Solution electrostatics beyond pH: a coarse grained approach to ion specific interactions between macromolecules
Kurut Sabanoglu, Anil LU and Lund, Mikael LU
(2013)
In Faraday Discussions
160.
p.271-278
- Abstract
- Oblivious to ion specificity, pH has been a key parameter for macromolecular solutions for little more than a century. We here widen the concept by describing the ionization of macromolecules not only via pH, but also pX where X are other binding species. Using binding constants, measured by NMR, of chloride and thiocyanate to amino acid motifs on g-crystallin, we calculate i) titration curves as a function of pH and pX and ii) estimate second virial coefficients using both approximate theory and computer simulations. In agreement with experiment, a Hofmeister reversal for protein-protein interactions is observed when crossing iso-electric conditions. Thiocyanate binding further leads to large charge fluctuations that may trigger... (More)
- Oblivious to ion specificity, pH has been a key parameter for macromolecular solutions for little more than a century. We here widen the concept by describing the ionization of macromolecules not only via pH, but also pX where X are other binding species. Using binding constants, measured by NMR, of chloride and thiocyanate to amino acid motifs on g-crystallin, we calculate i) titration curves as a function of pH and pX and ii) estimate second virial coefficients using both approximate theory and computer simulations. In agreement with experiment, a Hofmeister reversal for protein-protein interactions is observed when crossing iso-electric conditions. Thiocyanate binding further leads to large charge fluctuations that may trigger intermolecular charge regulation interactions. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/3590823
- author
- Kurut Sabanoglu, Anil
LU
and Lund, Mikael
LU
- organization
- publishing date
- 2013
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Faraday Discussions
- volume
- 160
- pages
- 271 - 278
- publisher
- Royal Society of Chemistry
- external identifiers
-
- wos:000313815400017
- pmid:23795505
- scopus:84872831718
- ISSN
- 1364-5498
- DOI
- 10.1039/c2fd20073b
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
- id
- f3226bdb-a1fb-4d49-a7ed-b4da3bb121c9 (old id 3590823)
- date added to LUP
- 2016-04-01 10:15:15
- date last changed
- 2023-01-02 02:42:21
@article{f3226bdb-a1fb-4d49-a7ed-b4da3bb121c9,
abstract = {{Oblivious to ion specificity, pH has been a key parameter for macromolecular solutions for little more than a century. We here widen the concept by describing the ionization of macromolecules not only via pH, but also pX where X are other binding species. Using binding constants, measured by NMR, of chloride and thiocyanate to amino acid motifs on g-crystallin, we calculate i) titration curves as a function of pH and pX and ii) estimate second virial coefficients using both approximate theory and computer simulations. In agreement with experiment, a Hofmeister reversal for protein-protein interactions is observed when crossing iso-electric conditions. Thiocyanate binding further leads to large charge fluctuations that may trigger intermolecular charge regulation interactions.}},
author = {{Kurut Sabanoglu, Anil and Lund, Mikael}},
issn = {{1364-5498}},
language = {{eng}},
pages = {{271--278}},
publisher = {{Royal Society of Chemistry}},
series = {{Faraday Discussions}},
title = {{Solution electrostatics beyond pH: a coarse grained approach to ion specific interactions between macromolecules}},
url = {{https://lup.lub.lu.se/search/files/1690781/4053701.pdf}},
doi = {{10.1039/c2fd20073b}},
volume = {{160}},
year = {{2013}},
}