Development of quantitative structure–activity relationships for explanatory modeling of fast reacting (meth)acrylate monomers bearing novel functionality

The photoinitiated polymerization of (meth)acrylate monomers bearing novel carbamate functionality exhibits significantly greater reaction rate when compared to more traditional acrylate monomers undergoing similar polymerization. This unusually fast reactivity has been the subject of much investigation. In order to suggest an explanatory mechanism for the enhanced polymerization rates we have conducted quantitative structure–activity relationship investigations of these novel monomers. These studies have resulted in statistically sound models with coefficients of multiple determination of R2 > 0.93. Principal component and k nearest neighbor similarity analysis were also conducted on the multiple regression models. These results are discussed in light of published experimental investigations of the photopolymerization reactivity of the novel monomers.

Figure optionsDownload high-quality image (179 K)Download as PowerPoint slideResearch highlights▶ QSAR analysis conducted on maximum polymerization rates of novel carbamate (meth)acrylate monomers. ▶ Principal component and k nearest neighbor similarity analysis conducted on regression models. ▶ Models are statistically sound and reflective of published experimental investigations. ▶ Mechanistic explanations suggested.