{"title":"三维荧光结合化学计量学快速判别艾叶来源。","authors":"Kangyan Zhang , Yongshun Chen , Zhenxiang Yuan, Chenyang Guo, Wanjun Long, Haiyan Fu","doi":"10.1016/j.saa.2025.126926","DOIUrl":null,"url":null,"abstract":"<div><div>Artemisia Argyi Folium (AAF), as a prominent gynecological medicine in traditional medicine practice, is renowned for its effects in warming meridians to stop bleeding, dissipating cold and alleviating pain. It is frequently used to treat symptoms such as menstrual disorders and uterine cold infertility. The therapeutic efficacy and quality of AAF are significantly influenced by its geographical origin, leading to substantial regional variations. This study aims to establish an accurate and efficient method for discriminating the geographical origin of AAF by combining three-dimensional fluorescence technology with chemometrics. Initially, the PARAFAC algorithm was employed to comprehensively analyze the fluorescence fingerprint spectra of AAF samples. The fluorescence patterns observed in the AAF from five distinct origins exhibit comparable luminophore properties; however, their intensities vary. The presence of luminescent characteristics can likely be attributed to the chemical composition of AAF, with particular emphasis on flavonoids and polyphenols. To classify AAF samples by their geographical origin, several modeling approaches were utilized: U-PLS-DA, PLS-DA, and LDA. Significantly, the U-PLS-DA model demonstrated exceptional performance, achieving 100 % recognition accuracy for both the training and independent test sets, enabling precise differentiation among the five geographical locations. This research not only offers a dependable approach for origin identification of Artemisia Argyi Folium, ensuring the quality and efficacy of the herb, but also opens up new directions for provenance tracking studies of other Chinese medicinal materials, demonstrating broad application prospects and far-reaching impacts.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126926"},"PeriodicalIF":4.6000,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rapid discrimination of Artemisia Argyi Folium origin using three-dimensional fluorescence combined with Chemometrics\",\"authors\":\"Kangyan Zhang , Yongshun Chen , Zhenxiang Yuan, Chenyang Guo, Wanjun Long, Haiyan Fu\",\"doi\":\"10.1016/j.saa.2025.126926\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Artemisia Argyi Folium (AAF), as a prominent gynecological medicine in traditional medicine practice, is renowned for its effects in warming meridians to stop bleeding, dissipating cold and alleviating pain. It is frequently used to treat symptoms such as menstrual disorders and uterine cold infertility. The therapeutic efficacy and quality of AAF are significantly influenced by its geographical origin, leading to substantial regional variations. This study aims to establish an accurate and efficient method for discriminating the geographical origin of AAF by combining three-dimensional fluorescence technology with chemometrics. Initially, the PARAFAC algorithm was employed to comprehensively analyze the fluorescence fingerprint spectra of AAF samples. The fluorescence patterns observed in the AAF from five distinct origins exhibit comparable luminophore properties; however, their intensities vary. The presence of luminescent characteristics can likely be attributed to the chemical composition of AAF, with particular emphasis on flavonoids and polyphenols. To classify AAF samples by their geographical origin, several modeling approaches were utilized: U-PLS-DA, PLS-DA, and LDA. Significantly, the U-PLS-DA model demonstrated exceptional performance, achieving 100 % recognition accuracy for both the training and independent test sets, enabling precise differentiation among the five geographical locations. This research not only offers a dependable approach for origin identification of Artemisia Argyi Folium, ensuring the quality and efficacy of the herb, but also opens up new directions for provenance tracking studies of other Chinese medicinal materials, demonstrating broad application prospects and far-reaching impacts.</div></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":\"346 \",\"pages\":\"Article 126926\"},\"PeriodicalIF\":4.6000,\"publicationDate\":\"2025-09-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142525012338\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525012338","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Rapid discrimination of Artemisia Argyi Folium origin using three-dimensional fluorescence combined with Chemometrics
Artemisia Argyi Folium (AAF), as a prominent gynecological medicine in traditional medicine practice, is renowned for its effects in warming meridians to stop bleeding, dissipating cold and alleviating pain. It is frequently used to treat symptoms such as menstrual disorders and uterine cold infertility. The therapeutic efficacy and quality of AAF are significantly influenced by its geographical origin, leading to substantial regional variations. This study aims to establish an accurate and efficient method for discriminating the geographical origin of AAF by combining three-dimensional fluorescence technology with chemometrics. Initially, the PARAFAC algorithm was employed to comprehensively analyze the fluorescence fingerprint spectra of AAF samples. The fluorescence patterns observed in the AAF from five distinct origins exhibit comparable luminophore properties; however, their intensities vary. The presence of luminescent characteristics can likely be attributed to the chemical composition of AAF, with particular emphasis on flavonoids and polyphenols. To classify AAF samples by their geographical origin, several modeling approaches were utilized: U-PLS-DA, PLS-DA, and LDA. Significantly, the U-PLS-DA model demonstrated exceptional performance, achieving 100 % recognition accuracy for both the training and independent test sets, enabling precise differentiation among the five geographical locations. This research not only offers a dependable approach for origin identification of Artemisia Argyi Folium, ensuring the quality and efficacy of the herb, but also opens up new directions for provenance tracking studies of other Chinese medicinal materials, demonstrating broad application prospects and far-reaching impacts.
期刊介绍:
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science.
The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments.
Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate.
Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to:
Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences,
Novel experimental techniques or instrumentation for molecular spectroscopy,
Novel theoretical and computational methods,
Novel applications in photochemistry and photobiology,
Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.