Conformational and Quantum Analysis of Dental Adhesive Carboxylic Acid and Carboxylic Acid Anhydride Monomers
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概要
- 論文の詳細を見る
The conformational and quantum analyses of dental adhesive carboxylic acid and carboxylic acid anhydride monomers were preformed. Conformational analyses were carried out by a molecular mechanics calculation. 4-META and 4-AETA showed more compact conformation than 4-MET. Quantum analyses were performed by semi-empirical molecular orbital calculation. 4-MET had a higher dipole moment, polarizability, and HOMO and LUMO energy than 4-META and 4-AETA. The bond lengths and bond orders of the carbonyl groups of the trimellitic acid moiety of 4-MET were different from those of carbonyl groups of the trimellitate anhydride moieties of 4-META and 4-AETA. Oxygen of the methacryloyl or acryloyl groups showed the highest electron densities among the oxygen atoms for all monomers. The superdelocalizabilities of oxygen atoms of the trimellitic acid moiety of 4-MET were greater than that of oxygen of the methacryloyl group. A small change in the bond length of the Ca-O bond showed a large difference in the steric energies of 4-MET/Ca salt.
- 日本歯科理工学会の論文
著者
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HAYAKAWA Tohru
Department of Dental Biomaterial, Nihon University School of Dentistry at Matsudo
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NEMOTO Kimiya
Department of Dental Biomaterials, Nihon University School of Dentistry at Matsudo
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Nemoto Kimiya
日本大学松戸歯学部口腔科学研究所
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Nemoto Kimiya
Department Of Dental Biomaterials Research Institute Of Oral Science Nihon University School Of Dent
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Nemoto Kimiya
Department Of Dental Materials Nihon University School Of Dentistry
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Nemoto Kimiya
Department Of Dental Biomaterials Nihon University School Of Dentistry At Matsudo
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Nemoro Kimiya
Department Of Dental Biomaterials Nihon University School Of Dentistry At Matsudo
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Nemoro Kimiya
日本大学松戸歯学部 歯科理工学
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Hayakawa Tohru
Nihon Univ. School Of Dentistry At Matsudo Chiba Jpn
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Hayakawa Tohru
Nihon Univ. Graduate School Of Dentistry At Matsudo Chiba Jpn
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Hayakawa Tohru
Department Of Appilied Biology Faculty Of Textile Science Kyoto Institute Of Technology
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Hayakawa Tohru
Laboratory Of Applied Biotechnology Graduate School Of Science And Technology Niigata University
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KIKUTAKE Kazuyo
Department of Dental Materials, Nihon University School of Dentistry
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Kikutake Kazuyo
Department Of Dental Materials Nihon University School Of Dentistry
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Nemoto K
Nihon Univ. School Of Dentistry At Matsudo Chiba Jpn
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Hayakawa T
Department Of Dental Materials Research Institute Of Oral Science Nihon University School Of Dentist
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