• Bulletin of the Korean Chemical Society
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• 제28권9호
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• pp.1588-1590
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• 2007

• Bulletin of the Korean Chemical Society
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• 제25권11호
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• pp.1631-1632
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• 2004

• 대한치과교정학회지
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• 제27권5호
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• pp.781-789
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• 1997

본 연구는 교정치료를 위해 최근에 발거된 소구치 65개를 대상으로 발거직후 부착된 이물질을 제거하고 생리식염수에 담구어 보관한 후 법랑질을 퍼미스 및 $38\%$ 인산으로 표면 처리하고 불소가 유리되는 교정용 전색제로는 광중합형 FluoroBond, 광중합 접착제로는 Transbond, 화학중합 접착제로는 Mono-Lok 2를 선정하여 1차 부착 및 재부착시의 전단결합강도를 만능강도시험기로 측정함으로서, 치아우식 예방 및 진행 억제효과를 지닌 불소가 유리되는 교정용 전색제가 광중합형 및 화학중합형 교정용 접착제의 전단결합강도에 미치는 영향과 재부착에 의한 전단결합강도의 변화를 규명하고, 광중합형 접착제와 화학중합형 접착제 사이의 전단결합강도를 비교하여 다음의 결론을 얻었다. 1. 1차부착에 의한 전단결합강도의 크기는 Mono-Lok2군(11.84MPa), Trans bond군(10.75MPa), Light cured FluoroBond+Mono-Lok 2군(9.69MPa), Light cured FluoroBond+Transbond군(9.39MPa)순이었다. 2. 재부착에 의한 전단결합강도의 크기는 Transbond군(7.40MPa), Light cured FluoroBond+Transbond군(6.48MPa), Mono-Lok 2군(5.89MPa), Light cured FluoroBond+Mono-Lok 2군(5.15MPa)순이었다. 3. 불소가 유리되는 교정용 전색제를 적용한군과 적용하지 않은 군 모두에서 화학중합형 접착제가 광중합형 접착제보다 높은 전단결합강도를 보였으나 통계학적으로 유의한 차이는 없었다(p>0.05). 4. 불소가 유리되는 교정용 전색제를 적용한군과 적용하지 않은 군 모두에서 재부착된 광중합형 접착제가 재부착된 화학중합형 접착제보다 높은 전단결합강도를 보였으나 통계학적으로 유의한 차이는없었다(p>0.05). 5. 1차 부착된 군에 비해 재부착된 모든 군에서 전단결합강도가 현저하게 감소되었으며, 통계학적으로 유의한 차이를 보였다(p<0.05 p<0.001). 이상의 결론을 종합해볼 때 임상적으로 브라켓의 전단결합강도에 경향을 미치지 않는 불소가 유리되는 교정용 전색제를 치아 협면에 적용하여 불소의 유리에 의한 치아우식 예방 및 억제효과를 기대하는 것이 필요할 것으로 생각된다.

• Restorative Dentistry and Endodontics
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• 제20권2호
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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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• 제35권9호
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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.

• 대한화학회지
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• 제9권3호
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• pp.148-151
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• 1965

Benzyl chloride 및 bromide와 chloride 및 bromide ion 간의 반응을 90% ethanol 용액에서반응속도론적으로 연구하였다. 반 정량적인 결과의 해석은 bond-formation 이 bond-breaking보다 더 중요하고 또 결합형성 과정에서는 형성으로 얻은 energy보다는 nucleophile의 electron affinity의 증가로 인한 차이가 더 중요함을 보여주고 있다.

• Bulletin of the Korean Chemical Society
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• 제23권12호
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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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• 제5권2호
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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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• 제20권4호
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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

• 대한화학회지
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• 제63권4호
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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.