<abstract xmlns="http://www.w3.org/1999/xhtml">In the present work, we report the results of a spin trapping ESR study of four essential oils widely used for skin care products such as creams and bath salts. The studied essential oils are <italic>Rosmarini aetheroleum</italic> (rosemary), <italic>Menthae piperitae aetheroleum</italic> (mint), <italic>Lavandulae aetheroleum</italic> (lavender), and <italic>Thymi aetheroleum</italic> (thyme). Fenton reaction in the presence of ethanol was used to generate free radicals. The <italic>N</italic>-<italic>tert</italic>-butyl-α-phenylnitrone (PBN) was used as a spin trap. In the Fenton reaction, the rosemary oil had the lowest effect on radical adduct formation as compared to the reference Fenton system. Since essential oils are known to be lipid soluble, we also conducted studies of essential oils in Fenton reaction in the presence of lipids. Two model lipids were used, namely 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC). The obtained results suggested that in the presence of DOPC lipids, the •OH and PBN/•CHCH3(OH) radicals are formed in both phases, that is, water and lipids, and all the studied essential oils affected the Fenton reaction in a similar way. Whereas, in the DPPC system, the additional type of PBN/X (<italic>aN</italic> = 16.1 G, <italic>aH</italic> = 2.9 G) radical adduct was generated. DFT calculations of hyperfine splittings were performed at B3LYP/6-311+G(d,p)/EPR-II level of theory for the set of <italic>c</italic>-centered PBN adducts in order to identify PBN/X radical.</abstract>

In the present work, we report the results of a spin trapping ESR study of four essential oils widely used for skin care products such as creams and bath salts. The studied essential oils are Rosmarini aetheroleum (rosemary), Menthae piperitae aetheroleum (mint), Lavandulae aetheroleum (lavender), and Thymi aetheroleum (thyme). Fenton reaction in the presence of ethanol was used to generate free radicals. The N-tert-butyl-α-phenylnitrone (PBN) was used as a spin trap. In the Fenton reaction, the rosemary oil had the lowest effect on radical adduct formation as compared to the reference Fenton system. Since essential oils are known to be lipid soluble, we also conducted studies of essential oils in Fenton reaction in the presence of lipids. Two model lipids were used, namely 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC). The obtained results suggested that in the presence of DOPC lipids, the •OH and PBN/•CHCH3(OH) radicals are formed in both phases, that is, water and lipids, and all the studied essential oils affected the Fenton reaction in a similar way. Whereas, in the DPPC system, the additional type of PBN/X (aN = 16.1 G, aH = 2.9 G) radical adduct was generated. DFT calculations of hyperfine splittings were performed at B3LYP/6-311+G(d,p)/EPR-II level of theory for the set of c-centered PBN adducts in order to identify PBN/X radical.

Spin trapping studies of essential oils in lipid systems

Department of Physical Chemistry, Faculty of Pharmacy, Medical University of Warsaw, 1 Banacha Str., 02-097 Warsaw, Poland, Tel./Fax: +48 22 572 09 51

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This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

{"article-title":"Spin trapping studies of essential oils in lipid systems"}

In the present work, we report the results of a spin trapping ESR study of four essential oils widely used for skin care products such as creams and bath...

Spin trapping studies of essential oils in lipid systems

Pubblicato online: 06 ago 2015

Pagine: 461 - 468

Ricevuto: 24 set 2014

Accettato: 30 gen 2015

DOI: https://doi.org/10.1515/nuka-2015-0082

Parole chiave
spin trapping ESR, essential oils, DFT calculations, lipids

© Katerina Makarova et al.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Spin trapping studies of essential oils in lipid systems

Pubblicato online: 06 ago 2015

Pagine: 461 - 468

Ricevuto: 24 set 2014

Accettato: 30 gen 2015

DOI: https://doi.org/10.1515/nuka-2015-0082

Parole chiavespin trapping ESR, essential oils, DFT calculations, lipids

© Katerina Makarova et al.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Parole chiave
spin trapping ESR, essential oils, DFT calculations, lipids