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Organic Chemistry 2018 Journal of Organic & Inorganic Chemistry
ISSN: 2472-1123 Page 37
August 16-17, 2018
Dublin, Ireland
6th Edition of International
Conference and Exhibition on
Organic Chemistry
Recent years much attention has been paid to the biofuel cells,
which are expected as the next generation portable, clean, and
safe chemical batteries that can be used even in a human body.
Glucose is one of the most promising energy resources of biomass
component used in a biofuel cell, because it is most abundantly
found monosaccharide in the field. Based on the recent report, the
enzymatic fuel cell has achieved ten times the energy storage of
lithium ion batteries. Meanwhile, in recent years the biodegradable
polymers are frequently used in the broad area, especially in the
medical treatment, e.g. surgical suture, cartilage support, and
capsules carrying drugs to the affected part. Poly Lactic acid
(L-acid) and Poly Glycolic acid (G-acid) are typical examples,
which resolute to L-acid and G-acid in a human body, respectively.
According to the recent literatures, the biofuel cells using L-acid
and G-acid have been constructed, which are expected to work in
a human body and/or on a human skin. In the cathode of biofuel
cells, e.g. glucose is oxidized to produce gluconolactone, as:
C2H12O6 → C6 H10O6 + 2H+ + 2e-.
Therefore, the glucose aqueous solution in the cathode of the
biofuel cell contains many constituents including buffer solute.
There are many molecular dynamics (MD) studies on glucose,
L-acid, and G-acid aqueous solution, however, few MD studies
have treated multi-component bio-molecule aqueous solutions.
Recent years, we have been engaged in many MD studies on multi-
component aqueous solutions including carbon dioxide, nitrate,
sulfate, and amino acid ion etc. In this study, as a serial work,
we wish to perform a simulation study on bio-molecule aqueous
solutions as a model of a cathode of biofuel cell. In the simulation
study, firstly, the structure and atomic charges of the constituents
of the solution, i.e. glucose etc., are optimized using Gaussian09 on
the basis of the density functional theory (DFT). Vibrational modes
of ions will be discussed based on the structure difference. The
transport properties, and thermodynamic properties of the solution
will be examined by MD. The dielectric properties of solutions in
various concentration of solutes will also be discussed.
Recent Publications
1. S Matsunaga (2017) Molecular dynamics study on
carbon dioxide absorbed potassium glycinate aqueous
solution. Journal of Solution Chemistry. 46(12):2268-
2280.
2. S Matsunaga (2018) Structure and transport properties
of AgI-AgCl-CsCl glasses: molecular dynamics study.
Ionics. 24(5):1371-1376.
3. S Matsunaga (2017) Effect of sulfate anion on the
structure and transport properties of seawater: A
molecular simulation study. Journal ofMolecular Liquids.
226:90-95.
4. S Matsunaga (2015) Effect of greenhouse gases
dissolved in seawater. International Journal of Molecular
Sciences. 17(1):45.
5. S Mastunaga (2014) Anomalous electrical properties in
superionic (AgxCu1-x)Br (x=0.5): ab initio study. Ionics.
21(1):161-166.
Biography
Shigeki Matsunaga pursued his Master’s Degree from Graduate School, Divi-
sion of Natural Science, Niigata University in 1983; PhD Degree on the experi-
mental and theoretical studies on compound forming liquid alloys at the same
university; graduated from the Faculty of Science, Saitama University in 1981.
He is a Professor of Physics at the National Institute of Technology, Nagao-
ka College. He is a Member of The Physical Society of Japan, The Japanese
Society for Neutron Science, The Molecular Simulation Society of Japan, The
Japan Association of Solution Chemistry, and The Physics Education Society
of Japan. He received Grant-in-Aid for Scientific Research (C) from The Japan
Society for the Promotion of Science: Project Year: Apr 2015 - Mar 2019, Apr
2010 - Mar 2013, and Apr 2005 - Mar 2009. His research interests include:
structure and transport properties of the aqueous solutions of bio-molecules
mainly used in a biofuel cell. Many MD studies on the structure, transport prop-
erties, and electric properties of themulti-component solid electrolytes, molten
salts, and liquid metal alloys have also been performed.
Simulation study on aqueous solutions of bio-molecules used in
biofuel cells
Shigeki Matsunaga
National Institute of Technology Nagaoka College, Japan
Shigeki Matsunaga, J Org Inorg Chem 2018, Volume 4
DOI: 10.21767/2472-1123-C4-012