• Bulletin of the Korean Chemical Society
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• v.28 no.9
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• pp.1588-1590
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• 2007

• Bulletin of the Korean Chemical Society
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• v.25 no.11
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• pp.1631-1632
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• 2004

• The korean journal of orthodontics
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• v.27 no.5 s.64
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• pp.781-789
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• 1997

The purpose of this study was to evaluate the effects of fluoride relasing orthodontic sealant on the shear bond strength of light-and chemical-cured orthodontic rosins, to compare the shear bond strenth with light-and chemical-cured orthodontic resins, and to identify the changes of shear bond strength by rebonding in vitro. The brackets were divided into eight groups. Each group of metal brackets had different bonding mechanisms with adhesives. Group A : Transbond only Group B : Mono-Lok 2 only Group C : Light cured FluoroBond+Transbond Group D : Light cured FluoroBond+Mono-Lok 2 Group E : Transbond only(rebonded) Group F : Nomo-Lok 2 only(rebonded) Group G : Light cured FluoroBond+Transbond(rebonded) Group H : Light cured FluoroBond+Mono-Lok 2(rebonded) 65 extracted human premolars were prepared for bonding and 65 metal brackets for each group were bonded to prepared enamel surfaces of buccal surfaces as the above prescription. 24 hours bonding after, the Instron universal testing machine was used to test the shear bond strength of metal brackets to enamel. After debonding, same kind of metal brackets for each group were rebonded to prepared enamel surfaces of buccal surfaces to test the shear bond strength at the rebonding to enamel. Statistical analysis of the data was carried out Student's t-test ANOVA test, and Scheffe test using $SPSS/PC^+$ The results were as follows : 1. The order of shear bond strength was Group B(11.84MPa), Group A(10.75MPa), Group, D(9.69MPa), and Group C(9.39MPa)in lst bonded groups. 2. The order of shear bond strength was Group E(7.40MPa), Group G(6.48MPa), Group F(5.89MPa), and Group H(5.15MPa) in rebonded groups. 3. The shear bond strength of chemical cured orthodontic rosins had higher than that of light-cured orthodontic resins in all groups, but there was no statistical significance between groups(P>0.05). 4. In rebonded groups, the shear bond strength of light cured orthodontic rosins had higher than that of chemical cured orthodontic resins, but there was no statistical significance between groups(P>0.05). 5. The shear bond strength of all rebonded groups progressively decreased than that of 1st bonded groups, and there was statistical significance between groups(p<0.05, p<0.001).

• Restorative Dentistry and Endodontics
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• v.20 no.2
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• pp.487-507
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• 1995

Composite resin repair requires strong bond strength between the new and old materials. The objective of the current study was to identify the optimal treatments for sufficient bond strengths. Bondings between same kinds of materials and cross bondings using chemical curing composites and light curing composites were tested. Surface treatments included the methods of sand-blasting, acid etching and coating of bonding agent. Seven kinds cases of combinations from three kinds of methods were experimented and compared with a control group of which surfaces were highly polished. Measurements of shear bond strength and observations of surface morphologic changes using a scanning electron microscope were done. Following conclusions were drawn : 1. The highest bond strength among composite resins were exhibited by the treatment of the sand-blasting and the coating of bonding agent. 2. Acid etched surfaces showed the lowest bond strength. Bond strengths obtained from experimental groups including acid etching were lower than those obtained from same kinds of experimental groups without acid etching. 3. Simple method of the coating of bonding agent produced the slightly increased bond strength on chemical curing composite and reduced bond strength on light curing composite. 4. Bonding surfaces of chemical curing composite resin showed slightly higher bond strengths than light curing composite resin, however significant differences were not confirmed statistically. 5. More significant irregular surfaces were created by sand-blasting method than acid etching method. 6. A principal component of fillers of both resins was silicon. Acid etching method produced the seperations and degradations of fillers, these were significant on light curing composite resins which containing barium fillers.

• Bulletin of the Korean Chemical Society
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• v.35 no.9
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• pp.2717-2722
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• 2014

The reaction mechanism between azacyclopropenylidene and epoxypropane has been systematically investigated employing the second-order M${\o}$ller-Plesset perturbation theory (MP2) method to better understand the reactivity of azacyclopropenylidene with four-membered ring compound epoxypropane. Geometry optimization, vibrational analysis, and energy property for the involved stationary points on the potential energy surface have been calculated. It was found that for the first step of this reaction, azacyclopropenylidene can insert into epoxypropane at its C-O or C-C bond to form spiro intermediate IM. It is easier for the azacyclopropenylidene to insert into the C-O bond than the C-C bond. Through the ring-opened step at the C-C bond of azacyclopropenylidene fragment, IM can transfer to product P1, which is named as pathway (1). On the other hand, through the H-transferred step and subsequent ring-opened step at the C-N bond of azacyclopropenylidene fragment, IM can convert to product P2, which is named as pathway (2). From the thermodynamics viewpoint, the P2 characterized by an allene is the dominating product. From the kinetic viewpoint, the pathway (1) of formation to P1 is primary.

