Article(id=1322631303162343750, tenantId=1146029695717560320, journalId=1302319053441957962, issueId=1322631259684192984, articleNumber=null, orderNo=null, doi=10.7501j.issn.0253-2670.2026.19.007, pmid=null, cstr=null, oa=null, hot=0, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1775059200000, receivedDateStr=2026-04-02, revisedDate=null, revisedDateStr=null, acceptedDate=null, acceptedDateStr=null, onlineDate=1793269475974, onlineDateStr=2026-10-29, pubDate=null, pubDateStr=null, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1793269475974, onlineIssueDateStr=2026-10-29, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1793269475974, creator=13701087609, updateTime=1793269475974, updator=13701087609, issue=Issue{id=1322631259684192984, tenantId=1146029695717560320, journalId=1302319053441957962, year='2026', volume='57', issue='19', pageStart='7501', pageEnd='7928', issueExtLink='null', onlineDate='null', pubDate='1791734400000', pubDateStr='2026-10-12', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=1, specialIssue=null, createTime=1793269465608, creator='13701087609', updateTime=1793269554856, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1322631634101326494, tenantId=1146029695717560320, journalId=1302319053441957962, issueId=1322631259684192984, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1322631634101326495, tenantId=1146029695717560320, journalId=1302319053441957962, issueId=1322631259684192984, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=7560, endPage=7572, ext={EN=ArticleExt(id=1322631303619522888, articleId=1322631303162343750, tenantId=1146029695717560320, journalId=1302319053441957962, language=EN, title=Visualization research on mixing uniformity of Zhisou Qingguo Wan based on pixel unmixing, columnId=null, journalTitle=Chinese Traditional and Herbal Drugs, columnName=null, runingTitle=null, highlight=null, articleAbstract=Objective To achieve quality control during the production of Zhisou Qingguo Wan (ZQW, 止嗽青果丸), the pixel unmixing method from remote sensing was introduced into the uniformity evaluation of traditional Chinese medicine preparations, so as to visually analyze the mixing uniformity of medicinal powder and honey in ZQW. Methods Multiple preprocessing methods, including Savitzky-Golay (SG) smoothing, first derivative (1D), second derivative (2D), standard normal variate (SNV) and multiplicative scatter correction (MSC) were adopted to optimize spectral data and eliminate interferences such as background noise and spectral scattering. Based on pure substance spectra combined with the mixture tuned matched filtering (MTMF) algorithm, the abundance scores and mixture feasibility scores of target endmembers were integrated. Material abundance estimation and binarization at the pixel level of mixed samples were then performed, enabling the visualization of the spatial distribution of medicinal powders. Meanwhile, a residual network (ResNet) model was constructed for the prediction and pixel-level visualization of honey content. Results Compared with traditional quantitative models such as partial least squares regression (PLSR), multiple linear regression (MLR), ridge regression (RR), least absolute shrinkage and selection operator (Lasso), random forest (RF) and ElasticNet, the R2 of the prediction set was significantly improved from 0.837 6 to 0.931 1 with the proposed model. Conclusion The method combining pixel unmixing and deep learning intuitively presents the