Molecular Dynamics Investigation of Hyaluronan in Biolubrication
Aqueous solution of strongly hydrophilic biopolymers is known to exhibit excellent lubrication properties in biological systems, such as the synovial fluid in human joints. Several mechanisms have been proposed on the biolubrication of joints, such as the boundary lubrication and the fluid exudation...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-09-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/14/19/4031 |
| _version_ | 1797477322502176768 |
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| author | Masahiro Susaki Mitsuhiro Matsumoto |
| author_facet | Masahiro Susaki Mitsuhiro Matsumoto |
| author_sort | Masahiro Susaki |
| collection | DOAJ |
| description | Aqueous solution of strongly hydrophilic biopolymers is known to exhibit excellent lubrication properties in biological systems, such as the synovial fluid in human joints. Several mechanisms have been proposed on the biolubrication of joints, such as the boundary lubrication and the fluid exudation lubrication. In these models, mechanical properties of synovial fluid containing biopolymers are essential. To examine the role of such biopolymers in lubrication, a series of molecular dynamics simulations with an all-atom classical force field model were conducted for aqueous solutions of hyaluronan (hyaluronic acid, HA) under constant shear. After equilibrating the system, the Lees-Edwards boundary condition was imposed, with which a steady state of uniform shear flow was realized. Comparison of HA systems with hydrocarbon (pentadecane, PD) solutions of similar mass concentration indicates that the viscosity of HA solutions is slightly larger in general than that of PDs, due to the strong hydration of HA molecules. Effects of added electrolyte (NaCl) were also discussed in terms of hydration. These findings suggest the role of HA in biolubirication as a load-supporting component, with its flexible character and strong hydration structure. |
| first_indexed | 2024-03-09T21:15:57Z |
| format | Article |
| id | doaj.art-74524fc434a44084af261b00b1a58dc8 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-09T21:15:57Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-74524fc434a44084af261b00b1a58dc82023-11-23T21:33:06ZengMDPI AGPolymers2073-43602022-09-011419403110.3390/polym14194031Molecular Dynamics Investigation of Hyaluronan in BiolubricationMasahiro Susaki0Mitsuhiro Matsumoto1Graduate School of Engineering, Kyoto University, Kyoto 615-8540, JapanGraduate School of Engineering, Kyoto University, Kyoto 615-8540, JapanAqueous solution of strongly hydrophilic biopolymers is known to exhibit excellent lubrication properties in biological systems, such as the synovial fluid in human joints. Several mechanisms have been proposed on the biolubrication of joints, such as the boundary lubrication and the fluid exudation lubrication. In these models, mechanical properties of synovial fluid containing biopolymers are essential. To examine the role of such biopolymers in lubrication, a series of molecular dynamics simulations with an all-atom classical force field model were conducted for aqueous solutions of hyaluronan (hyaluronic acid, HA) under constant shear. After equilibrating the system, the Lees-Edwards boundary condition was imposed, with which a steady state of uniform shear flow was realized. Comparison of HA systems with hydrocarbon (pentadecane, PD) solutions of similar mass concentration indicates that the viscosity of HA solutions is slightly larger in general than that of PDs, due to the strong hydration of HA molecules. Effects of added electrolyte (NaCl) were also discussed in terms of hydration. These findings suggest the role of HA in biolubirication as a load-supporting component, with its flexible character and strong hydration structure.https://www.mdpi.com/2073-4360/14/19/4031biolubricationbiotribologydynamic viscosityhyaluronanhydrophilic polymerhydration |
| spellingShingle | Masahiro Susaki Mitsuhiro Matsumoto Molecular Dynamics Investigation of Hyaluronan in Biolubrication Polymers biolubrication biotribology dynamic viscosity hyaluronan hydrophilic polymer hydration |
| title | Molecular Dynamics Investigation of Hyaluronan in Biolubrication |
| title_full | Molecular Dynamics Investigation of Hyaluronan in Biolubrication |
| title_fullStr | Molecular Dynamics Investigation of Hyaluronan in Biolubrication |
| title_full_unstemmed | Molecular Dynamics Investigation of Hyaluronan in Biolubrication |
| title_short | Molecular Dynamics Investigation of Hyaluronan in Biolubrication |
| title_sort | molecular dynamics investigation of hyaluronan in biolubrication |
| topic | biolubrication biotribology dynamic viscosity hyaluronan hydrophilic polymer hydration |
| url | https://www.mdpi.com/2073-4360/14/19/4031 |
| work_keys_str_mv | AT masahirosusaki moleculardynamicsinvestigationofhyaluronaninbiolubrication AT mitsuhiromatsumoto moleculardynamicsinvestigationofhyaluronaninbiolubrication |