Quality Evaluation of Multi-index Key Quality Attributes of <italic style="font-style: italic">Rheum tanguticum</italic> by Near Infrared Spectroscopy Coupled with Chemometrics

FENG Dan; LUO Xi; ZANG Li-yan; LI Jia-min; SONG Xiao-ming; SUN Jing

doi:10.12452/j.fxcsxb.240619151

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Quality Evaluation of Multi-index Key Quality Attributes of Rheum tanguticum by Near Infrared Spectroscopy Coupled with Chemometrics

Scientific Papers | 更新时间：2024-11-26

- Quality Evaluation of Multi-index Key Quality Attributes of Rheum tanguticum by Near Infrared Spectroscopy Coupled with Chemometrics
- Journal of Instrumental Analysis Vol. 43, Issue 11, Pages: 1697-1708(2024)
- 作者机构：
  
  1.中国科学院西北高原生物研究所青海省青藏高原特色生物资源研究重点实验室与中国科学院藏药研究重点实验室，青海西宁 810008
  2.中国科学院大学，北京 100049
  3.青海民族大学药学院，青海西宁 810007
- 作者简介：
- 基金信息：
- DOI：10.12452/j.fxcsxb.240619151
  CLC： O657.3;R283
- Published：15 November 2024，
  
  Received：19 June 2024，
  
  Revised：20 July 2024，
- 稿件说明：
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冯丹,罗西,臧利艳,李佳敏,宋晓铭,孙菁.唐古特大黄多指标关键质量属性近红外光谱评价研究[J].分析测试学报,2024,43(11):1697-1708.

FENG Dan,LUO Xi,ZANG Li-yan,LI Jia-min,SONG Xiao-ming,SUN Jing.Quality Evaluation of Multi-index Key Quality Attributes of Rheum tanguticum by Near Infrared Spectroscopy Coupled with Chemometrics[J].Journal of Instrumental Analysis,2024,43(11):1697-1708.
冯丹,罗西,臧利艳,李佳敏,宋晓铭,孙菁.唐古特大黄多指标关键质量属性近红外光谱评价研究[J].分析测试学报,2024,43(11):1697-1708. DOI： 10.12452/j.fxcsxb.240619151.

FENG Dan,LUO Xi,ZANG Li-yan,LI Jia-min,SONG Xiao-ming,SUN Jing.Quality Evaluation of Multi-index Key Quality Attributes of Rheum tanguticum by Near Infrared Spectroscopy Coupled with Chemometrics[J].Journal of Instrumental Analysis,2024,43(11):1697-1708. DOI： 10.12452/j.fxcsxb.240619151.

摘要

利用近红外光谱技术，构建了唐古特大黄药材多个关键质量属性的快速评价方法。按照中国药典与日本药典方法，分别测定唐古特大黄中水分、灰分、浸出物、结合蒽醌、游离蒽醌、番泻苷A与番泻苷B七个关键质量属性的含量，结果均符合药典规定的标准，样品含水量较低，有助于药材贮存，番泻苷A与番泻苷B的含量较高，说明唐古特大黄具有较好泻下作用的物质基础。同时，利用隶属函数、主成分分析与相关分析对其质量进行综合评价，发现不同活性成分的含量之间存在较大相关性，而灰分、含水量与部分活性成分呈现负相关，为确保唐古特大黄药材的品质，需要控制含水量与灰分的范围。在此基础上，采用近红外光谱技术结合化学计量学方法，通过优化异常值剔除、预处理方法、建模波段等建模条件，建立了上述包括隶属函数在内的8项评价指标的同步定量检测模型。在模型优化过程中，各检测指标的最佳建模条件均不相同。经优化后，以水分、番泻苷B的模型评价指标最优，残差预测偏差（RPD）值均大于6；番泻苷A、隶属函数值的模型指标次之，RPD值均大于3；浸出物、游离蒽醌的RPD值大于2，总灰分、总蒽醌的模型RPD值较低。外部验证结果显示，所有指标预测率均达到85%以上，其中水分、游离蒽醌、总蒽醌的预测率达到90%以上，说明所建模型对未知样品的预测能力较强。隶属函数值模型的成功建立，可以实现唐古特大黄综合品质的单模型快速评价。近红外光谱技术结合化学计量学方法可实现唐古特大黄品质中多指标关键质量属性的快速准确检测，为该药材的质量评价与控制提供技术支撑。