spatial distribution of medicinal raw materials and excipients in the preparation. A novel insight for the refined production and quality control of traditional Chinese medicine preparations is provided., authors=SHEN Tingting1, ZHU Jieqiang1, FANG Cuifen2, DONG Ting2, LUO Lei2, YAN Jizhong1, GONG Xingchu3, ZHANG Hui1, authorsList=SHEN Tingting, ZHU Jieqiang, FANG Cuifen, DONG Ting, LUO Lei, YAN Jizhong, GONG Xingchu, ZHANG Hui, authorCompany=1 College of Pharmaceutical Science, Zhejiang University of Technology, Hangzhou 310014, China;
2 Zhejiang Institute for Food and Drug Control, Hangzhou 310004, China;
3 School of Pharmacy, Zhejiang University, Hangzhou 310058, China, correspAuthors=null, authorNote=null, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1322631303531442503, articleId=1322631303162343750, tenantId=1146029695717560320, journalId=1302319053441957962, language=CN, title=基于像元解混的止嗽青果丸混合均匀度可视化研究, columnId=1304140189132149234, journalTitle=中草药, columnName=药剂与工艺, runingTitle=null, highlight=null, articleAbstract=目的 为实现止嗽青果丸生产过程的质量控制,将遥感领域的像元解混方法引入中药制剂的均匀度评价,以可视化分析止嗽青果丸粉末混合均匀度和蜂蜜混合均匀度。方法 采用SG平滑(Savitzky-Golay,SG)、一阶导数(first derivative,1D)、二阶导数(second derivative,2D)、标准正态变量变换(standard normal variate,SNV)、多元散射校正(multiplicative scatter correction,MSC)等多种预处理方法优化光谱数据,消除背景噪声等干扰。通过利用纯物质光谱,结合混合调谐匹配滤波解混(mixture tuned matched filtering,MTMF)算法,综合目标端元的丰度得分与混合可行性得分,对混合样本像素点进行物质丰度估计与二值化,从而实现药材粉末的空间分布可视化,进一步构建了残差网络(residual network,ResNet)模型对蜂蜜含量进行预测与像素级可视化。结果 ResNet模型与偏最小二乘回归(partial least squares regression,PLSR)、多元线性回归(multiple linear regression,MLR)、岭回归(ridge regression,RR)、最小绝对收缩和选择算子回归(least absolute shrinkage and selection operator,Lasso)、随机森林(random forest,RF)、ElasticNet等传统定量模型相比,预测集R²从0.837 6显著提升至0.931 1。结论 像元解混结合深度学习模型直观展示了药材原料与辅料在制剂中的空间分布,为中药制剂的精细化生产与质量控制提供了新思路。, authors=沈婷婷1, 朱捷强1, 方翠芬2, 董婷2, 罗镭2, 颜继忠1, 龚行楚3, 张慧1, authorsList=沈婷婷, 朱捷强, 方翠芬, 董婷, 罗镭, 颜继忠, 龚行楚, 张慧, authorCompany=1 浙江工业大学药学院, 浙江 杭州 310014;
2 浙江省食品药品检验研究院, 浙江 杭州 310004;
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江恩赐, 陈林, 颜继忠, 等. 智能高光谱成像融合CARS特征波段筛选快速检测硫熏牛膝SO2含量[J]. 中国中药杂志, 2022, 47(7): 1864-1870.
Sun Y Z, Zhang H X, Li Y F, et al. Integrating multimodal data fusion for comprehensive characterization, antioxidant marker discovery, and geographical origin tracing of Platycodonis Radix [J]. Food Chem, 2026, 507: 148231.
Zhang H, Zhu J Q, Shen T T, et al. Authenticity identification of Pinellia ternata based on hyperspectral imaging combined with spectral-texture multimodal data fusion strategy [J]. Microchem J, 2025, 218: 115133.
Sheng Y C, Hu X Q, He X W, et al. Hyperspectral BRDF based on UAV measurements can characterize optical properties of flat desert surfaces: A comprehensive comparison with laboratory and satellite data [J]. Remote Sens Environ, 2026, 334: 115228.
Medina-García M, Amigo J M, Martínez-Domingo M A, et al. Strategies for analysing hyperspectral imaging data for food quality and safety issues-A critical review of the last 5 years [J]. Microchem J, 2025, 214: 113994.
李梦, 周聪, 王慧, 等. 高光谱成像技术结合机器学习和特征波段筛选的识别人参年限研究[J]. 中草药, 2026, 57(5): 1887-1895.
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Gupta S, Kumar A, Garg R D, et al. Exploring Kolmogorov-Arnold networks for hyperspectral crop classification-An evaluative study [J]. Adv Space Res, 2026, 77(10): 10175-10193.
Xing W H, Wang X Q, Ma Z Y, et al. Rapid discrimination of Platycodonis Radix geographical origins using hyperspectral imaging and deep learning [J]. Optics, 2025, 6(4): 52.
