Director of Research (if dissertation) or Advisor (if thesis)
Aksimentiev, Aleksei
Doctoral Committee Chair(s)
Selvin, Paul R.
Committee Member(s)
Tajkhorshid, Emad
Stack, John
Department of Study
Physics
Discipline
Physics
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Molecular transport
Nanopore
Biomolecule
Ion current
Filtration
Abstract
A detailed characterization of the physics of novel nanopore systems has the potential to revolutionize water filtration, nanofluidics, and biomolecule detection technologies. I give my characterizations of five nanopore systems as my dissertation. First, I present my study of nanopores in polyethylene terephthalate (PET), revealing the mechanism for variance in current rectification based on cation species. Second, I demonstrate the mechanism of selective probe capture in bacterial toxin protein α-hemolysin (aHL) using dielectrophoresis. Third, I introduce the first simulation of molecular artificial water channel pillar[5]arene (PAP) and uncover the mechanics of its water transport and self-aggregation properties. Fourth, I characterize the water permeability and ion rejection of truncated human membrane protein aquaporin-1 (AQP) in simulation. Finally, I present MD simulation of truncated AQP as a voltage-gated ionic diode and as the functional element of a double-membrane ionic pump.
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