Density Functional Theory for the Nonspecific Binding of Salt to Polyelectrolytes: Thermodynamic Properties  Chandra N. Patra, Arun Yethiraj  Biophysical.

Slides:



Advertisements
Similar presentations
Analysis of Kinetic Intermediates in Single-Particle Dwell-Time Distributions Daniel L. Floyd, Stephen C. Harrison, Antoine M. van Oijen Biophysical Journal.
Advertisements

Inhibitor Binding Increases the Mechanical Stability of Staphylococcal Nuclease Chien-Chung Wang, Tian-Yow Tsong, Yau-Heiu Hsu, Piotr E. Marszalek Biophysical.
Determination of the Interfacial Water Content in Protein-Protein Complexes from Free Energy Simulations Peter Monecke, Thorsten Borosch, Jürgen Brickmann,
A Gel Electrophoresis Study of the Competitive Effects of Monovalent Counterion on the Extent of Divalent Counterions Binding to DNA Anzhi Z. Li, Haiyan.
Cytoskeletal Polymer Networks: Viscoelastic Properties are Determined by the Microscopic Interaction Potential of Cross-links O. Lieleg, K.M. Schmoller,
Contrast Inversion in the Epifluorescence of Cholesterol-Phospholipid Monolayers T.M. Okonogi, H.M. McConnell Biophysical Journal Volume 86, Issue 2, Pages.
A Hydrodynamic Model for Hindered Diffusion of Proteins and Micelles in Hydrogels Ronald J. Phillips Biophysical Journal Volume 79, Issue 6, Pages
Lever-Arm Mechanics of Processive Myosins Yujie Sun, Yale E. Goldman Biophysical Journal Volume 101, Issue 1, Pages 1-11 (July 2011) DOI: /j.bpj
Mesoscale Simulation of Blood Flow in Small Vessels Prosenjit Bagchi Biophysical Journal Volume 92, Issue 6, Pages (March 2007) DOI: /biophysj
Analytical Solutions of Poisson's Equation for Realistic Geometrical Shapes of Membrane Ion Channels Serdar Kuyucak, Matthew Hoyles, Shin-Ho Chung Biophysical.
Charged Polymers Modulate Retrovirus Transduction via Membrane Charge Neutralization and Virus Aggregation Howard E. Davis, Matthew Rosinski, Jeffrey R.
Nonlinear Poisson Equation for Heterogeneous Media Langhua Hu, Guo-Wei Wei Biophysical Journal Volume 103, Issue 4, Pages (August 2012) DOI: /j.bpj
Membrane Physical Chemistry - II
Sandro Keller, Heiko Heerklotz, Nadin Jahnke, Alfred Blume 
Mehdi Bagheri Hamaneh, Matthias Buck  Biophysical Journal 
Kelly Gallagher, Kim Sharp  Biophysical Journal 
Ining Jou, Murugappan Muthukumar  Biophysical Journal 
Osmotic Shock and the Strength of Viral Capsids
Sensitivity, Specificity, and the Hybridization Isotherms of DNA Chips
Role of Hydration Water in Protein Unfolding
Computer Simulation of Small Molecule Permeation across a Lipid Bilayer: Dependence on Bilayer Properties and Solute Volume, Size, and Cross-Sectional.
Heat Capacity Effects on the Melting of DNA. 1. General Aspects
Role of ATP-Hydrolysis in the Dynamics of a Single Actin Filament
Lorenzo Cordone, Michel Ferrand, Eugenio Vitrano, Giuseppe Zaccai 
Predicting Ion Binding Properties for RNA Tertiary Structures
Volume 84, Issue 6, Pages (June 2003)
Precipitation of DNA by Polyamines: A Polyelectrolyte Behavior
Stretching Single-Stranded DNA: Interplay of Electrostatic, Base-Pairing, and Base-Pair Stacking Interactions  Yang Zhang, Haijun Zhou, Zhong-Can Ou-Yang 
Salt Effects on Ionization Equilibria of Histidines in Myoglobin
Michael Farnum, Charles Zukoski  Biophysical Journal 
Brownian Dynamics Simulation of DNA Condensation
Volume 96, Issue 1, Pages (January 2009)
A Computational Framework for Mechanical Response of Macromolecules: Application to the Salt Concentration Dependence of DNA Bendability  Liang Ma, Arun.
Nicolas Destainville, Manoel Manghi, John Palmeri  Biophysical Journal 
Volume 77, Issue 5, Pages (November 1999)
Christa Trandum, Peter Westh, Kent Jørgensen, Ole G. Mouritsen 
Volume 96, Issue 4, Pages (February 2009)
Volume 99, Issue 8, Pages (October 2010)
Salt Contribution to RNA Tertiary Structure Folding Stability
Nucleic Acid Helix Stability: Effects of Salt Concentration, Cation Valence and Size, and Chain Length  Zhi-Jie Tan, Shi-Jie Chen  Biophysical Journal 
Ben Corry, Serdar Kuyucak, Shin-Ho Chung  Biophysical Journal 
Volume 114, Issue 1, Pages (January 2018)
Ion Specificity and Nonmonotonic Protein Solubility from Salt Entropy
Volume 109, Issue 8, Pages (October 2015)
Rikkert J. Nap, Anže Lošdorfer Božič, Igal Szleifer, Rudolf Podgornik 
Ion Counting from Explicit-Solvent Simulations and 3D-RISM
An Electrostatic Model for DNA Surface Hybridization
Random Hydrolysis Controls the Dynamic Instability of Microtubules
Volume 100, Issue 10, Pages (May 2011)
Revisiting Free Energy Calculations: A Theoretical Connection to MM/PBSA and Direct Calculation of the Association Free Energy  Jessica M.J. Swanson,
Jiang Hong, Shangqin Xiong  Biophysical Journal 
Michael S. Lee, Mark A. Olson  Biophysical Journal 
Congju Chen, Irina M. Russu  Biophysical Journal 
Volume 69, Issue 3, Pages (February 2006)
M. Boström, D.R.M. Williams, B.W. Ninham  Biophysical Journal 
Effects of Monovalent Anions of the Hofmeister Series on DPPC Lipid Bilayers Part II: Modeling the Perpendicular and Lateral Equation-of-State  E. Leontidis,
A Flexible Approach to the Calculation of Resonance Energy Transfer Efficiency between Multiple Donors and Acceptors in Complex Geometries  Ben Corry,
Volume 112, Issue 4, Pages (February 2017)
Binding-Linked Protonation of a DNA Minor-Groove Agent
Effects of Receptor Interaction in Bacterial Chemotaxis
Dustin B. McIntosh, Gina Duggan, Quentin Gouil, Omar A. Saleh 
Ining Jou, Murugappan Muthukumar  Biophysical Journal 
Billy R. Wooten  Journal of Investigative Dermatology 
Volume 104, Issue 2, Pages (January 2013)
Huan-Xiang Zhou, Osman Bilsel  Biophysical Journal 
Pawel Gniewek, Andrzej Kolinski  Biophysical Journal 
Binding of Alkyl Polyglucoside Surfactants to Bacteriorhodopsin and its Relation to Protein Stability  M. Gabriella Santonicola, Abraham M. Lenhoff, Eric.
Alice S. Whittemore, Jerry Halpern 
Volume 109, Issue 8, Pages (October 2015)
Crowding Effects on Association Reactions at Membranes
Presentation transcript:

