Theoretical Studies of Essential Oil Components of Melissa officinalis L. Absorption on MWCNT

One of the important issues of herbal drugs chemistry is finding the methods of separatingand altering the dose of essential oil components. Melissa officinalis L. or Lemon balm is a member ofthe mint family, used in traditional medicine, for the treatment of headaches, indigestion, colic,nervousness, cardiac failure and depression. Lemon balm is also known as a hormonal herb due to itsantithyroid activity. The main components of wild Melissa officinalis L. obtained from the Kurdistanprovince of Iran were as follows: (E)-Citral (37.2%), Neral (23.9%), Citronellal (20.3%), cis-2H-3a-Methyl-octahydro-Inden-2-one (4.7%), Geranyl acetate (2.8%) and 3-Octanone (1.7), respectively. Dueto multi wall carbon Nano tubes (MWCNT) specific prosperities such as serving choices of being goodabsorbent materials; In this study, the application of MWCNT properties in the absorption of theMelissa officinalis L. The theoretical studies confirms that the vander Waals and/or π-π interactionsbetween MWCNT and 3-Octanone has stronger tendency to the absorption on MWCNT among theother components of the essential oil of Melissa officinalis L. because of distance with the wall of themodeled MWCNT.

Keywords:

Melissa officinalis L. , MWCNT , Essential Oil Components , QM-MM method , Absorption