The Mechanism of Formation of Glass-Ionomer Cement: A Theoretical Study

• 作者: Claudia G. García Ederley Vélez Jair Gaviria Jairo Quijano
• 来源期刊: 材料科学建模与数值模拟(英文)
• 学科: 化学
• 关键词: DENTAL CEMENTS Resin-Modified GLASS-IONOMER Cement Glycidyl METHACRYLATE AMINO Acid Derivatives Density Functional Theory
• 年，卷（期）: clkxjmyszmnyw_2013,（4）
• 页码范围: 149-154
• 页数: 6页
• 分类号: O6

摘要

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.