DFT study of the antiradical properties of some aromatic compounds derived from antioxidant essential oils: C–H bond vs. O–H bond

2019 ◽  
Vol 53 (11-12) ◽  
pp. 1125-1134 ◽  
Author(s):  
Houssem Boulebd
2021 ◽  
pp. 211-217
Author(s):  
Irina Dement'yevna Zykova ◽  
Aleksandr Alekseyevich Efremov

The antiradical properties of essential oils from the inflorescences of Filipendula ulmaria (L). Maxim, herbages Hypericum perforatum L. and Pulmonaria mollis Wulfen ex HORNEM., growing on the territory of the Krasnoyarsk territory were studied. For this purpose, the reaction of essential oil components with a stable free 2,2-diphenyl-1-picrylhydrazyl radical was used. Essential oil of the plants under study received comprehensive hydroponically. The component composition of the oils was determined by chromatography-mass spectrometry. The main components of essential oil of F. ulmaria inflorescences are methyl salicylate (28.2%), salicylic aldehyde (2.8 %) and linalool (4.9%), essential oil of H. perforatum – γ - amorphene (30.7%), δ-cadinen (7.1%), (E, E)-β-farnesene (5.5%), caryophyllene (5.0%), ledol (5.0%), essential oil of P. mollis – di-n-butyl phthalate (18.7%), docosan (13.4%), tetracosan (11.6 %). The results of the DPPH test showed that the essential oils of the inflorescences of F. ulmaria and the aboveground part of H. perforatum and P. mollis exhibit antiradical activity (ARA). According to the size of the ARA of essential oils, the studied plants can be arranged in the following row: P. mollis > F. ulmaria > H. perforatum.


Molecules ◽  
2021 ◽  
Vol 26 (20) ◽  
pp. 6311
Author(s):  
Paulina J. Cázares-Samaniego ◽  
Claudia G. Castillo ◽  
Miguel A. Ramos-López ◽  
Marco M. González-Chávez

Ulomoides dermestoides are used as a broad-spectrum medical insect in the alternative treatment of various diseases. Preliminary volatilome studies carried out to date have shown, as the main components, methyl-1,4-benzoquinone, ethyl-1,4-benzoquinone, 1-tridecene, 1-pentadecene, and limonene. This work focused on the production of metabolites and their metabolic variations in U. dermestoides under stress conditions to provide additional valuable information to help better understand the broad-spectrum medical uses. To this end, VOCs were characterized by HS-SPME with PEG and CAR/PDMS fibers, and the first reported insect essential oils were obtained. In HS-SMPE, we found 17 terpenes, six quinones, five alkenes, and four aromatic compounds; in the essential oils, 53 terpenes, 54 carboxylic acids and derivatives, three alkynes, 12 alkenes (1-Pentadecene, EOT1: 77.6% and EOT2: 57.9%), 28 alkanes, nine alkyl disulfides, three aromatic compounds, 19 alcohols, three quinones, and 12 aldehydes were identified. Between both study approaches, a total of 171 secondary metabolites were identified with no previous report for U. dermestoides. A considerable number of the identified metabolites showed previous studies of the activity of pharmacological interest. Therefore, considering the wide variety of activities reported for these metabolites, this work allows a broader vision of the therapeutic potential of U. dermestoides in traditional medicine.


2013 ◽  
Vol 48 (6) ◽  
pp. 1106-1108 ◽  
Author(s):  
T. V. Il’ina ◽  
A. M. Kovaleva ◽  
O. V. Goryachaya ◽  
B. A. Vinogradov

2020 ◽  
Vol 2020 ◽  
pp. 1-13 ◽  
Author(s):  
Scott A. Johnson ◽  
Damian Rodriguez ◽  
Kathryn Allred

Aromatic compounds have a long history of use as medicines in most recorded cultures. An increasing interest in these therapeutic volatile molecules in both scientific and lay communities has led to the advancement of essential oils as phytomedicines. Recent discoveries suggest essential oils augment the endocannabinoid system in a positive manner to mitigate various pathologies. However, the exact mechanisms whereby essential oils influence endocannabinoid system activity are not fully known, these studies provide a glimpse into their involvement and warrant further evaluation. Additional study of the interaction between essential oils and the endocannabinoid system may lead to promising phytomedicines for the treatment of diseases and conditions involving dysregulation or activation of the endocannabinoid system.


2019 ◽  
Vol 32 (1) ◽  
pp. 36-40 ◽  
Author(s):  
Tran Thi Kim Ngan ◽  
Dinh Thi Thu Thuy ◽  
Tran Thi Tuyen ◽  
Cam Thi Inh ◽  
Hoang Thi Bich ◽  
...  

This study presents a chemometric study on agarwood (Aquilaria crassna) essential oils extracted from selected agarwood samples grown in various regions of Asia. Adopting gas chromatography-mass spectrometry (GC-MS) technique, it was revealed that essential oils, produced by hydrodistillation,constitutes mainly volatile aromatic compounds. Several major components are shared in all samples including dihydro-agarofuran-15-al, jinkoeremol, 10-epi-γ-eudesmol, agarospirol, valerianol, n-hexadecanoic acid, neopetasane and dihydrokaranone. Despite differences in composition, extraction yield and detected constituents found in analyzed samples, characteristic aromatic compounds were abundantly found in the Agarwood essential oil. These discrepancies could be due to cultivation season, climatic conditions and extraction methods. Unambiguous identification of components in agarwood essential oils thereby opens new potential in the application of high-value aromatic compounds in agarwood essential oil in cosmetic products, perfumes, and pharmaceuticals.


2017 ◽  
Vol 12 (2) ◽  
pp. 839-847 ◽  
Author(s):  
Rania Mhiri ◽  
Mona Kchaou ◽  
Sahla Belhadj ◽  
Abdelfattah El Feki ◽  
Noureddine Allouche

RSC Advances ◽  
2016 ◽  
Vol 6 (37) ◽  
pp. 30824-30834 ◽  
Author(s):  
Thi Chinh Ngo ◽  
Duy Quang Dao ◽  
Nguyen Minh Thong ◽  
Pham Cam Nam

The antioxidant properties of 21 non-phenolic terpenoids contained in essential oil extracted from the buds of Cleistocalyx operculatus have been investigated using density functional theory (DFT)-based computational methods.


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