder mixing uniformity was explored. Finally, moving block standard deviation (MBSD) was used to determine the mixing end-point. The predictive performance of invasive and non-invasive calibration models was relatively similar, each with its own advantages and disadvantages. The invasive model is more accurate, but the disadvantage is that it requires sampling midway, which disrupts the continuity of the mixing process. The non-invasive model is faster and does not cause waste of raw materials. It is difficult to determine the mixing end-point of each component using MBSD, but predicting the overall mixing end-point of powder is a simple and convenient method. The comprehensive properties of the powder were also used to further explain the mixing process. The non-invasive method established by combining NIR spectroscopy technology with PLSR was used to monitor the mixing process of Xuefu Zhuyu capsule raw powder materials, which is beneficial for industrial production process analysis.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 6","pages":" 2116-2128"},"PeriodicalIF":2.7000,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"New Journal of Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/nj/d4nj04461d","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Near-infrared (NIR) spectroscopy technology combined with chemometric algorithms was used to determine the mixing end-point of Xuefu Zhuyu capsule raw powder and find the shortest mixing time. Firstly, a calibration set consisting of 18 batches of samples was used to establish invasive and non-invasive calibration models using a partial least squares regression (PLSR) method, and the influence on powder mixing uniformity was explored. Finally, moving block standard deviation (MBSD) was used to determine the mixing end-point. The predictive performance of invasive and non-invasive calibration models was relatively similar, each with its own advantages and disadvantages. The invasive model is more accurate, but the disadvantage is that it requires sampling midway, which disrupts the continuity of the mixing process. The non-invasive model is faster and does not cause waste of raw materials. It is difficult to determine the mixing end-point of each component using MBSD, but predicting the overall mixing end-point of powder is a simple and convenient method. The comprehensive properties of the powder were also used to further explain the mixing process. The non-invasive method established by combining NIR spectroscopy technology with PLSR was used to monitor the mixing process of Xuefu Zhuyu capsule raw powder materials, which is beneficial for industrial production process analysis.