Computational Study of Physicochemical Properties of the Monomers Used in Stomatology

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. Thi...

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Bibliographic Details
Published in:Key Engineering Materials 2016-05, Vol.695, p.59-64
Main Authors: Manolea, Horia Octavian, Rîcă, Radu, Amzoiu, Emilia, Opri, Mirela
Format: Article
Language:English
Subjects:
Assessments
Coefficients
Dental materials
Dentistry
Monomers
Partitions
Polymerization
Reconstruction
Online Access:Get full text
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Summary: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.
ISSN:1013-9826
1662-9795
1662-9795
DOI:10.4028/www.scientific.net/KEM.695.59