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L. Hench, J. West (1990)
The sol-gel processChemical Reviews, 90
T. Chia, J. West, L. Hench (1994)
A Molecular Orbital Model of Gel-Silica Ir SpectraMRS Proceedings, 346
M. Dewar, E. Zoebisch, Eamonn Healy, J. Stewart (1985)
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 107
A. Johnston, E. Asmussen, R. Bowen (1989)
Substitutes for N-Phenylglycine in Adhesive Bonding to DentinJournal of Dental Research, 68
(1996)
Clinical Performance of Skeletal Prostheses
Marivalda Pereira, Arthur Clark, L. Hench (1994)
Calcium phosphate formation on sol-gel-derived bioactive glasses in vitro.Journal of biomedical materials research, 28 6
M. Kawaguchi, T. Fukushima, T. Horibe (1989)
Effect of monomer structure on the mechanical properties of light-cured composite resins.Dental materials journal, 8 1
R. G. Griskey (1995)
Polymer Process Engineering
J. West, L. Hench (1994)
Silica fractureJournal of Materials Science, 29
L. Hench (1991)
Bioceramics: From Concept to ClinicJournal of the American Ceramic Society, 74
L. Hench, S. Wang, J. Nogues (1988)
Gel-Silica Optics, 0878
R. Bell, P. Dean (1972)
The structure of vitreous silica: Validity of the random network theoryPhilosophical Magazine, 25
J. West, L. Hench (1995)
Molecular Orbital Models of Silica Rings and Their Vibrational SpectraJournal of the American Ceramic Society, 78
J. Pople, D. Beveridge (1970)
Approximate molecular orbital theory
S. Venz, B. Dickens (1993)
Modified Surface-active Monomers for Adhesive Bonding to DentinJournal of Dental Research, 72
J. West, L. Hench (1994)
A PM3 molecular orbital model of silica rings and their vibrational spectraJournal of Non-crystalline Solids, 180
C.H. Lee, G. Brauer (1989)
Oligomers with Pendant Isocyanate Groups as Adhesives for Dentin and Other TissuesJournal of Dental Research, 68
S. Wallace, J. West, L. Hench (1993)
Interactions of water with trisiloxane rings. I: Experimental analysisJournal of Non-crystalline Solids, 152
Karl-Johan Söderholm (1991)
Correlation of in vivo and in vitro performance of adhesive restorative materials: a report of the ASC MD156 Task Group on Test Methods for the Adhesion of Restorative Materials.Dental materials : official publication of the Academy of Dental Materials, 7 2
R. Bowen, E. Cobb, D. Misra (1984)
Adhesive bonding by surface initiation of polymerizationIndustrial & Engineering Chemistry Product Research and Development, 23
The development of a zero net shrinkage dental restorative material based upon a polymer‐bioactive glass composite requires a second‐phase material that expands. This study details the mechanisms of silica ring expansion by reaction with carbon monoxide. Carbon monoxide was used as a model adduct to represent potentially active sites on the polymer phase of the dental restorative. Silica rings were used to model the bioactive‐glass phase of the composite. The 3‐, 4‐, 5‐, and 6‐“member” silica rings have been modeled using the Austin Method (AM1) semi‐empirical molecular orbital calculations. The reaction pathways were determined for carbon monoxide (CO) reaction addition to each of the rings. The activation barriers (Ea) for the ring expansions were determined from the transition state geometries wherein only one imaginary eigenvalue in the vibration spectrum existed (a true saddle point). In each case the reaction pathway included the hydrogen bonding of CO with a silicon, exothermic pentacoordinate bonding to silicon by the CO and weakening of the Si‐O bridging bonds of the ring, and, finally, the incorporation of CO into the ring, forming a silica–carbonate ring. The activation for the ring expansions are +4.3, +6.1, +7.0, and −2.9 Kcal/mol for 3‐, 4‐, 5‐, and 6‐“member” silica rings, respectively. The volumetric expansion of the silica was estimated based upon the dilation of adjacent silicon–silicon atomic distances. The dimensional change was calculated to be 3.9%, 21.3%, 19.4%, and 24.2% for 3‐, 4‐, 5‐, and 6‐membered silica‐carbonate rings, respectively. © 1997 John Wiley & Sons, Inc.
Journal of Biomedical Materials Research Part A – Wiley
Published: Aug 1, 1997
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