Determination of the Volatile Constituents in Radix Flemingiae Philippinensis by GC-MS and a Heuristic Evolving Latent Projection Method

Abstract

With the help of chemometric resolution methods, a technique for qualitative and quantitative determination of the volatile chemical constituents in Radix Flemingiae Philippinensis by chromatography-mass spectrometry was developed. After the overlapping chromatographic peaks were resolved into pure chromatograms and spectra using a heuristic evolving latent projections (HELP) method, qualitative analysis was performed by similarity search of the obtained pure mass spectrum of each component in the NIST library and the quantitative results were obtained by calculating the total two-way response volume. A total of 63 components were separated and 55 components were identified, accounting for 90.62% of the total content. The main components were farnesol isomer and β-caryophyllene, accounting for 31.33% and 12.60% of the total content, respectively. The obtained results can provide useful information for further study and development of Radix Flemingiae Philippinensis.

Discrimination of Acori Tatarinowii Rhizoma and Acori Calami Rhizoma based on quantitative gas chromatographic fingerprints and chemometric methods

“…When HELP was applied, two compounds, namely, eucalyptol and β‐ocimene, were acquired with similarities of 94 and 98.00%, respectively. Thus, HELP was suitable for such kind of problem . HELP focuses on selective information and uses full rank resolution to obtain the chromatographic and spectral profiles of the components.…”

“…Some of these methods include heuristic evolving latent projection (HELP) , evolving factor analysis , window factor analysis , and orthogonal projection approach . HELP efficiently extracts the chemical information and has been frequently applied to actual samples, such as TCMs and polycyclic aromatic hydrocarbons in air‐borne particulates. Retention index (RI) is also a beneficial supplement for qualitative analysis, especially for identifying isomers.…”