Density Functional Theory for the Nonspecific Binding of Salt to Polyelectrolytes: Thermodynamic Properties  Chandra N. Patra, Arun Yethiraj  Biophysical Journal  Volume 78, Issue 2, Pages 699-706 (February 2000) DOI: 10.1016/S0006-3495(00)76628-8 Copyright © 2000 The Biophysical Society Terms and Conditions

Figure 1 Comparison of theoretical predictions for the preferential interaction coefficient to Monte Carlo simulations (Ni et al., 1999) for various NaCl concentrations (as marked) as a function of added MgCl2 concentration. Symbols are simulation results and lines are predictions of the density functional theory (——) and nonlinear Poisson-Boltzmann theory (- - -). Biophysical Journal 2000 78, 699-706DOI: (10.1016/S0006-3495(00)76628-8) Copyright © 2000 The Biophysical Society Terms and Conditions

Figure 2 Free energy of solvation as a function of charge on the polyelectrolyte for various salt concentrations (as marked) for (a) 1:1 salt, (b) 2:1 salt, and (c) 2:2 salts. Lines are predictions of the DFT (——) and NLPB (- - -) theories. Note that the negative of the free energy is plotted on the ordinate. Biophysical Journal 2000 78, 699-706DOI: (10.1016/S0006-3495(00)76628-8) Copyright © 2000 The Biophysical Society Terms and Conditions

Figure 3 Various contributions to the free energy from DFT (——) and NLPB (- - -) theories for (a) 16mM 1:1 salt, and (b) 16mM 2:2 salt. Biophysical Journal 2000 78, 699-706DOI: (10.1016/S0006-3495(00)76628-8) Copyright © 2000 The Biophysical Society Terms and Conditions

Figure 4 Co-ion and counterion distributions around the polyion normalized to the bulk value for 16mM 2:1 (——) and 2:2 (- - -) salts from the DFT and NLPB theories (as marked) for charge per b of 2.78. Biophysical Journal 2000 78, 699-706DOI: (10.1016/S0006-3495(00)76628-8) Copyright © 2000 The Biophysical Society Terms and Conditions

Figure 5 Activity coefficient for a mixed salt as a function of added MgCl2 concentration for a 72-mM NaCl salt with ξ=4.2. Lines are predictions of DFT (——) and NLPB (- - -) theories. Biophysical Journal 2000 78, 699-706DOI: (10.1016/S0006-3495(00)76628-8) Copyright © 2000 The Biophysical Society Terms and Conditions