Rapid Discrimination of Aroma Components in Natural and Artificial Agarwood Incense by Static Headspace Sampling – Gas Chromatography – Mass Spectrometry (SHS-GC-MS) with Principal Component Analysis (PCA) and Partial Least Squares – Discrimination Analysis (PLS-DA)

Sun, Weijian; Wu, Shenghong; Zhu, Pengjian; Deng, Shijie; Zhou, Xin; Liu, Xiaohua; Zhao, Jun; Zhang, Weimin; Gao, Xiaoxia; Chen, Xiaoying

doi:10.1080/00032719.2022.2075006

Cited by 7 publications

(5 citation statements)

References 29 publications

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“…Compared with traditional GC-MS [22][23][24][25], GC×GC-TOFMS had a better separation ability that was used to solved the problems of co-elution of components, and provided more comprehensive and high-quality information for the complex aroma components. It was seen from Fig.…”

Section: Results Of Portable Gc-msmentioning

confidence: 99%

The portable GC-MS and HS/SPME-GC×GC-TOF MS-Based Analysis of the Difference of Citri Grandis Exocarpium from Different Regions

Huang,

Zhou,

et al. 2023

Preprint

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In this study, the portable GC-MS and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOF MS) combined with headspace solid-phase microextraction (HS/SPME) combined with chemometric were firstly used to analyze the volatile components of Citri Grandis Exocarpium that were from Huazhou (CGEH) and Guangxi (CGEG), respectively. The results from portable GC-MS only can identified some differences between samples. Compared with results from HS/SPME-GC×GC-TOF MS we found that portable GC-MS could not analyze the mark of CGEH.From identification of GC×GC-TOF MS we got that total 304 chemicals among which 261 were firstly reported were identified. Among them 52 compounds were only detected in CGEH, 81 were unique in CGEG and 171 were in both CGEH and CGEG. The volatile components in CGEH were classified into 17 and CGEG into 19 types. The contents of alkene aromatics, hydrocarbons and alcohols in both CGEH and CGEG were relatively high. These results fully demonstrated the detection ability of GC×GC-TOF MS. Principal Component Analysis (PCA) and Orthogonal Partial Least Squares (OPLS-DA) were performed. The results indicated that there was basically no difference from different batches of the same origin. However, there were obvious differences between CGEH and CGEG. 10 compounds in CGEH were screened out the values of |p(corr)|>0.9, |p|>0.06 and VIP value > 1.1. These results proved portable GC-MS could not find marks of Citri Grandis Exocarpium and GC×GC-TOF MS could find it.

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Section: Results Of Portable Gc-msmentioning

confidence: 99%

The portable GC-MS and HS/SPME-GC×GC-TOF MS-Based Analysis of the Difference of Citri Grandis Exocarpium from Different Regions

Huang,

Zhou,

et al. 2023

Preprint

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Section: Resultsmentioning

confidence: 99%

A HS/SPME-GC×GC-TOF MS-Based Analysis of the Difference of Citri Grandis Exocarpium from Different Regions

Li,

Wu,

et al. 2023

Preprint

View full text Add to dashboard Cite

In this study, a comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOF MS) combined with headspace solid-phase microextraction (HS/SPME) combined with chemometric was firstly used to analyze the volatile components of Citri Grandis Exocarpium that were from Huazhou (CGEH) and Guangxi (CGEG), respectively. The results from HS/SPME-GC×GC-TOF MS showed that total 304 chemicals among which 261 were firstly reported were identified. Among them 52 compounds were only detected in CGEH, 81 were unique in CGEG and 171 were in both CGEH and CGEG. The volatile components in CGEH were classified into 17 and CGEG into 19 types. The contents of alkene aromatics, hydrocarbons and alcohols in both CGEH and CGEG were relatively high. These results fully demonstrated the detection ability of GC×GC-TOF MS. Principal Component Analysis (PCA) and Orthogonal Partial Least Squares (OPLS-DA) were performed. The results indicated that there was basically no difference from different batches of the same origin. However, there were obvious differences between CGEH and CGEG. 10 compounds in CGEH were screened out the values of |p(corr)|>0.9, |p|>0.06 and VIP value > 1.1. These results could provide a helpful reference for the application of Citri Grandis Exocarpium.

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“…The use of PCA can simplify complex multivariate data systems, and more studies have reported its use in the study of TCM. Many studies have been reported on its use in the study of Chinese medicine and natural drugs [ 21 – 23 ]. In this study, the results of PCA showed that the order of influence of 10 components in the classification of raw and salt-processed RD was LA > DB > IA > IC > IB > LN > CA > DA > AVI > CaA.…”

Section: Discussionmentioning

confidence: 99%

Analysis of Quality Differences in Radix Dipsaci before and after Processing with Salt Based on Quantitative Control of HPLC Multi-Indicator Components Combined with Chemometrics

Wu,

Lv,

Tang

et al. 2024

International Journal of Analytical Chemistry

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Radix Dipsaci (RD) is the dry root of the Dipsacus asper Wall. ex DC., which is commonly used for tonifying the kidney and strengthening bone. The purpose of this study was to analyze the difference between raw and salt-processed RD from the chemical composition comprehensively. The fingerprints of raw and salt-processed RD were established by HPLC-DAD to determine the contents of loganin (LN), asperosaponin VI (AVI), caffeic acid (CaA), dipsanoside A (DA), dipsanoside B (DB), chlorogenic acid (CA), loganic acid (LA), isochlorogenic acid A (IA), isochlorogenic acid B (IB), and isochlorogenic acid C (IC). The results showed that after processing with salt, the components with increased contents were LA, CaA, DA, and AVI, and the components with decreased contents were CA, LN, IB, IA, IC, and DB. Then, the chemometric methods such as principal component analysis (PCA) and fisher discriminant analysis (FDA) were used to evaluate the quality of raw and salt-processed RD. In the classification of raw and salt-processed RD, the order of importance of each chemical component was LA > DB > IA > IC > IB > LN > CA > DA > AVI > CaA. These integrated methods successfully assessed the quality of raw and salt-processed RD, which will provide guidance for the development of RD as a clinical medication.

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Rapid Discrimination of Aroma Components in Natural and Artificial Agarwood Incense by Static Headspace Sampling – Gas Chromatography – Mass Spectrometry (SHS-GC-MS) with Principal Component Analysis (PCA) and Partial Least Squares – Discrimination Analysis (PLS-DA)

Cited by 7 publications

References 29 publications

The portable GC-MS and HS/SPME-GC×GC-TOF MS-Based Analysis of the Difference of Citri Grandis Exocarpium from Different Regions

The portable GC-MS and HS/SPME-GC×GC-TOF MS-Based Analysis of the Difference of Citri Grandis Exocarpium from Different Regions

A HS/SPME-GC×GC-TOF MS-Based Analysis of the Difference of Citri Grandis Exocarpium from Different Regions

Analysis of Quality Differences in Radix Dipsaci before and after Processing with Salt Based on Quantitative Control of HPLC Multi-Indicator Components Combined with Chemometrics

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