• Bulletin of the Korean Chemical Society
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• v.2 no.3
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• pp.112-114
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• 1981

The photocycloaddition reaction of 8-methoxypsoralen with purine and/or pyrimidine bases is studied as a model for the charge transfer interactions of psoralens with DNA bases by the FMO method. The results indicate that, in the case of the molecular complex formation between psoralens and purine and/or pyrimidine bases, the most probable photocycloaddition should occur in the following order: Thy (5,6)<>(3,4) 8-MOP, Cyt(5,6)<>(3,4)8-MOP, Ade (7,8)<>(3,4)8-MOP, Gua(7,8)<>(3,4)8-MOP. The theoretical results for the photocycloaddition reaction are also correlated with the experimental results. The photoadducts between 8-methoxypsoralen and adenine are likely to be C4-cycloadducts through the cycloaddition of 3,4-pyrone double bond of 8-methoxypsoralen to 7,8-double bond of adenine.

• Bulletin of the Korean Chemical Society
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• v.17 no.2
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• pp.131-138
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• 1996

The conformational transition of oligopeptide multimer,-(HPPHPPP)n-, is studied (H:hydrophobic amino acid, P:hydrophilic amino acid). The helix/coil transitions are detected in the multimer. The transition depends on the number of amino acid in the sequence, the concentration of the oligopeptide, and temperature which affects helix stability constant (${\xi}$) and hydrophobic interaction parameter (wj). In the thermodynamic equilibrium system jA${\rightarrow}$Aj (where A stands for oligopeptide monomer), Skolnick et al., explained helix/coil transition of dimer by the matrix method using Zimm-Bragg parameters ${\xi}$ and $\sigma$ (helix initiation constant). But the matrix method do not fully explain dangling H-bond effects which are important in oligopeptide systems. In this study we propose a general theory of conformational transitions of oligopeptides in which dimer, trimer, or higher multimer coexists. The partition of trimer is derived by using zipper model which account for dangling H-bond effects. The transitions of multimers which have cross-linked S-S bonds or long chains do not occur, because they keep always helical structures. The transitions due to the concentration of the oligopeptides are steeper than those due to the chain length or temperature.

• Advances in materials Research
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• v.8 no.1
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• pp.1-10
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• 2019

Roll bonding (RB) process of bi-metal laminates as a new noble method of bonding has been widely used in the production of bimetal laminates. In the present study, asymmetric roll bonding process as a new noble method has been presented to produce Al/Cu bimetallic laminates with the thickness reduction ratios 10%, 20% and 30% together with mismatch rolling diameter ($\frac{R_2}{R_1}$) ratio 1:1, 1:1.1 and 1:1.2. ABAQUS as a finite element simulation software was used to model the deformation of samples. The main attention in this study focuses on the bonding properties of Al/Cu samples. The effect of the $\frac{R_2}{R_1}$ ratios was investigated to improve the bond strength. During the simulation, for samples produced with $\frac{R_2}{R_1}=1:1.2$, the vertical plastic strain of samples was reach the maximum value with a high quality bond. Moreover, the peeling surface of samples after the peeling test was investigated by the scanning electron microscopy (SEM).

• Bulletin of the Korean Chemical Society
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• v.8 no.4
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• pp.298-300
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• 1987

The theoretical studies on the photocycloaddition reaction of 5,7-dimethoxycoumarin and 4',5'-dihydropsoralen with thymidine were carried out as a model for photosensitizing reaction of psoralen with DNA. The results are in reasonable agreement with experimental observations. The photoadducts between dimethoxycoumarin and thymidine were predicted to be $C_{4}$-cycloadducts through the cycloaddition of 3,4-pyrone double bond of dimethoxycoumarin to 5,6 double bond of thymidine. The major photoadduct of 4',5'-dihydropsoralen with thymidine has the anti head-to-head stereochemistry.

• International Journal of Advanced Culture Technology
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• v.11 no.2
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• pp.323-329
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• 2023

In this study, Proline pentamer model was used to investigate change in the dihedral angle, intramolecular hydrogen bonding and formation energies during structural optimization. L-Proline (LP, as an imino acid residue) pentamers having four conformation types [β: φ/ψ=t−/t+, α: φ/ψ=g−/g−, PP_II: φ/ψ=g−/t+ and Plike: φ/ψ= g−/g+] were carried out by QCC [B3LYP/6-31G(d,p)]. The optimized structure and formation energy were examined for designated structure. In LP, P-like and PP_II types did not change by optimization, and β types were transformed into PP_II having no H-bond independently of the designated ψ values. PP_II was more stable than P-like by about 2.2 kcal/mol/mu. The hydrogen bond distances of d2(4-6) type H-bonds were 1.94 - 2.00Å. In order to understand the processes of the transformations, the changes of φ/ψ, distances of NH-OC (d_NH/CO) and formation energies (ΔE, kcal/mol/mu) were examined.

