Fast Discrimination and Quantification Analysis of Atractylodis rhizoma Using NIR Spectroscopy Coupled with Chemometrics Tools
In this study, near-infrared (NIR) spectroscopy and high-performance liquid chromatography (HPLC) combined with chemometrics tools were applied for quick discrimination and quantitative analysis of different varieties and origins of Atractylodis rhizoma samples. Based on NIR data, orthogonal partial least squares discriminant analysis (OPLS-DA) and K-nearest neighbor (KNN) models achieved greater than 90% discriminant accuracy of the three species and two origins of Atractylodis rhizoma. Moreover, the contents of three active ingredients (atractyloxin, atractylone, and β-eudesmol) in Atractylodis rhizoma were simultaneously determined by HPLC. There are significant differences in the content of the three components in the samples of Atractylodis rhizoma from different varieties and origins. Then, partial least squares regression (PLSR) models for the prediction of atractyloxin, atractylone, and β-eudesmol content were successfully established. The complete Atractylodis rhizoma spectra gave rise to good predictions of atractyloxin, atractylone, and β-eudesmol content with R2 values of 0.9642, 0.9588, and 0.9812, respectively. Based on the results of this present research, it can be concluded that NIR is a great nondestructive alternative to be applied as a rapid classification system by the drug industry.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2024 |
|---|---|
| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:72 |
|---|---|
| Enthalten in: |
Journal of agricultural and food chemistry - 72(2024), 14 vom: 10. Apr., Seite 7707-7715 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Peng, Le [VerfasserIn] |
|---|
| Links: |
|---|
| Anmerkungen: |
Date Completed 11.04.2024 Date Revised 11.04.2024 published: Print-Electronic Citation Status MEDLINE |
|---|
| doi: |
10.1021/acs.jafc.3c08812 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM370197917 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM370197917 | ||
| 003 | DE-627 | ||
| 005 | 20240411232531.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 240327s2024 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1021/acs.jafc.3c08812 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1372.xml |
| 035 | |a (DE-627)NLM370197917 | ||
| 035 | |a (NLM)38530236 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Peng, Le |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Fast Discrimination and Quantification Analysis of Atractylodis rhizoma Using NIR Spectroscopy Coupled with Chemometrics Tools |
| 264 | 1 | |c 2024 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Completed 11.04.2024 | ||
| 500 | |a Date Revised 11.04.2024 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a In this study, near-infrared (NIR) spectroscopy and high-performance liquid chromatography (HPLC) combined with chemometrics tools were applied for quick discrimination and quantitative analysis of different varieties and origins of Atractylodis rhizoma samples. Based on NIR data, orthogonal partial least squares discriminant analysis (OPLS-DA) and K-nearest neighbor (KNN) models achieved greater than 90% discriminant accuracy of the three species and two origins of Atractylodis rhizoma. Moreover, the contents of three active ingredients (atractyloxin, atractylone, and β-eudesmol) in Atractylodis rhizoma were simultaneously determined by HPLC. There are significant differences in the content of the three components in the samples of Atractylodis rhizoma from different varieties and origins. Then, partial least squares regression (PLSR) models for the prediction of atractyloxin, atractylone, and β-eudesmol content were successfully established. The complete Atractylodis rhizoma spectra gave rise to good predictions of atractyloxin, atractylone, and β-eudesmol content with R2 values of 0.9642, 0.9588, and 0.9812, respectively. Based on the results of this present research, it can be concluded that NIR is a great nondestructive alternative to be applied as a rapid classification system by the drug industry | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Atractylodis rhizoma | |
| 650 | 4 | |a chemometrics | |
| 650 | 4 | |a high performance liquid chromatography | |
| 650 | 4 | |a near-infrared spectroscopy | |
| 650 | 4 | |a quality assessment | |
| 650 | 7 | |a Drugs, Chinese Herbal |2 NLM | |
| 650 | 7 | |a beta-eudesmol |2 NLM | |
| 650 | 7 | |a 473-15-4 |2 NLM | |
| 650 | 7 | |a Sesquiterpenes, Eudesmane |2 NLM | |
| 700 | 1 | |a He, Mulan |e verfasserin |4 aut | |
| 700 | 1 | |a Wang, Xi |e verfasserin |4 aut | |
| 700 | 1 | |a Guo, Shubo |e verfasserin |4 aut | |
| 700 | 1 | |a Zhang, Yazhong |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Wenlong |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Journal of agricultural and food chemistry |d 1967 |g 72(2024), 14 vom: 10. Apr., Seite 7707-7715 |w (DE-627)NLM000005665 |x 1520-5118 |7 nnns |
| 773 | 1 | 8 | |g volume:72 |g year:2024 |g number:14 |g day:10 |g month:04 |g pages:7707-7715 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1021/acs.jafc.3c08812 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 72 |j 2024 |e 14 |b 10 |c 04 |h 7707-7715 | ||