Biomaterial Database

Nanoindentation of Graphene/Phospholipid Nanocomposite: A Molecular Dynamics Study. 2021

Vladislav V Shunaev, and Olga E Glukhova

Department of Physics, Saratov State University, 410012 Saratov, Russia.

Graphene and phospholipids are widely used in biosensing and drug delivery. This paper studies the mechanical and electronic properties of a composite based on two graphene flakes and dipalmitoylphosphatidylcholine (DPPC) phospholipid molecules located between them via combination of various mathematical modeling methods. Molecular dynamics simulation showed that an adhesion between bilayer graphene and DPCC increases during nanoindentation of the composite by a carbon nanotube (CNT). Herewith, the DPPC molecule located under a nanotip takes the form of graphene and is not destroyed. By the Mulliken procedure, it was shown that the phospholipid molecules act as a "buffer" of charge between two graphene sheets and CNT. The highest values of electron transfer in the graphene/DPPC system were observed at the lower indentation point, when the deflection reached its maximum value.

UI	MeSH Term	Description	Entries
D004583	Electrons	Stable elementary particles having the smallest known negative charge, present in all elements; also called negatrons. Positively charged electrons are called positrons. The numbers, energies and arrangement of electrons around atomic nuclei determine the chemical identities of elements. Beams of electrons are called CATHODE RAYS.	Fast Electrons,Negatrons,Positrons,Electron,Electron, Fast,Electrons, Fast,Fast Electron,Negatron,Positron
D006108	Graphite	An allotropic form of carbon that is used in pencils, as a lubricant, and in matches and explosives. It is obtained by mining and its dust can cause lung irritation.	Graphene
D013314	Stress, Mechanical	A purely physical condition which exists within any material because of strain or deformation by external forces or by non-uniform thermal expansion; expressed quantitatively in units of force per unit area.	Mechanical Stress,Mechanical Stresses,Stresses, Mechanical
D015060	1,2-Dipalmitoylphosphatidylcholine	Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.	Dipalmitoyllecithin,1,2-Dihexadecyl-sn-Glycerophosphocholine,1,2-Dipalmitoyl-Glycerophosphocholine,Dipalmitoyl Phosphatidylcholine,Dipalmitoylglycerophosphocholine,Dipalmitoylphosphatidylcholine,1,2 Dihexadecyl sn Glycerophosphocholine,1,2 Dipalmitoyl Glycerophosphocholine,1,2 Dipalmitoylphosphatidylcholine,Phosphatidylcholine, Dipalmitoyl
D053761	Nanocomposites	Nanometer-scale composite structures composed of organic molecules intimately incorporated with inorganic molecules. (Glossary of Biotechnology and Nanobiotechology Terms, 4th ed)	Nanocomposite
D056004	Molecular Dynamics Simulation	A computer simulation developed to study the motion of molecules over a period of time.	Molecular Dynamics Simulations,Molecular Dynamics,Dynamic, Molecular,Dynamics Simulation, Molecular,Dynamics Simulations, Molecular,Dynamics, Molecular,Molecular Dynamic,Simulation, Molecular Dynamics,Simulations, Molecular Dynamics
D037742	Nanotubes, Carbon	Nanometer-sized tubes composed mainly of CARBON. Such nanotubes are used as probes for high-resolution structural and chemical imaging of biomolecules with ATOMIC FORCE MICROSCOPY.	Buckytubes,Carbon Nanotubes,Nanoribbons,Buckytube,Carbon Nanotube,Nanoribbon,Nanotube, Carbon