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Vol. 25 No. 8 (2013): Vol 25 Issue 8

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Chemical Composition of Essential Oil of Stachys pilifera Benth by Hydrodistillation, Head Space-Solid Phase Microextraction and Solvent Free Microwave Extraction Methods and QSRR Evaluation

https://doi.org/10.14233/ajchem.2013.13919
Parviz Aberoomand Azar
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Karim Zare
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Mohammad Saber-Tehrani
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Azizolah Jafari Kokhedan
Department of Biology, Basic Science Faculty, University of Yasouj, Yasouj, Iran
Azam Vafaei
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Mehdi Nekoei
Department of Chemistry, Shahrood Branch, Islamic Azad University, Shahrood, Iran

Corresponding Author(s) : Azam Vafaei

a.vafaei11@yahoo.com

Asian Journal of Chemistry, Vol. 25 No. 8 (2013): Vol 25 Issue 8

Abstract

Composition of the essential oils of Stachys pilifera (Lamiaceae) that obtained by hydrodistillation, solid phase microextraction and solvent free microwave extraction were analyzed by GC and GC/MS. In these methods cis-chrysanthenyl acetate was the main compound in the oils. The recognized compounds in the oil by hydrodistillation, solvent free microwave extraction and solid phase microextraction were depicted (92.52, 95.1 and 97.95 %) respectively. Furthermore, a simple, descriptive and interpretable model, based on a quantitative structure-retention relationship, was developed using the stepwise-multiple linear regression approach for the prediction of the retention indices of essential oil components. A MLR model with five selected descriptors was obtained. Then, the MLR model was validated using the leave-one-out (LOO) and leave-group-out (LGO) cross validation. This model, with high statistical significance (R2calibration = 0.953, F = 110.551, Q2LOO = 0.932, Q2LGO = 0.913 and R2prediction = 0.966) could predict the retention indices of the essential oils with a percentage prediction error lower than 3 %.

Keywords

Stachys pilifera Cis-chrysanthenyl acetate Lamiaceae Quantitative structure-retention relationship
Aberoomand Azar, P., Zare, K., Saber-Tehrani, M., Jafari Kokhedan, A., Vafaei, A., & Nekoei, M. (2013). Chemical Composition of Essential Oil of Stachys pilifera Benth by Hydrodistillation, Head Space-Solid Phase Microextraction and Solvent Free Microwave Extraction Methods and QSRR Evaluation. Asian Journal of Chemistry, 25(8), 4242–4246. https://doi.org/10.14233/ajchem.2013.13919
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