Rapid discrimination and screening of volatile markers for varietal recognition of Curcumae Radix using ATR-FTIR and HS-GC-MS combined with chemometrics

Wang, Le; Li, Xiang; Wang, Yu; Ren, Xueyang; Liu, Xiaoyun; Dong, Ying; Ma, Jiamu; Song, Ruolan; Wei, Jing; Yu, Axiang; Fan, Qiqi; Shan, Dongjie; Yao, Jing; She, Gaimei

doi:10.1016/j.jep.2021.114422

Cited by 17 publications

(9 citation statements)

References 20 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The total ion chromatograms of RCL and RHCL volatile oils are shown in Figure 1 . By comparing the obtained mass spectra data with the NIST MS spectra database and previous literature data [ 6 , 33 , 37 , 38 , 39 ], we totally identified 45 compounds, mainly including monoterpenes, sesquiterpenes, and other types. Their chemical structures are shown in Figure 2 , and the compounds’ information and their peak area ratio in all tested samples are listed in Table 1 .…”

Section: Resultsmentioning

confidence: 99%

Comparative Analysis of Volatile Constituents in Root Tuber and Rhizome of Curcuma longa L. Using Fingerprints and Chemometrics Approaches on Gas Chromatography–Mass Spectrometry

et al. 2022

View full text Add to dashboard Cite

The root tuber and rhizome of Curcuma longa L., abbreviated, respectively, as RCL and RHCL, are used as different medicines in China. In this work, volatile oils were extracted from RCL and RHCL. Then, gas chromatography–mass spectrometry (GC–MS) was used for RCL and RHCL volatile oils analysis, and 45 compounds were identified. The dominant constituents both in volatile oils of RCL and RHCL were turmerone, (−)-zingiberene, and β-turmerone, which covered more than 60% of the total area. The chromatographic fingerprint similarities between RCL and RHCL were not less than 0.943, indicating that their main chemical compositions were similar. However, there were also some compounds that were varied in RCL and RHCL. Based on the peak area ratio of 45 compounds, the RCL and RHCL samples were separated into principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). Then, 20 compounds with a variable importance for the projection (VIP) value of more than 1 were the high potential contributors for RCL and RHCL differences. Furthermore, ferric ion-reducing antioxidant power (FRAP) assay results demonstrated that the volatile oils of RCL and RHCL had antioxidant activities. This study provided the material basis for the research of volatile components in RCL and RHCL and contributed to their further pharmacological research and quality control.

show abstract

Section: Resultsmentioning

confidence: 99%

Comparative Analysis of Volatile Constituents in Root Tuber and Rhizome of Curcuma longa L. Using Fingerprints and Chemometrics Approaches on Gas Chromatography–Mass Spectrometry

et al. 2022

View full text Add to dashboard Cite

show abstract

“…The peak near 1,247 and 1,156 cm -1 is assigned to C-O (esters, ethers, alcohol, and carboxylic acid) stretching vibration and C-N (aliphatic amine) stretching vibration. The fingerprint area at 1,000-400 cm −1 has the same pattern but different absorbance (Gad and Bouzabata, 2017;Rohaeti et al, 2015;Wang et al, 2021). The functional groups present in the samples and their relative abundance (absorbance values) with a hierarchical cluster analysis (HCA) model in the form of a heatmap are shown in Figure 2.…”

Section: Spectroscopy Characteristicsmentioning

confidence: 99%

FTIR-based fingerprinting combined with chemometrics method for rapid discrimination of Jatropha spp. (Euphorbiaceae) from different regions in South Sulawesi

Umar¹,

Syahruni²,

Ranteta’dung³

et al. 2022

J App Pharm Sci

View full text Add to dashboard Cite

Jatropha species is a medicinal plant commonly used as a traditional medicine and raw material for biodiesel. The classification, identification, and discrimination of these closely related Jatropha spp. are crucial to ensure the raw material's quality. This study developed an integrated method of Fourier transform infrared (FTIR) to explore functional groups' information between Jatropha species combined with multivariate statistical analysis. Jatropha curcas and Jatropha multifida were collected from different regions. FTIR profiles were used to obtain the holistic fingerprinting pattern combined with principal component analysis (PCA). After that, the orthogonal partial least square-discriminant analysis (OPLS-DA) and variable importance in the projection (VIP) were used to screen potential characteristic functional group (VIP > 1) in Jatropha spp. FTIR data analysis using chemometrics, PCA, and hierarchical cluster analysis (HCA) classified and differentiated the leaves and stem bark of the samples from different origins. The OPLS-DA reveals that functional groups identified to distinguish J. curcas and J. multifida, namely C-H and C-O with VIP value > 1, are the most important functional groups. In summary, this research presented rapid discrimination between J. curcas and J. multifida from different regions and can be used to identify and discriminate closely related plant species.