Abstract

To establish a rapid evaluation method for seven multi-index key quality attributes of an traditional Chinese medicine

Rheum tanguticum

using near infrared spectroscopy（NIR），the methodologies outlined in the Chinese and Japanese pharmacopoeias were performed. The contents of seven multi-index key quality attributes of

Rh. tanguticum

were determined respectively，including moisture，ash，extract，bound anthraquinone，free anthraquinone，sennoside A and sennoside B. The results showed that they were in accordance with the standards of the aboved pharmacopoeia. The low water content of the samples was conducive to the storage of medicinal materials. The contents of sennoside A and sennoside B presented high level，indicating that

Rh. tanguticum

had a material basis for good catharsis. At the same time，membership function，principal component analysis and correlation analysis were used to comprehensively evaluate its quality. It was revealed that a great correlation between the contents of different active components was found，while ash and water content exhibited a negative correlation with certain some components. In order to further ensure the quality of this herbal medicine，it is necessary to control the range of water content and ash content. Thus，a synchronous quantitative detection model for the aforementioned eight evaluation indices，including the mem

bership function，was established by integrating NIR with chemometrics and optimizing modeling conditions such as outlier elimination，preprocessing methods and modeling bands. In the process of model optimization，the optimal modeling conditions of each detection index were different. The evaluation metrics for water and sennoside B demonstrated the highest performance，with residual prediction deviation（RPD） values exceeding 6. The model indexes of sennoside A and membership function values were the second，and the RPD values were all greater than 3. The RPD values for extracts and free anthraquinones were above 2，while the model RPD values for total ash and total anthraquinones were comparatively lower. After external verification，the prediction rate of all indicators reached more than 85%，and the prediction rate of moisture，free anthraquinone and total anthraquinone reached more than 90%，indicating that the model had a strong prediction ability for unknown

Rh. tanguticum

samples. The successful establishment of the membership function value model facilitates the rapid and comprehensive quality evaluation of

Rh. tanguticum

. NIR combined with chemometrics methods can achieve the rapid and accurate detection of multi-index key quality attributes of

Rh. tanguticum

，and provide technical support for the quality evaluation and control of this medicinal material.

关键词

近红外光谱质量评价模型构建与优化多指标关键质量属性唐古特大黄

Keywords

near infrared spectrumquality evaluationmodel construction and optimizationmulti-index key quality attributeRheum tanguticum

references

Liu W L，Zhao J，Li Y H，He F Y，Liu Z J，Zhang X L，Ge J W. Chin. Tradit. Herb. Drugs（刘文龙，赵靖，李原华，贺福元，刘志军，张喜利，葛金文. 中草药），2021，52（3）：613-620.

Meng X S，Luo X，Jia M N，Bao Y R，Wang S，Li T J. Chin. Tradit. Herb. Drugs（孟宪生，罗曦，贾梦楠，包永睿，王帅，李天娇. 中草药），2023，54（22）：7281-7286.

Ma S C，Wang Y，Wei F. Chin. Pharm. J.（马双成，王莹，魏锋. 中国药学杂志），2023，58（1）：2-9.

Li X，Liu Y M，Wang S Y，Qi Z M，Dong S W，Liu S X. J. Anhui Agric. Sci. （荔霞，刘永明，王胜义，齐志明，董书伟，刘世祥. 安徽农业科学），2010，38（8）：4361-4363.

Wang S，Bao Y R，Li T J，Yang X X，Meng X S. J. Instrum. Anal. （王帅，包永睿，李天娇，杨欣欣，孟宪生. 分析测试学报），2021，40（1）：132-138.