• Journal of the Korean Chemical Society
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• v.9 no.3
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• pp.148-151
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• 1965

Kinetics of reactions of chloride and bromide ions with benzyl chloride and bromide have been investigated in 90% ethanol solution. Semi-quantitative analysis of the results shows that the bond-formation is more important than the bond-breaking and furthermore in bond-formation the energy gain due to bond-formation is less than the increase in electron affinity of the nucleophile.

• Bulletin of the Korean Chemical Society
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• v.23 no.12
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• pp.1811-1815
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• 2002

We have calculated energies and structures for the hydrogen bonded clusters between trimethyl phosphate and nitric acids. The hydrogen bond lengths between phosphoryl oxygen and the proton of nitric acid are short compared to normal hydrogen bonds, and the H-bond strengths are fairly strong. The hydrogen bond length becomes longer, and the strength becomes weaker, as more nitric acids are bound to the TMP. The average H-bond strengths for the $TMP-(HNO_3)_n$ complexes with n = 1, 2, and 3, are 9.6, 7.9 and 6.4kcal/mol at 300K respectively. Weak hydrogen bonds between nitrate oxygen and methyl proton might contribute to the stability of the clusters. Not only the BSSE but also the fragment relaxation energies should be considered to calculate hydrogen bond strengths for the complexes accurately.

• Bulletin of the Korean Chemical Society
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• v.5 no.2
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• pp.68-73
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• 1984

An enhancement of through-bond interaction by bond angle distortion in pyrazine was examined using various MO methods. Results of MINDO/3 geometry optimization with an angle (${\alpha}$) at $C_2$ atom fixed to 120∼90$^{\circ}$ lead to distorted structures in which the distorted bond is brought closer toward lone pair orbital n of N atom. It was also found that the bond angle distortion increased the P character at the atom $C_2$, resulting in an increased vicinal overlap between n and the $C_2-C_3$ bond. The FMO patterns of ${\sigma}$ framework showed three-fold degeneracy, one of which was of different symmetry which mixes in the symmetry adapted pair, $n_+\;and\;n_-;\;both\;n_+\;and\;n_-$ orbitals thus can interact with both FMOs of the ${\sigma}$ framework. The LCBO-MO analysis with partial elimination of bonds, antibonds or both, however, revealed that the main interaction of $n_+$ was with the HO-${\sigma}$ and that of $n_-$ was with the LU-${\sigma}^{\ast}$ orbital of the ${\sigma}$ framework.

• Bulletin of the Korean Chemical Society
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• v.20 no.4
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• pp.445-450
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• 1999

Molecular dynamics (MD) simulation of non-rigid H-Y zeolite framework are performed at 298.15 and 5.0 K. Usual bond stretching, bond angle bending, torsional rotational, and non-bonded Lennard-Jones and electrostatic interactions are considered as intraframework interaction potentials. Calculated atomic parameters are in good agreement with the experiment, which indicates the successful reproduction of the framework structure and its motion. Both calculated bond lengths and bond angles are also in good agreement with the experiment except generally for a little longer bond lengths and a little smaller T-O-H bond angles. The calculated overall site occupation of HI keeps the order O(2) > O(3) > O(4) > O(t) at 298.15 K, which is very different from the experimental prediction, O(l) > O(3) > O(2) at 5 K. Calculated IR spectra of the H-Y zeolite framework show that most of the main peaks of the O-H bonds are in the broad region 3700-5000 cm-1 and that the O-T stretching bands appeared in 0-2000 cm-1 and at 2700 cm-1

• Journal of the Korean Chemical Society
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• v.63 no.4
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• pp.237-245
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• 2019

Hydrogen bihalide anions, $XHX^-$ (X = F, Cl, and Br) have been studied by high level ab initio methods to determine the molecular structure, vibrational frequencies, and energetics of the anions. All bihalide anions are found to be of linear and symmetric structures, and the calculated bond lengths are consistent with experimental data. The harmonic frequencies exhibit large deviations from the experimental frequencies, suggesting the vibrations of these anions are very anharmonic. Two different approaches, the VSCF and VPT2 methods, are employed to calculate the anharmonic frequencies, and the results are compared with the experimental frequencies. While the ${\nu}_1$ and ${\nu}_2$ frequencies are in reasonable agreement with the experimental values, the ${\nu}_3$ and ${\nu}_1+{\nu}_3$ frequencies still exhibit large deviations. The hydrogen-bond energies and enthalpies are calculated at various levels including the W1BD and G4 composite methods. The hydrogen-bond enthalpies calculated are in good agreement with the experimental values.