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Charge regulation in biomolecular solution.

Lund, Mikael LU 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)
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publication status
published
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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
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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)
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085b415b-1492-4d85-80c3-7c605b8195aa (old id 3955623)
date added to LUP
2016-04-01 10:19:21
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2020-10-07 01:35:40
@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/ws/files/1746226/4053673.pdf},
  doi          = {10.1017/S003358351300005X},
  volume       = {46},
  year         = {2013},
}