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Journal of Materials Science and Nanotechnology | Volume 2
July 23-25, 2018 | Moscow, Russia
Materials Science and Engineering
International Conference on
Hard matter–soft matter interface: Molecular dynamics
Alexey A Tsukanov and Sergey G Psakhie
Institute of Strength Physics and Materials Science SB RAS, Russia
Recent outcomes of nanotechnology allow for the
development of multifunctional hierarchical nanoparticles
and their application in numerous fields, including biomedicine.
The use of hierarchicaly composed nanoparticles, possessing
both the biological action and contrast physical properties,
permits a combination of medical therapy and diagnostics
into one procedure. Such an approach forms the basis for
“theranostics” (therapy plus diagnostics), which is a rapidly
growing direction in modern medicine, especially in oncology.
As a rule, multifunctional nanoparticles with ahierarchical
structure comprise an inorganic carrier and a softbioactive part.
The formationmechanismand the stability of such nanohybrids
are determined by the effects within the soft matter–hard
matter interface. Moreover, the interaction of nanoparticles
with the cell membrane and the cellular uptake mechanism
are the result of interaction effects within the hard matter–soft
matter interface (HSI). Thus, the behavior of the subsystems at
the HSI can determine the behavior of the whole system. Such
heterogeneous interfaces are important and complex objects
for study. The use of the so-called in silico approach provides
a significant contribution to the comprehensive investigations
of the soft matter systems and the phenomena within the HSI.
The presentation is devoted to the use of numerical molecular
models to study the interaction between biological nanoobjects
and low-dimensional metal hydroxide nanostructures, which
lay the basis for the development of multifunctional hierarchical
nanoparticles for biomedical applications. The report consists
of two parts, including an introductory review on soft matter
systems, nanoceramics, hierarchical nanoparticles, and hybrid
systems with the HSI. The second part is a discussion of the
computer simulation outcomes obtained by our scientific group
for organic-inorganic heterogeneous systems with the HSI using
unbiased and steered molecular dynamics.
The work was financially supported by the Ministry of
Education and Science of the Russian Federation (Agreement
No. 14.604.21.0156, project identifier RFMEFI60417X0156).
Speaker Biography
Alexey A Tsukanov graduated from of the Physics Faculty (Dept. of Computer
Methods of Physics) of Lomonosov Moscow State University (MSU) in 2007. In
2006-2007 he participated in international project at the International Material
Institute for New Functionality in Glass, Lehigh (PA, USA). He completed his PhD at
the MSU and IPE RAS in 2010. After that he had a five-year long experience in the
oil&gas industry. In 2014-2016 he continued his researches as postdoc at the Skolkovo
Institute of Science and Technology (Skoltech), Skolkovo, Russia. Since 2016 Alexey
Tsukanov is scientific researcher at the Institute of Strength Physics and Materials
Science (ISPMS) SB RAS, Tomsk, Russia. He has over 40 publications that are cited
about 200 times. He serves as an editorial board member of ABioDeM journal.
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