Intermolecular interactions play a role in the distribution and transport of charged contrast agents in a cartilage model

Autoři: Jenny Algotsson aff001;  Peter Jönsson aff001;  Jan Forsman aff002;  Daniel Topgaard aff001;  Olle Söderman aff001
Působiště autorů: Division of Physical Chemistry, Lund University, Lund, Sweden aff001;  Division of Theoretical Chemistry, Lund University, Lund, Sweden aff002
Vyšlo v časopise: PLoS ONE 14(10)
Kategorie: Research Article
doi: 10.1371/journal.pone.0215047


The transport and distribution of charged molecules in polyelectrolyte solutions are of both fundamental and practical importance. A practical example, which is the specific subject addressed in the present paper, is the transport and distribution of charged species into cartilage. The charged species could be a contrast agent or a drug molecule involved in diagnosis or treatment of the widespread degenerative disease osteoarthritis, which leads to degradation of articular cartilage. Associated scientific issues include the rate of transport and the equilibrium concentrations of the charged species in the cartilage and the synovial fluid. To address these questions, we present results from magnetic resonance micro-imaging experiments on a model system of articular cartilage. The experiments yield temporally and spatially resolved data on the transport of a negatively charged contrast agent (charge = -2), used in medical examinations of cartilage, into a polyelectrolyte solution, which is designed to capture the electrostatic interactions in cartilage. Also presented is a theoretical analysis of the transport where the relevant differential equations are solved using finite element techniques as well as treated with approximate analytical expressions. In the analysis, non-ideal effects are included in the treatment of the mobile species in the system. This is made possible by using results from previous Monte Carlo simulations. The results demonstrate the importance of taking non-idealities into account when data from measurements of transport of charged solutes in a system with fixed charges from biological polyelectrolytes are analyzed.

Klíčová slova:

Cartilage – Magnetic resonance imaging – Mass diffusivity – Monte Carlo method – Finite element analysis – Solute transport – Convection – Electrostatics


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