title: Opening of the blood-brain barrier tight junction due to shock wave induced bubble collapse: a molecular dynamics simulation study.
abstract: Passage of a shock wave across living organisms may produce bubbles in the blood vessels and capillaries. It was suggested that collapse of these bubbles imposed by an impinging shock wave can be responsible for the damage or even destruction of the blood-brain barrier. To check this possibility, we performed molecular dynamics computer simulations on systems that contained a model of tight junction from the blood-brain barrier. In our model, we represent the tight junction by two pairs of interacting proteins, claudin-15. Some of the simulations were done in the absence of a nanobubble, some in its presence. Our simulations show that when no bubble is present in the system, no damage to tight junction is observed when the shock wave propagates across it. In the presence of a nanobubble, even when the impulse of the shock wave is relatively low, the implosion of the bubble causes serious damage to our model tight junction.
authors.affiliation: †Department of Biochemistry and Biophysics and Program in Molecular and Cellular Biophysics, and ‡Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
authors.forename: Ardeshir
authors.initials: A
authors.lastname: Goliaei
authors.affiliation: †Department of Biochemistry and Biophysics and Program in Molecular and Cellular Biophysics, and ‡Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
authors.forename: Upendra
authors.initials: U
authors.lastname: Adhikari
authors.affiliation: †Department of Biochemistry and Biophysics and Program in Molecular and Cellular Biophysics, and ‡Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
authors.forename: Max L
authors.initials: ML
authors.lastname: Berkowitz
mesh_terms: D015060:1,2-Dipalmitoylphosphatidylcholine / Q000031:analogs & derivatives / Q000737:chemistry; D001753:Blast Injuries / Q000503:physiopathology*; D001812:Blood-Brain Barrier / Q000378:metabolism*; D002199:Capillary Permeability / Q000502:physiology*; D057167:Claudins / Q000378:metabolism*; D008051:Lipid Bilayers / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D049329:Nanostructures; D011312:Pressure; D019108:Tight Junctions / Q000378:metabolism*; D014867:Water
chemical_list: D057167:Claudins; D008051:Lipid Bilayers; C459596:claudin 15; D014867:Water; D015060:1,2-Dipalmitoylphosphatidylcholine; C081581:colfosceril palmitate
keywords: Blood-brain barrier; cavitation effect; claudin protein; shock wave; tight junction; traumatic brain injury