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Interactions of a short hyaluronan chain with a phospholipid membrane
UTP University of Science and Technology, Poland; Friedrich-Alexander-Universität, Gerrmany.
East Carolina University, US.
RISE - Research Institutes of Sweden, Bioscience and Materials, Surface, Process and Formulation. KTH Royal Institute of Technology, Sweden.
RISE - Research Institutes of Sweden, Bioscience and Materials, Surface, Process and Formulation. KTH Royal Institute of Technology, Sweden.
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2019 (English)In: Colloids and Surfaces B: Biointerfaces, ISSN 0927-7765, E-ISSN 1873-4367, Vol. 184, article id 110539Article in journal (Refereed) Published
Abstract [en]

Hyaluronic acid and phospholipids are two components that are present in the synovial fluid, and both are implicated as important facilitators of joint lubrication. In this work we aim to clarify how hyaluronic acid interacts with a phospholipid bilayer through their molecular interactions at the bilayer surface. To this end we performed molecular dynamics simulations of one hyaluronic acid molecule at a phospholipid bilayer in aqueous solution. The simulations were carried out for two aqueous solutions of equal concentrations, containing either NaCl or CaCl2. We analyzed hydrogen bonds, hydrophobic contacts and cation mediated bridges to clarify how hyaluoronic acid binds to a phospholipid bilayer. The analysis shows that calcium ions promote longer lasting bonds between the species as they create calcium ion bridges between the carboxylate group of hyaluronic acid and the phosphate group of the phospholipid. This type of additional bonding does not significantly influence the total number of contact created, but rather stabilizes the contact. The presented results can facilitate understanding of the role of hyaluronic acid and phospholipid interactions in terms of lubrication of articular cartilage.

Place, publisher, year, edition, pages
Elsevier B.V. , 2019. Vol. 184, article id 110539
Keywords [en]
Hyaluronic acid, Hydrogen bonds, Molecular dynamics simulations, Phospholipids, Calcium, Carboxylation, Cartilage, Ions, Molecular dynamics, Organic acids, Sodium chloride, Articular cartilages, Carboxylate groups, Hydrophobic contact, Joint lubrication, Number of contacts, Phospholipid bilayer, Phospholipid membrane, calcium chloride, calcium ion, carboxylic acid, dipalmitoylphosphatidylcholine, hydrogen, nitrogen, phosphate, phospholipid, sodium ion, water, aqueous solution, Article, articular cartilage, atom, cation exchange, chemical structure, concentration (parameter), hydrogen bond, hydrophobicity, lubrication, molecular interaction, molecular weight, priority journal
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:ri:diva-40598DOI: 10.1016/j.colsurfb.2019.110539Scopus ID: 2-s2.0-85073213133OAI: oai:DiVA.org:ri-40598DiVA, id: diva2:1369621
Note

Funding details: Deutscher Akademischer Austauschdienst, DAAD; Funding details: Deutscher Akademischer Austauschdienst, DAAD, UTP BN-10/19, 57381327; Funding text 1: P.B. wish to acknowledge a financial support from German Academic Exchange Service (DAAD) for financing his stay at Friedrich-Alexander-Universität Erlangen-Nürnberg 1.02-1.05.2019 (Grant no 57381327 ). This work was supported by internal grants: UTP BN-10/19 of the Institute of Mathematics and Physics of the UTP University of Science and Technology in Bydgoszcz .

Available from: 2019-11-12 Created: 2019-11-12 Last updated: 2019-11-12Bibliographically approved

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