SIMULATION OF VINPOCETINE RELEASE PROCESS FROM MICROCAPSULES WITH HYDROPHOBIC SHELL

Yu A Polkovnikova,Yo S Karieva,I Yu Mikhailovskaya,A A Glushko

doi:10.19163/2307-9266-2017-5-4-344-367

Abstract

Nowadays microcapsules are widely spread in different industries. Microcapsules with vitamins, etheric and fatty oils are included into different cosmetics (creams, gels, serums). Microencapsulated probiotics are used in foods and fodder additives in veterinary. An important field of application of microencapsulation in pharmacy is the combination in the total dosage of drugs that are incompatible when mixed in free form. The aim of work is a comparative analysis of thermodynamic characteristics of vinpocetine release from the melt of beeswax and cacao butter 3:2 into water, solution of hydrochloric acid 0.01 M and ethanol. Materials and methods . For simulation of the process of vinpocetine release from the melt into different environments models component models of the studied systems were built and their atom charges were calculated by quantum-chemical method. Spatial models of the components were built in Hyper Chem 8.01. As an initial state for the thermodynamic characteristics of the calculation of vinpocetine release from the melt, a conformation of «melt-vinpocetine» system was used after thermodynamic equilibration by molecular dynamics simulation in Bioeurica program for 5 ns. For isolated systems a vibrational analysis was performed with the use of unrestricted Hartree-Fock method in STO-3G basis set in Orca 4.0 program. Results and discussion . Vinpocetine release from the melt of beeswax and cacao butter 3:2 into water with different pH values and to ethanol depends on its solubility in these environments, and also on solubility of the melt. Conclusion. The performed study of vinpocetine release from the melt of beeswax and cacao butter 3:2 by molecular dynamics simulation demonstrates the opportunity of vinpocetine release into water with pH=2 and into ethanol. The obtained results make it possible to assume a lower degree of vinpocetine release from the melt into ethanol compared with the solution of hydrochloric acid 0,01 M.

Highlights

Encapsulation is a process, while which the smallest particles of fluid, solid or gaseous active ingredients are packed into the second material for preserving them against environment [1,2]
As an example of selection of multicomponent system composition the work can be represented, in which simulation of cacao butter was performed by molecular dynamics method, hereby only three types of triglycerides were included in the mixture composition, fatty acids and many other minor components of oil were not included [25]
Vinpocetine release from the melt of beeswax and cacao butter 3:2 into water with pH = 2.0 is energetically advantageous process, and it is accompanied by increase of entropy, which indicates higher thermodynamic probability of the final state

Summary

Introduction

Encapsulation is a process, while which the smallest particles of fluid, solid or gaseous active ingredients are packed into the second material for preserving them against environment [1,2]. The choice of hydrophobic shell-matrix for microcapsules is based on the needed properties of microcapsules, for example, based on the purpose of microcapsules, the temperature of storage, etc. Preferable hydrophobic shell-matrix must have the melting temperature higher than 45°С, so that it could be stored at the room temperature. Any hydrophobic substance can be used if microcapsules are stored at the temperature lower than the melting temperature of hydrophobic substance[4]. Hydrophobic shell-matrix, or hydrophobic phase, can be selected from the group including fats, oils, waxes, resins, emulsifiers and their mixtures. Preferable hydrophobic shell-matrix, or hydrophobic phase, is selected from the group including animal fats and oils, fully or partially hydrated plant and animal oils / fats, unsaturated partially hydrated or fully hydrated free fatty acids, other emulsifiers, animal waxes, plant waxes, mineral waxes, synthetic waxes, natural and synthetic

Objectives

Methods

Results

Conclusion