TITLE:
The Mechanism of Formation of Glass-Ionomer Cement: A Theoretical Study
AUTHORS:
Jair Gaviria, Claudia G. García, Ederley Vélez, Jairo Quijano
KEYWORDS:
Dental Cements; Resin-Modified Glass-Ionomer Cement; Glycidyl Methacrylate; Amino Acid Derivatives; Density Functional Theory
JOURNAL NAME:
Modeling and Numerical Simulation of Material Science,
Vol.3 No.4,
October
15,
2013
ABSTRACT:
A resin-modified glass-ionomer cement (RMGIC) was studied from a computational
point of view. We suggest terpolymer formation by reaction of fixation through
a combination of acrylic acid (AA), itaconic acid (IA) and an aminoacid
derivative (AAD) in different positions. We found that AAD-AA-IA is
thermodynamically more stable, but AA-IA-AAD is the combination which can react
with glycidyl methacrylate (GM) to form a grafted polymer with two pendant
methacrylate groups which can be used later in the process of light-curing. A
RMGIC contains a glass powder of calcium-fluoroaluminosilicate acting as the
source of cross linking, and for this reason, we have optimized
two intramolecular Al3+ tricarboxylate complexes (salt-bridges)
formed from the most stable grafted polymers. A possible reaction mechanism for
the addition of (GM) to copolymer is proposed.