Biomaterial Database

Comparative molecular dynamics study on interaction of acetamide and glycerol with phospholipid bilayer. 2022

Y Kong, and B Ye, and L Yang, and X Liu, and C Gao

Department of Refrigeration and Cryogenics Engineering, Hefei University of Technology, Hefei, China.

BACKGROUND The exact mechanisms that acetamide and glycerol interact with cell membrane remains a matter of debate. OBJECTIVE To investigate the microscopic interactions of acetamide and glycerol with phospholipid bilayers at various temperatures. METHODS Molecular dynamics simulations of a hydrated dipalmitoyl-phosphatidylcholine (DPPC) bilayer in the presence of glycerol and acetamide were performed. The system contains 128 lipids and about 700 cryoprotectant molecules, and simulations extended to 15 ns. RESULTS When compared to glycerol, acetamide shows a stronger affinity with water rather than the lipid bilayer. CONCLUSIONS The knowledge of the mixing dynamics of present system helps to develop better cryoprotective formulas and to propose more optimal cooling/warming protocols.

UI	MeSH Term	Description	Entries
D010743	Phospholipids	Lipids containing one or more phosphate groups, particularly those derived from either glycerol (phosphoglycerides see GLYCEROPHOSPHOLIPIDS) or sphingosine (SPHINGOLIPIDS). They are polar lipids that are of great importance for the structure and function of cell membranes and are the most abundant of membrane lipids, although not stored in large amounts in the system.	Phosphatides,Phospholipid
D005990	Glycerol	A trihydroxy sugar alcohol that is an intermediate in carbohydrate and lipid metabolism. It is used as a solvent, emollient, pharmaceutical agent, or sweetening agent.	1,2,3-Propanetriol,Glycerin,1,2,3-Trihydroxypropane,Glycerine
D000081	Acetamides	Derivatives of acetamide that are used as solvents, as mild irritants, and in organic synthesis.
D015925	Cryopreservation	Preservation of cells, tissues, organs, or embryos by freezing. In histological preparations, cryopreservation or cryofixation is used to maintain the existing form, structure, and chemical composition of all the constituent elements of the specimens.	Cryofixation,Cryonic Suspension,Cryonic Suspensions,Suspension, Cryonic
D056004	Molecular Dynamics Simulation	A computer simulation developed to study the motion of molecules over a period of time.	Molecular Dynamics Simulations,Molecular Dynamics,Dynamic, Molecular,Dynamics Simulation, Molecular,Dynamics Simulations, Molecular,Dynamics, Molecular,Molecular Dynamic,Simulation, Molecular Dynamics,Simulations, Molecular Dynamics