Development of quantitative structure-activity relationships for explanatory modeling of fast reacting (meth)acrylate monomers bearing novel functionality |
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Authors: | Morrill Jason A Biggs Joedd H Bowman Christopher N Stansbury Jeffrey W |
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Affiliation: | Department of Chemistry, William Jewell College, 500 College Hill, Liberty, MO 64068, USA. morrillj@william.jewell.edu |
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Abstract: | 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 R(2)>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. |
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