The Anomalies of Hyaluronan Structures in Presence of Surface Active Phospholipids—Molecular Mass Dependence

Abstract

Abstract:Interactions between hyaluronan (A-) and phospholipids play a key role in many systems in the human body. One example is the articular cartilage system, where the synergistic effect of such interactions supports nanoscale lubrication. A molecular dynamics simulation has been performed to understand the process of formation of hydrogen bonds inside the hyaluronan network, both in the presence and absence of phospholipids. Additionally, the effect of the molecular mass of (A-) was analyzed. The main finding of this work is a robust demonstration of the optimal parameters (H-bond energy, molecular mass) influencing the facilitated lubrication mechanism of the articular cartilage system. Simulation results show that the presence of phospholipids has the greatest influence on hyaluronan at low molecular mass. We also show the specific sites of H-bonding between chains. Simulation results can help to understand how hyaluronan and phospholipids interact at several levels of articular cartilage system functioning.

Tunable layer-by-layer films containing hyaluronic acid and their interactions with CD44

“…Longer HA is associated with higher R g (see Table S1, ESI †) and thus fosters the intramolecular interactions, leading to increased entrapment of water (a higher hydrodynamic radius). 44 The increased hydrodynamic radius of HA does not compromise its ability to be chemically crosslinked with PLL as these bonds are mainly mediated by the carboxyl groups exposed on the HA surface.…”

Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes

“…Figure 5 shows H–bond duration of intra- and intermolecular bonds inside the network. HA shows longer-lasting networks (especially when comparing with pure HA solution [ 8 ]), and in total there are many more H-bonds than for CS and intermolecularly (see: Figure 6 ). This is rather due to the lower diffusivity of longer chains [ 33 ].…”

“…As SF composition changes with progression of OA, the concentration of both molecules decreases [ 7 ]. Moreover, HA shows significant changes of its polydispersity towards shorter chains [ 1 , 7 , 8 ]. Normal synovial fluid HA’s molecular weight ranges from ~4 kDa to ~8 MDa, wherein higher-molecular-weight species, which are selectively lost commensurate with osteoarthritis, are associated with lubricating properties.…”

Hyaluronic Acid Dynamics and its Interaction with Synovial Fluid Components as a Source of the Color Noise

“…Berendsen barostat and thermostat with a relaxation time of 1 fs were used to maintain constant temperature and pressure. The dipalmitoylphosphatidylcholine lipid (DPPC À À À most common in synovial joints; chemical formula C 40 H 80 NO 8 P) solution was mixed and added at a concentration of c PL ¼ 4 Á 10 À7 M with HA in concentration of c HA ¼ 6 Á 10 À6 M, as in [9]. The initial and¯nal (after 20 ns simulation) forms of HA has been presented in Fig.…”

“…Regardless of its remarkable properties, it is susceptible to mechanically or chemically driven degradation. Osteoarthritis (OA) is a most commonly known joint disease, which results in degradation of joint surfaces and reduction of lubricating properties of SF [9][10][11]. Composition of SF can change dramatically [12], as the concentration of PL can increase by 3-fold.…”