Jamwal R，Amit，Kumari S，Balan B，Kelly S，Cannavan A，Singh D K. Spectrochim. Acta A，2021，244：118822.

Chu X L，Shi Y Y，Chen P，Li J Y，Xu Y P. J. Instrum. Anal. （褚小立，史云颖，陈瀑，李敬岩，许育鹏. 分析测试学报），2019，38（5）：603-611.

Huang Z W，Guo T，Huang W J，Li B，Xu H R，Ye C X，Yan S K，Xiao X，Luo G A. Chin. Tradit. Herb. Drugs（黄志伟，郭拓，黄文静，李冰，徐浩然，叶楚璇，严诗楷，肖雪，罗国安. 中草药），2022，53（20）：6328-6336.

Cao X X，Ren X L，Wang M，Wang L Z，Deng Y R. J. Chin. Med. Mater. （曹雪晓，任晓亮，王萌，王丽芝，邓雁如. 中药材），2021，44（2）：490-494.

Li H，Su J C，Ke H X，Yang B. Chin. J. Pharm. Anal. （李化，苏建春，柯华香，杨滨. 药物分析杂志），2015，35（3）：518-523.

Yan K W. Studies on the Quality Control of Panax Notoginseng Powder Decoction Pieces and the Extraction and Purification Technology of Panax Notoginseng Saponins. Chengdu：Chengdu University of Traditional Chinese Medicine（闫珂巍. 三七粉末饮片的质量控制及三七总皂苷提取纯化工艺研究. 成都：成都中医药大学），2016.

Chinese Pharmacopoeia Commission. Pharmacopoeia of the People's Republic of China. Beijing：China Medical Science Press（国家药典委员会. 中华人民共和国药典. 北京：中国医药科技出版社），2020：24-25.

Zhang Y H，Tie X Y，Feng Y P，Zhang W G，Wang D，Xin G X，Li Y. Pharmacol. Clin. Chin. Mater. Med. （张云鹤，帖晓燕，冯银平，张文广，王丹，辛国雄，李芸. 中药药理与临床），2021，37（4）：110-115.

Zhang L，Liu H Y，Qin L L，Zhang Z X，Wang Q，Zhang Q Q，Lu Z W，Wei S L，Gao X Y，Tu P F. J. Sep. Sci.，2015，38（3）：511-522.

Pham D Q，Ba D T，Dao N T，Choi G J，Vu T T，Kim J C，Giang T P L，Vu H D，Dang Q L. Ind. Crops Prod.，2017，108：442-450.

Cao L P，Du J L，Jia R，Ding W D，Jenny G，Xu P，Yin G J. J. Dalian Ocean Univ. （曹丽萍，杜金梁，贾睿，丁炜东，Jeney Galina，徐跑，殷国俊. 大连海洋大学学报），2020，35（5）：686-692.

Zhang T，Shi L，Li Y，Mu W，Zhang H M，Li Y，Wang X Y，Zhao W H，Qi Y H，Liu L N. J. Radiat. Res.，2021，62（1）：46-57.

Zhan S Y，Liang S W，Wang S M. Spectrosc. Lett.，2020，53（6）：435-447.

Zheng Q X，Wu H F，Guo J，Nan H J，Chen S L，Yang J S，Xu X D. Chin. Herb. Med.，2012，5（1）：9-32.

Zeng C，Lu M Y，Mo T T，Qin Y S，Huang M. Chin. Arch. Tradit. Chin. Med. （曾超，陆梅元，莫婷婷，覃艳淑，黄敏. 中华中医药学刊），2020，38（11）：47-52，263.

Japanese Pharmacopoeia. The Japanese Pharmacopoeia. Tokyo：Japan Ministry of Health and Welfare Press（日本药局方编辑委员会. 日本药典. 东京：日本厚生省出版社），2016：1344-1345.

