Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

Charge regulation in biomolecular solution.

Lund, Mikael LU orcid and Jönsson, Bo LU (2013) In Quarterly Reviews of Biophysics 46(3). p.265-281
Abstract
Proteins and other biomolecules contain acidic and basic titratable groups that give rise to intricate charge distributions and control electrostatic interactions. 'Charge regulation' concerns how the proton equilibria of these sites are perturbed when approached by alien molecular matter such as other proteins, surfaces and membranes, DNA, polyelectrolytes etc. Importantly, this perturbation generates a charge response that leads to attractive intermolecular interactions that can be conveniently described by a single molecular property - the charge capacitance. The capacitance quantifies molecular charge fluctuations, i.e. it is the variance of the mean charge and is an intrinsic property on par with the net charge and the dipole moment.... (More)
Proteins and other biomolecules contain acidic and basic titratable groups that give rise to intricate charge distributions and control electrostatic interactions. 'Charge regulation' concerns how the proton equilibria of these sites are perturbed when approached by alien molecular matter such as other proteins, surfaces and membranes, DNA, polyelectrolytes etc. Importantly, this perturbation generates a charge response that leads to attractive intermolecular interactions that can be conveniently described by a single molecular property - the charge capacitance. The capacitance quantifies molecular charge fluctuations, i.e. it is the variance of the mean charge and is an intrinsic property on par with the net charge and the dipole moment. It directly enters the free energy expression for intermolecular interactions and can be obtained experimentally from the derivative of the titration curve or theoretically from simulations. In this review, we focus on the capacitance concept as a predictive parameter for charge regulation and demonstrate how it can be used to estimate the interaction of a protein with other proteins, polyelectrolytes, membranes as well as with ligands. (Less)
Please use this url to cite or link to this publication:
author
and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Quarterly Reviews of Biophysics
volume
46
issue
3
pages
265 - 281
publisher
Cambridge University Press
external identifiers
  • wos:000324501500002
  • pmid:23880425
  • scopus:84884175429
ISSN
1469-8994
DOI
10.1017/S003358351300005X
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
085b415b-1492-4d85-80c3-7c605b8195aa (old id 3955623)
date added to LUP
2016-04-01 10:19:21
date last changed
2023-01-02 03:25:29
@article{085b415b-1492-4d85-80c3-7c605b8195aa,
  abstract     = {{Proteins and other biomolecules contain acidic and basic titratable groups that give rise to intricate charge distributions and control electrostatic interactions. 'Charge regulation' concerns how the proton equilibria of these sites are perturbed when approached by alien molecular matter such as other proteins, surfaces and membranes, DNA, polyelectrolytes etc. Importantly, this perturbation generates a charge response that leads to attractive intermolecular interactions that can be conveniently described by a single molecular property - the charge capacitance. The capacitance quantifies molecular charge fluctuations, i.e. it is the variance of the mean charge and is an intrinsic property on par with the net charge and the dipole moment. It directly enters the free energy expression for intermolecular interactions and can be obtained experimentally from the derivative of the titration curve or theoretically from simulations. In this review, we focus on the capacitance concept as a predictive parameter for charge regulation and demonstrate how it can be used to estimate the interaction of a protein with other proteins, polyelectrolytes, membranes as well as with ligands.}},
  author       = {{Lund, Mikael and Jönsson, Bo}},
  issn         = {{1469-8994}},
  language     = {{eng}},
  number       = {{3}},
  pages        = {{265--281}},
  publisher    = {{Cambridge University Press}},
  series       = {{Quarterly Reviews of Biophysics}},
  title        = {{Charge regulation in biomolecular solution.}},
  url          = {{https://lup.lub.lu.se/search/files/1746226/4053673.pdf}},
  doi          = {{10.1017/S003358351300005X}},
  volume       = {{46}},
  year         = {{2013}},
}