王逸飞, 章烨雯, 王景雁, 等. 基于近红外化学成像技术的市售凝胶贴膏空间分布均匀性评价方法研究[J]. 中华中医药杂志, 2017, 32(4): 1830-1832.
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林玲, 张芳语, 张静, 等. 中药大品种制造关键质量属性表征: 空间分布均匀度属性的银杏叶片质量控制可视化方法研究[J]. 中国中药杂志, 2021, 46(7): 1616-1621.
Offroy M, Ayadi A, Govohetchan L, et al. Enhanced Raman hyperspectral imaging using RS-NMF: A novel regularized sparse non-negative matrix factorization for spectral unmixing [J]. Chemom Intell Lab Syst, 2026, 269: 105602.
Schmidt R W, Ariese F, Omidikia N. A comparison of multivariate curve resolution with endmember extraction methods in hyperspectral Raman imaging [J]. Spectrochim Acta A Mol Biomol Spectrosc, 2024, 323: 124868.
Huang B S, Li S H, Long T, et al. Research on predicting photosynthetic pigments in tomato seedling leaves based on near-infrared hyperspectral imaging and machine learning [J]. Microchem J, 2024, 204: 111076.
Wang J J, Huang T Z, Huang J, et al. A two-step iterative algorithm for sparse hyperspectral unmixing via total variation [J]. Appl Math Comput, 2021, 401: 126059.
廖志超, 徐冰, 唐雪芳, 等. 基于离散元法的桂枝茯苓胶囊仿真混合过程与在线监控点设计研究[J]. 中草药, 2025, 56(4): 1194-1201.
万娜, 林环玉, 伍振峰, 等. 基于中药粒子设计结合近红外光谱技术研究清润丸原料粉末的混合均匀性[J]. 中草药, 2020, 51(17): 4425-4432.)
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基于像元解混的止嗽青果丸混合均匀度可视化研究
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中草药 | 药剂与工艺 2026,57(19): 7560-7572
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中草药 |药剂与工艺 2026 , 57 (19) : 7560 -7572
基于像元解混的止嗽青果丸混合均匀度可视化研究
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沈婷婷1, 朱捷强1, 方翠芬2, 董婷2, 罗镭2, 颜继忠1, 龚行楚3, 张慧1
作者信息
    1 浙江工业大学药学院, 浙江 杭州 310014;
    2 浙江省食品药品检验研究院, 浙江 杭州 310004;
    3 浙江大学药学院, 浙江 杭州 310058
通讯作者:
张慧
作者简介:
沈婷婷: 沈婷婷,硕士研究生,研究方向为中药药效物质基础及质量评价。E-mail:stt718156428@163.com
Visualization research on mixing uniformity of Zhisou Qingguo Wan based on pixel unmixing
  • SHEN Tingting1, ZHU Jieqiang1, FANG Cuifen2, DONG Ting2, LUO Lei2, YAN Jizhong1, GONG Xingchu3, ZHANG Hui1
  • Affiliations
      1 College of Pharmaceutical Science, Zhejiang University of Technology, Hangzhou 310014, China;
      2 Zhejiang Institute for Food and Drug Control, Hangzhou 310004, China;
      3 School of Pharmacy, Zhejiang University, Hangzhou 310058, China
    doi: 10.7501j.issn.0253-2670.2026.19.007
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    目的 为实现止嗽青果丸生产过程的质量控制,将遥感领域的像元解混方法引入中药制剂的均匀度评价,以可视化分析止嗽青果丸粉末混合均匀度和蜂蜜混合均匀度。方法 采用SG平滑(Savitzky-Golay,SG)、一阶导数(first derivative,1D)、二阶导数(second derivative,2D)、标准正态变量变换(standard normal variate,SNV)、多元散射校正(multiplicative scatter correction,MSC)等多种预处理方法优化光谱数据,消除背景噪声等干扰。通过利用纯物质光谱,结合混合调谐匹配滤波解混(mixture tuned matched filtering,MTMF)算法,综合目标端元的丰度得分与混合可行性得分,对混合样本像素点进行物质丰度估计与二值化,从而实现药材粉末的空间分布可视化,进一步构建了残差网络(residual network,ResNet)模型对蜂蜜含量进行预测与像素级可视化。结果 ResNet模型与偏最小二乘回归(partial least squares regression,PLSR)、多元线性回归(multiple linear regression,MLR)、岭回归(ridge regression,RR)、最小绝对收缩和选择算子回归(least absolute shrinkage and selection operator,Lasso)、随机森林(random forest,RF)、ElasticNet等传统定量模型相比,预测集R²从0.837 6显著提升至0.931 1。结论 像元解混结合深度学习模型直观展示了药材原料与辅料在制剂中的空间分布,为中药制剂的精细化生产与质量控制提供了新思路。
    止嗽青果丸  /  高光谱  /  像元解混  /  混合均匀度  /  可视化
