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Chemistry Education 2018
Journal of Organic & Inorganic Chemistry
ISSN: 2472-1123
Page 30
August 27-28, 2018
Zurich, Switzerland
8
th
Edition of International Conference on
Chemistry Education
and Research
C
omputational modeling at the molecular or atomic scale
can be very useful to obtain a better insight in plasma
medicine. Different atomic scale modeling approaches can
be used to study the direct interaction of plasma species
with biomolecules or the consequences of these interactions
for the biomolecules on a somewhat longer time‐scale. In
this work, molecular dynamics simulations are employed to
investigate the mechanisms of interactions between reactive
oxygen plasma species (H
2
O
2
, HOO, HO and O
2
) and native
skin membrane from an atomistic point of view. The result of
dynamic distribution study of reactive oxygen species, i.e. H
2
O
2
and O
2
revealed that, these species interact with cholesterol,
as one of the primary target in lipid-peroxidation of skin-
lipid bilayer. Moreover, the permeability of reaction oxygen
species, i.e. H
2
O
2
, HOO, HO, and O
2
along the skin-lipid bilayer
is measured by free energy profile. The result of free energy
profile shows that, these species in spite of high energy barrier
easily travel throughout the membrane. Thereby, breeching the
free energy barriers, these reactive oxygen species are able to
permeate into the cells, accordingly inflicting oxidative stress,
and might lead to apoptosis. Collectively, the insight acquired
from simulations may help in better understanding of the
oxidation stress at atomic level. Our simulation result provides
fundamental insights into the mechanisms underlying the
interactions between reactive oxygen plasma species and the
skin-lipid bilayer at the atomic level.
Biography
Dharmendra Kumar Yadav has completed his PhD in Biological Science
from CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow,
India and Postdoctoral studies from Hanyang University Korea and Univer-
sity of Delhi, India. He has worked as Young Scientist at All India Institute
of Medical Science Jodhpur, India. He has published more than 40 papers
in reputed journals, 03 Book Chapter and US Patent. He is presently work-
ing as a Research Professor at Gachon University of Medicine and Science,
Incheon city, Korea.
dharmendra30oct@gmail.comMolecular dynamics simulations of oxygen species in a native
skin membrane of interest for plasma medicine
Dharmendra Kumar Yadav, Surendra Kumar, Saloni
and
Mi-Hyun Kim
Gachon University of Medicine and Science, South Korea
Dharmendra Kumar Yadav et al., J Org Inorg Chem 2018, Volume 4
DOI: 10.21767/2472-1123-C5-014