Mohtashami L，Amiri M S，Ayati Z，Ramezani M，Jamialahmadi T，Emami S A，Sahebkar A. Adv. Exp. Med. Biol.，2021，1308：309-352.

Wang G，Jin X J，Zhang X L，Zhang D. GansuAgric. Sci. Technol.（王刚，晋小军，张秀玲，张丹. 甘肃农业科技），2013，12：29-31.

He J Q，Ouyang X M，Zhu J R，Du X，Ma X，He Y M，Ding Y H. Chin. Tradit. Pat. Med. （贺军权，欧阳晓玫，朱俊儒，杜兴，马潇，何英梅，丁永辉. 中成药），2007，1：88-91.

Lu G D，Li C Y，Wang H Z，Yang F D，Wang M W，Shen J Z. Chin. J. Inf. Tradit. Chin. Med. （陆国弟，李成义，王惠珍，杨扶德，王明伟，沈俊忠. 中国中医药信息杂志），2017，24（10）：57-63.

Wang H J，Lü X X，Zou J D，Wang F，Zhang X D. J. West. Tradit. Chin. Med. （王红娟，吕小旭，邹家栋，王芳，张旭东. 西部中医药），2024，37（1）：13-16.

Zou Z W，Guo B J，Guo Y，Ma X L，Luo S S，Feng L L，Pan Z P，Deng L J，Pan S H，Wei J B，Su Z H. Food Chem.，2024，439：138142.

Ma D，Gu Z R，Gan Y W，Zhao K J，Guo M. J. Chin. Med. Mater. （马丹，顾志荣，甘玉伟，赵克加，郭玫. 中药材），2015，38（9）：1842-1845.

Min S G，Li N，Zhang M X. Spectrosc. Spectral Anal. （闵顺耕，李宁，张明祥. 光谱学与光谱分析），2004，24（10）：1205-1209.

Chang L，Zhai C，Qian C J，Shi X M，Zhang W W，Luo Y J，Zhang X L. Chin. J. Anim. Sci. （常莉，翟晨，钱承敬，史晓梅，张巍巍，罗云敬，张晓琳. 中国畜牧杂志），2024，60（1）：101-107.

Li H D，Liang Y Z，Xu Q S，Cao D S. Anal. Chim. Acta，2009，648（1）：77-84.

Fu J S，Yu H D，Chen Z，Yun Y H. Infrared Phys. Technol.，2022，125：104231.

Geng S Q，Fan Z S，Liu H，Zeng S，Zhang Y L，Dong A，Zhou Q，Sun S Q. Spectrosc. Spectral Anal. （耿淑琴，樊肇胜，刘豪，曾胜，张艳玲，董阿力德尔图，周群，孙素琴. 光谱学与光谱分析），2019，39（11）：3624-3628.

Li W L，Qu H B. Chin. Tradit. Herb. Drugs（李文龙，瞿海斌. 中草药），2012，43（8）：1531-1535.

Zhan H. Study on the Quantitative Analysis of Paeoniae Radix Rubraand other Chinese Herbal Medicine by Near Infrared Spectroscopy. Beijing：China Academy of Chinese Medical Sciences（战皓. 近红外光谱技术在赤芍等中药材中定量分析应用研究. 北京：中国中医科学院），2017.

Zhang S Y. Studies on Quality Control of Herbal Medicine in Yiqing Capsule Based on Near-infrared Spectroscopy. Hangzhou：Zhejiang University（张丝雨. 基于近红外光谱技术的一清胶囊原药材质量控制研究. 杭州：浙江大学），2020.

Yan Y L. Basis and Application of Near Infrared Spectroscopy Analysis. Beijing：China Petrochemical Press（严衍禄. 近红外光谱分析基础与应用. 北京：中国石化出版社），2000：174-175.

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Quality Evaluation of Multi-index Key Quality Attributes of Rheum tanguticum by Near Infrared Spectroscopy Coupled with Chemometrics

DOI：10.12452/j.fxcsxb.240619151

摘要

Abstract

关键词

Keywords

references