    Objective To achieve quality control during the production of Zhisou Qingguo Wan (ZQW, 止嗽青果丸), the pixel unmixing method from remote sensing was introduced into the uniformity evaluation of traditional Chinese medicine preparations, so as to visually analyze the mixing uniformity of medicinal powder and honey in ZQW. Methods Multiple preprocessing methods, including Savitzky-Golay (SG) smoothing, first derivative (1D), second derivative (2D), standard normal variate (SNV) and multiplicative scatter correction (MSC) were adopted to optimize spectral data and eliminate interferences such as background noise and spectral scattering. Based on pure substance spectra combined with the mixture tuned matched filtering (MTMF) algorithm, the abundance scores and mixture feasibility scores of target endmembers were integrated. Material abundance estimation and binarization at the pixel level of mixed samples were then performed, enabling the visualization of the spatial distribution of medicinal powders. Meanwhile, a residual network (ResNet) model was constructed for the prediction and pixel-level visualization of honey content. Results Compared with traditional quantitative models such as partial least squares regression (PLSR), multiple linear regression (MLR), ridge regression (RR), least absolute shrinkage and selection operator (Lasso), random forest (RF) and ElasticNet, the R2 of the prediction set was significantly improved from 0.837 6 to 0.931 1 with the proposed model. Conclusion The method combining pixel unmixing and deep learning intuitively presents the spatial distribution of medicinal raw materials and excipients in the preparation. A novel insight for the refined production and quality control of traditional Chinese medicine preparations is provided.
    Zhisou Qingguo Wan  /  hyperspectral  /  pixel unmixing  /  mixing uniformity  /  visualization
    沈婷婷, 朱捷强, 方翠芬, 董婷, 罗镭, 颜继忠, 龚行楚, 张慧. 基于像元解混的止嗽青果丸混合均匀度可视化研究. 中草药, 2026 , 57 (19) : 7560 -7572 . DOI: 10.7501j.issn.0253-2670.2026.19.007
    SHEN Tingting, ZHU Jieqiang, FANG Cuifen, DONG Ting, LUO Lei, YAN Jizhong, GONG Xingchu, ZHANG Hui. Visualization research on mixing uniformity of Zhisou Qingguo Wan based on pixel unmixing[J]. Chinese Traditional and Herbal Drugs, 2026 , 57 (19) : 7560 -7572 . DOI: 10.7501j.issn.0253-2670.2026.19.007

      国家自然科学基金项目 (82474048)

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    Saeed F, Liu S M, Liu Y L, et al. Hyperspectral image compression with deep learning: A review [J]. Signal Process, 2026, 239: 110270.
    Gupta S, Kumar A, Garg R D, et al. Exploring Kolmogorov-Arnold networks for hyperspectral crop classification-An evaluative study [J]. Adv Space Res, 2026, 77(10): 10175-10193.
    Xing W H, Wang X Q, Ma Z Y, et al. Rapid discrimination of Platycodonis Radix geographical origins using hyperspectral imaging and deep learning [J]. Optics, 2025, 6(4): 52.
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    Schmidt R W, Ariese F, Omidikia N. A comparison of multivariate curve resolution with endmember extraction methods in hyperspectral Raman imaging [J]. Spectrochim Acta A Mol Biomol Spectrosc, 2024, 323: 124868.
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