Mass spectroscopic analysis, MNDO quantum chemical studies and antifungal activity of essential and recovered oil constituents of lemon-scented gum against three common molds

Abstract

The present study described the possibility of using wood-treated oil-fungicide of lemon-scented gum (Corymbia citriodora) from newly emerged leaves and unripened fruits against the infestation of Fusarium culmorum, Rhizoctonia solani and Penicillium chrysogenum. Air-dried wood samples of Melia azedarach were treated with the extracted oils from leaves and unripened fruits from C. citriodora. The main chemical constituents identified in the essential oil (EO) from leaves were citronellal (55.31%), citronellol (21.03%) and isopulegol (10.79%), while in unripened fruits were ff-pinene (17.86%), eudesmol (13.9%), limonene (9.19%), γ-terpinen (8.21%), and guaiol (7.88%). For recovered oils (ROs), the major components from leaves were D-limonene (70.23%), γ-terpinene (13.58%), β-pinene (2.40%) and isopregol (2.23%), while, 4-terpineol (21.35%), cis-β-terpineol, (19.33%), D-limonene (14.75%), and γ-terpinene (7.42%) represented the main components in fruits. EOs from leaves and fruits at the amounts of 100, 50 and 25 μL showed the highest inhibition percentage (IP) of 100% against F. culmorum and P. chrysogenum compared to control treatment, while at the amounts of 100, and 50 μL showed 100% IP of R. solani. Wood treated with ROs from leaves and fruits showed IPs of 96.66% and 93.33%, respectively, against the growth of R. solani. The mass spectra of the main components of C. citriodora leaves and fruits' EOs have been recorded in electron ionization mode at 70 eV and fragmentation has been reported and discussed. On the other hand, different quantum parameters such as the heat of formation, ionization energy total energy, binding energy, electronic energy and dipole moment using the modified neglect of diatomic overlap (MNDO) semi-empirical method have been calculated.