title: Molecular dynamics simulation of cytotoxicity of graphene nanosheets to blood-coagulation protein.
abstract: Graphene is a nanomaterial that is widely used in electronics, biomedicine, and drug-delivery systems. Although it has many industrial applications, the cytotoxicity of graphene has not been sufficiently studied. In this study, the authors used molecular dynamics simulation to investigate how a graphene nanosheet affects a blood-coagulation protein, namely, a tissue factor/FVIIa binary complex bound to a lipid bilayer membrane, in a 4:1 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine/1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-l-serine lipid bilayer mixture. Based on the results, the authors suggest a mechanism for the cytotoxicity of graphene nanosheets to blood-coagulation protein at the molecular level.
authors.affiliation: Department of Physics, Pukyong National University, Busan 608-737, South Korea.
authors.forename: Byeong Cheol
authors.initials: BC
authors.lastname: Jo
authors.affiliation: Department of Physics, Pukyong National University, Busan 608-737, South Korea.
authors.forename: Hyun Jung
authors.initials: HJ
authors.lastname: Yoon
authors.affiliation: Center for Biomaterials, Korea Institute of Science and Technology, Seoul 02792, South Korea.
authors.forename: Myoung-Ryul
authors.initials: MR
authors.lastname: Ok
authors.affiliation: Department of Physics, Pukyong National University, Busan 608-737, South Korea.
authors.forename: Sangwook
authors.initials: S
authors.lastname: Wu
mesh_terms: D005167:Factor VII / Q000378:metabolism*; D006108:Graphite / Q000633:toxicity*; D008051:Lipid Bilayers / Q000378:metabolism*; D056004:Molecular Dynamics Simulation; D049329:Nanostructures / Q000633:toxicity*; D011485:Protein Binding; D013925:Thromboplastin / Q000378:metabolism*
chemical_list: D008051:Lipid Bilayers; D006108:Graphite; D005167:Factor VII; D013925:Thromboplastin