Theoretical Analysis of Hydrogen Bonds, Energy Distribution and Information in a 1 % Rosa damascena Mill Oil Solution

Abstract

The method of Non-equilibrium Energy Spectrum (NES) was applied in measurement of hydrogen bonds energy distribution in 1% Rosa damscena L. oil solution in deionized water. Local maxima in this spectrum were identical with these obtained in investigations of other biologically active solutions and related to particular bio effects as follows: (-0.1387 eV; 8.95 µm; 1117 cm-1). This local maximum is typical for antibacterial, anti-tumor and anti-inflammatory effects. The local maxima at (-0.1212 eV; 10.23 µm; 978 cm-1) and (-0.1262 eV; 9.82 µm; 1018 cm-1) are typical for anti-inflammatory effects and this at (-0.1112 eV; 11.15 µm; 897 cm-1) is typical for effects on the nervous system and nerve conductivity. Information theoretical analysis was performed using the values of Shannon entropy and Transformational information entropy, pointing to hydrogen bonds distribution similarities between Rosa damscena L., V. myrtillus L. and Salvia divinorum Epling. The possible chemical causes of these similarities were identified as antioxidant activity and polyphenols concentration.