show abstract

“…Sesquiterpenoid was one of the most abundant types in Curcumae Radix. Baesd on the characteristic constituents including ar-Tumerone (Peak 62), β-caryophyllene (Peak 42) and α-curcumene (Peak 48), the Curcumae Radix in those ANP could be traced to Curcuma longa L. [14][15][16]. Furthermore, 32 volatile components in ANP could be sourced from Gardeniae Fructus, containing 10 fatty acids and their esters, 6 alkanes, 5 monoterpeneoids, 4 ketones, 3 aldehydes, 2 phenols, and 1 furan and 1 benzoate ester.…”

Section: Characterization Of Volatile Constituents In Anpmentioning

confidence: 99%

Comprehensive chemical profiling of volatile constituents of Angong Niuhuang Pill in vitro and in vivo based on gas chromatography coupled with mass spectrometry

Ding

Guo

et al. 2022

Chin Med

View full text Add to dashboard Cite

Background Angong Niuhuang Pill (ANP), a renowned precious traditional Chinese medicine prescription, is extensively utilized for the clinical treatment of stroke, meningitis and encephalorrhagia in China. As a classic resuscitation-inducing aromatic prescription, ANP has been investigated for its pharmacological effects in recent years, while the volatile composition in ANP still lacks comprehensive elucidation. Method To better explore the volatile constituents in ANP, a qualitative analysis method was developed based on gas chromatography coupled with mass spectrometry. Furthermore, a validated quantitative method was established to determine 21 main compounds in 8 batches of commercially available ANP samples by gas chromatography-tandem mass spectrometry. The quantitative data were successively subjected to Pearson correlation coefficient analysis. Additionally, the absorbed volatile constituents in rat plasma after single oral administration of ANP have also been characterized. Results A total of 93 volatile constituents including 29 sesquiterpenoids, 28 monoterpenoids, 13 fatty acids and their esters, 7 alkanes, 6 ketones, 3 phenols, 3 aldehydes, 2 benzoate esters, and 2 other types, were preliminarily characterized, which primarily originated from Borneolum, Moschus, Curcumae Radix, and Gardeniae Fructus. d-Borneol, isoborneol and muscone were the top three abundant ingredients (> 600 μg/g) in 8 batches of ANP samples. Subsequently, the average Pearson correlation coefficient of the contents of 21 analytes was 0.993, inferring the high batch-to-batch similarity among 8 batches. After oral administration of ANP, d-borneol, isoborneol, muscone and camphor were the main volatile constituents absorbed in the rat plasma. Conclusion This research may be helpful for the comprehensive quality control study of ANP, and provide for guarantee the clinical efficacy of ANP.

show abstract

Rapid discrimination and screening of volatile markers for varietal recognition of Curcumae Radix using ATR-FTIR and HS-GC-MS combined with chemometrics

Cited by 17 publications

References 20 publications

Comparative Analysis of Volatile Constituents in Root Tuber and Rhizome of Curcuma longa L. Using Fingerprints and Chemometrics Approaches on Gas Chromatography–Mass Spectrometry

Comparative Analysis of Volatile Constituents in Root Tuber and Rhizome of Curcuma longa L. Using Fingerprints and Chemometrics Approaches on Gas Chromatography–Mass Spectrometry

FTIR-based fingerprinting combined with chemometrics method for rapid discrimination of Jatropha spp. (Euphorbiaceae) from different regions in South Sulawesi

Comprehensive chemical profiling of volatile constituents of Angong Niuhuang Pill in vitro and in vivo based on gas chromatography coupled with mass spectrometry

Contact Info

Product

Resources

About