Computational Study of Physicochemical Properties of the Monomers Used in Stomatology

Abstract:

Monomers used in dentistry allow tackling shrinkage problem during polymerization of dental composites.These monomers may cross biomembranes, a phenomenon that can lead to various toxic responses. An important factor that express the lipophilicity of these compounds is the partition coefficient. This parameter allows assessment of the solubility of a monomer to another and, generally, of a material to another.Computational partition coefficients study of water / octanol for a series of monomeric compounds analyzed showed the contribution of chemical structures dependent descriptors of substances on this parameter. The purpose of the assessment of these molecular descriptors is to show their importance in the partition of the substances studied in two phases aqueous and lipid (n-octanol).This allows optimization of the action of compounds activity very useful in finding new monomers used in dental reconstruction.

• Periodical: Key Engineering Materials (Volume 695)
• Pages: 59-64
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.695.59
• Online since: May 2016
• Authors: Mirela Opri, Emilia Amzoiu*, Horia Octavian Manolea, Radu Rîcă
• Keywords: Dental Monomers, Descriptors, Lipophilicity, Partition Coefficient

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