Chemical Compositions of the Essential Oils from Stems, Leaves and Fruits of Artemisia tschernieviana and Exploring Quantitative Structure-Retention Relationships (QSRRs) for Prediction of Corresponding Retention Indices

Abstract

In the present work, volatile constituents from the dried stems, leaves and fruits of Artemisia tschernieviana obtained by hydrodistillation (HD), solvent-free microwave extraction (SFME) and headspace solid-phase microextraction (HS-SPME) techniques, were subsequently analyzed by means of GC and GC-MS instruments. It was concluded that approximately in all oils and volatiles, chemical compositions were mainly consisted of monoterpene hydrocarbons. However, in the stem oil and fruit volatiles isolated by SFME and HS-SPME methods, oxygenated monoterpenes and oxygenated sesquiterpenes were the most abundant constituting fractions. Additionally, the common major compounds in all essences and volatiles were recognized being β-pinene, cubenol, limonene, bornyl acetate and γ-terpinene. Moreover, a straightforward model has been developed to model the retention indices (RIs) of diverse natural compounds present in the obtained essential oils and volatile fractions basing on a quantitative structure-retention relationship (QSRR) approach. The promising statistical features associated with the linear built model (R2=0.978, Q2LOO =0.959, Q2LGO =0.934, F=321.60) confirm its high capability to forecast RIs with a negligible relative error of prediction (REP=1.95 %).