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Explore the unified continuum theory in biological solutions, focusing on processes like contraction, metabolism, transcription, and fertilization. Study crystal structures of various biological ion channels and investigate the steric and correlation aspects of the Poisson-Nernst-Planck-Fermi model. Compare experiments on calcium and sodium ion channels, and learn about the stoichiometry of the sodium/calcium exchanger.
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Jinn-Liang Liu National Hsinchu University of Education, Taiwan Joint with Bob Eisenberg Rush University Medical Center, Chicago Sept. 15, 2015 2015 MBI Visitors’ Seminar Ohio State University Biological Solutions Are Not Ideal: a Fermi Treatment 1
Unified Continuum Theory? Flow: From Meter to Angstrom Life’s Processes: Contraction, Metabolism, Transcription, Fertilization, etc.
Biological Ion Channels (Crystal Structures) • Gramicidin A • Sodium/Calcium Exchanger (NCX) • Transient Receptor Potential Channel (TRPV1) • Voltage-Gated Calcium Channel (CaVAb) • Potassium Channel (KcsA) • We are working on these channel structures from • Protein Data Bank.
Poisson-Nernst*-Planck*-Fermi*(Steric & Correlation) Steric & Correlation in Poisson-Boltzmann: 100-Year Old Problems since Gouy (1910) & Chapman (1913) Historical Developments: Bjerrum (1918), Debye*-Huckel (1923), Stern* (1924), Onsager * (1936), Kirkwood (1939), Dutta-Bagchi (1950), Grahame (1950), Eigen*-Wicke (1954), Borukhov-Andelman-Orland (1997), Santangelo (2006), Eisenberg-Hyon-Liu (2010), Bazant-Storey-Kornyshev (2011), Wei-Zheng-Chen-Xia (2012) * Nobel Laureates Application: Multiscale flow in Bio, Chem, Phys, Nano Systems Challenge: Accuracy (vs Monte Carlo, Mol Dynam, Quant) 4
Fermi Distribution (Classical: Volume Exclusion) Different Valences Steric Potential New Different Sizes Saturation Condition Liu-Eisenberg (2014 JChemPhy) 5
Poisson-Nernst-Planck-Fermi Model Correlation New K Species Ions K+1: WaterK+2: Void Liu-Eisenberg (2014 JChemPhy) 6
Correlation Santangelo (2006 PhyRevE) Correlation Length Liu (2013 JCompPhy) Liu-Eisenberg (2013 JPhyChem) 7
Steric (Fermi Distribution) Liu-Eisenberg (2014 JChemPhy) 8
Charged Wall Models (vs MC) Solution: NaCl Solution: CaCl₂ Liu (2013 JCompPhy) Bazant et al (2011 PRL) Over-screening by PF (Correlation)Impossible by PB 9
Ca Channel (vs Experiment) Experiments: Almers, McCleskey, Palade (JPhysio 1984) Dielectric Function (Correlation) Liu-Eisenberg (2015 PhyRevE) 108–fold M Variation in [Ca2+] = 10
GA Channel (vs Experiment) Liu-Eisenberg (2015 PhyRevE) Mass Conservation? PB: No. PF: Yes. (Steric) 11
NCX (vs Experiment) Structure: J. Liao, ..., Y. Jiang (Science 2012) Ca Channel Stoichiometry: 3Na : 1Ca Na Channel 12