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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 32, Number 11
BKCSDE 32(11)
November 20, 2011 

A Novel Approach to Controlling CaCO3 Crystalline Assembly by Changing the Concentration of Poly(aspartic acid)
Hongjian Zhou, Yanmin Gao, Sungu Hwang, Dongyun Lee, Jung Youn Park, Jaebeom Lee*
Molecular dynamics simulation, Biomineralization, Crystalline assembly structures
CaCO3 crystalline structures having novel assemblies were in situ fabricated as analogs of naturally occurring proteins and polysaccharides for biomineralization. The calcite crystal was mineralized in a poly(vinyl alcohol)-Ca2+ complex film immersed in a Na2CO3 solution containing poly(aspartic acid). The morphology and size of the CaCO3 crystals were tuned by varying the concentration of poly(aspartic acid). The mechanisms of their nucleation orientation and formation were investigated experimentally and through molecular dynamics (MD) simulations in order to obtain a better understanding of the interactions between the polymers and the crystal at the molecular level. Both the MD results and experimental results indicate that the interaction between PVA and calcite mainly depends on the concentration of the polymer. The novel approach proposed herein for the fabrication of inorganic crystalline assembly structures can be used to fabricate precise crystalline structures.
4027 - 4034
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