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A molecular dynamics study
of the role that surface-active phospholipids play in the
lubrication of synovial joints: implications for the treatment and
prevention of Osteoarthritis
Stacie L. Gregory
North Carolina State Univ.
Materials Science & Engineering
Campus Box 7907
Raleigh, NC 27695-7907
Using molecular dynamics simulation, the lubricating abilities of
surface-active phospholipids (SAPLs) will be accessed. To begin
with, an intial simulation will determine if the fatty acid chains
collapse when two surfaces containing SAPLs are brought into
contact. The dependence of spacing between the two surfaces will be
analyzed to determine its impact on how the chains collapse. The
significance of how the chains collapse could provide insight into
the effectiveness of SAPLs as boundary lubricants. Another issue to
be investigated is what role does the double chain fatty acid play
in enhancing lubrication. Simulation results from single, double,
and triple chain molecules will be compared in an effort to address
the issue of why nature forms this double chain molecule and the
impact it has on its lubricating abilities. The last issue that will
be addressed is the relevance of surface roughness. The surface of
articular cartilage is considered relatively rough. Whether or not
the surface roughness plays a role in the effectiveness of SAPLs as
boundary layer lubricants will be addressed. The simulation results
from smooth and rough surfaces will be compared. Hopefully, finding
from this research will assist in the prevention and/or treatment of
Osteoarthritis. The impact these research results could have on
economics alone is outstanding. It has been estimated that the cost
of the total arthritis bill for the U.S. is $50 billion annually.
Moreover, it may also prove invaluable to pharmaceutical companies
hoping to develop a drug that could one day benefit those suffering
from this painful, debilitating disease. Arthritis pharmaceutical
companies are projecting as much as $21 billion in sales by the year
2010.
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