Thin Layer of Cyclodextrins
on Graphene—MD Simulations
D. Makieła and Z. Gburski
1 Introduction
Graphene is a monolayer of tightly packed carbon hexagons forming honeycomb
lattice. It has attracted significant attention both in fundamental studies and advanced
applied research [1–11]. Here, we present the results of our research on graphene
sheet covered by β-cyclodextrin (βCD) molecules. The motivation was perspective
of future applications in nanotechnology, suggested in several experimental reports
[12–21]. The cyclic β-cyclodextrin molecule consists of seven (α-1,4)-linked α-dglucopyranose units. Due to the chair conformation of the glucopyranose, the βCD is
shaped like a truncated cone. In aqueous solutions, β-cyclodextrin can form inclusion
complexes with various drugs, by taking up a drug molecule into βCD central cavity.
This important and desirable feature of βCD underlies the widespread use of this
molecule in the pharmaceutical industry [22–27]. In our previous report [28], we
investigated the graphene sheet surrounded by β-cyclodextrin molecules, placed
in water. Now we present the molecular dynamics (MD) computer simulations of
β-cyclodextrin molecules locate on a graphene surface, with no water added. Our
preliminary studies reported here may contribute to future use of βCD decorated
graphene in nanotechnology.
D. Makieła · Z. Gburski (B)
Silesian Centre for Education and Interdisciplinary Research, Institute of Physics, University of
Silesia in Katowice, 75 Pułku Piechoty 1a, 41-500 Chorzów, Poland
e-mail: zygmunt.gburski@us.edu.pl
D. Makieła
e-mail: damian.makiela@smcebi.edu.pl
Z. Gburski
Katowice Institute of Information Technologies, Mickiewicza 29, 40-085 Katowice, Poland
© Springer Nature Switzerland AG 2021
O. Fesenko and L. Yatsenko (eds.), Nanomaterials and Nanocomposites,
Nanostructure Surfaces, and Their Applications, Springer Proceedings
in Physics 246, https://doi.org/10.1007/978-3-030-51905-6_20
255
on Graphene—MD Simulations
D. Makieła and Z. Gburski
1 Introduction
Graphene is a monolayer of tightly packed carbon hexagons forming honeycomb
lattice. It has attracted significant attention both in fundamental studies and advanced
applied research [1–11]. Here, we present the results of our research on graphene
sheet covered by β-cyclodextrin (βCD) molecules. The motivation was perspective
of future applications in nanotechnology, suggested in several experimental reports
[12–21]. The cyclic β-cyclodextrin molecule consists of seven (α-1,4)-linked α-dglucopyranose units. Due to the chair conformation of the glucopyranose, the βCD is
shaped like a truncated cone. In aqueous solutions, β-cyclodextrin can form inclusion
complexes with various drugs, by taking up a drug molecule into βCD central cavity.
This important and desirable feature of βCD underlies the widespread use of this
molecule in the pharmaceutical industry [22–27]. In our previous report [28], we
investigated the graphene sheet surrounded by β-cyclodextrin molecules, placed
in water. Now we present the molecular dynamics (MD) computer simulations of
β-cyclodextrin molecules locate on a graphene surface, with no water added. Our
preliminary studies reported here may contribute to future use of βCD decorated
graphene in nanotechnology.
D. Makieła · Z. Gburski (B)
Silesian Centre for Education and Interdisciplinary Research, Institute of Physics, University of
Silesia in Katowice, 75 Pułku Piechoty 1a, 41-500 Chorzów, Poland
e-mail: zygmunt.gburski@us.edu.pl
D. Makieła
e-mail: damian.makiela@smcebi.edu.pl
Z. Gburski
Katowice Institute of Information Technologies, Mickiewicza 29, 40-085 Katowice, Poland
© Springer Nature Switzerland AG 2021
O. Fesenko and L. Yatsenko (eds.), Nanomaterials and Nanocomposites,
Nanostructure Surfaces, and Their Applications, Springer Proceedings
in Physics 246, https://doi.org/10.1007/978-3-030-51905-6_20
255