• The korean journal of orthodontics
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• v.26 no.3
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• pp.309-316
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• 1996

The purpose of this study was to determine the effect of salivary contamination of etched enamel on shear bond strength of a bracket adhered to etched enamel. Eighty extracted human permanent premolars were used in this study. These samples were divided into two groups. Buccal surface of samples were etched in vitro with 38% phosphoric acid for 15 seconds and 60 seconds. Each group was divided into four subgroups. Etched enamel surfaces were contaminated with saliva for 0, 1, 20, 60 seconds, washed and dried. Test surfaces were examined using scanning electron microscope(SEM). The shear bond strength of each sample was determined with a universal testing instrument(Instron Co. Model 4201). Results were as follows; 1. Salivary contamination for 1, 20, 60 seconds did not affect shear bond strength when compared with the uncontaminated enamel group. 2 There was no significant difference(P>.05) in shear bond strength between 15 sec. and 60 sec. etching in uncontaminated enamel groups. 3. When samples were examined using SEM, organic materials coated enamel surface masked the etched pattern partially.

• Proceedings of the Korea Concrete Institute Conference
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• 1995.04a
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• pp.325-330
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• 1995

Three types of model concrete with different mix ratios for 1/10 scale reinforced concrete model were made and tested to find the best solution for the simulation of mechanical characteristics of prototype concrete. Scaled reinforcing materials in diameter(D1.8) having similar con-figuration and mechanical properties with commercial deformed bars(D19) were prepared for 1/10 scale model tests of reinforced concrete structures. Two types of model test using D1.8 model reinforcing bars and model concrete, monotonic simple beam test and cyclic cantilever beam test, were performed to ensure and check the similitude of bond behavior between 1/10 scale model and prototype. The test results showed that the flexural behavior of 1/10 scale models can be simulated with accuracy enough for practical use in monotonic and cyclic loading test.

• The Journal of Korean Academy of Prosthodontics
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• v.47 no.1
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• pp.46-52
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• 2009

Statement of problem: Recently, titanium has become popular as superstructure material in implant dentistry because titanium superstructure can be easily milled by means of computer-aided design and manufacture (CAD/CAM) technique. But retention form such as nail head or bead cannot be cut as a result of technical limitation of CAD/CAM milling and bond strength between titanium and porcelain is not as strong as that of conventional gold or metal alloy. Purpose: The objective of this study was to evaluate the shear bond strength of three different materials: heat curing resin, composite resin, porcelain which were bonded to grade II commercially pure Titanium (CP-Ti). Material and methods: Thirty seven CP-Ti discs with 9 mm diameter, 10 mm height were divided into three groups and were bonded with heat curing resin (Lucitone 199), indirect composite resin (Sinfony), and porcelain (Triceram) which were mounted in a former with 7 mm diameter and 1 mm height. Samples were thermocycled for 1000 cycles at between $5-55^{\circ}C$. Shear bond strength (MPa) was measured with Instron Universal Testing Machine with cross head speed of 1 mm/min. The failure pattern was observed at the fractured surface and divided into adhesive, cohesive, and combination failure. The data were analyzed by one-way ANOVA and Scheffe's multiple range test (${\alpha}=0.05$). Results: Lucitone 199 ($17.82{\pm}5.13\;MPa$) showed the highest shear bond strength, followed by Triceram ($12.97{\pm}2.11\;MPa$), and Sinfony ($6.00{\pm}1.31\;MPa$). Most of the failure patterns in Lucitone 199 and Sinfony group were adhesive failure, whereas those in Triceram group were combination failure. Conclusion: Heat curing resin formed the strongest bond to titanium which is used as a CAD/CAM milling block. But the bond strength is still low compared with the bond utilizing mechanical interlocking and there are many adhesive failures which suggest that more studies to enhance bond strength are needed.

• Bulletin of the Korean Chemical Society
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• v.14 no.2
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• pp.255-258
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• 1993

Molecular dynamics (MD) calculations were carried out in order to investigate the effect of MD cell size to predict the melting phenomena of A-type zeolite. We studied two model systems: a pseudocell of $(T_2O_4Na)_n$, (L= 12.264 $^{\AA}$, N= 84) and a true-cell of (SiAlO$_4Na)_n$. (L= 24.528 $^{\AA}$, N= 672), where T is Si or Al. The radial and bond angle distribution functions of T(Si, Al)-O-T(Si, Al) and diffusion coefficients of T and O were reported at various temperatures. For the true-cell model, the melting temperature is below 1500 K and probably around 1000 K, which is about 600-700 K lower than the pseudocell model. Although it took more time (about 30 times longer) to obtain the molecular trajectories of the true-cell model than those of the pseudocell model, the true-cell model gave more realistic structural transition for the A-type zeolite, which agrees with experiment.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.15 no.1
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• pp.69-84
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• 2002

In this papers, an analytical model which can simulate the post-cracking behavior and tension stiffening effect in a reinforced concrete(RC) tension member is proposed. Unlike the classical approaches using the bond stress-slip relationship or the assumed bond stress distribution, the tension stiffening effect at post-cracking stage is quantified on the basis of polynomial strain distribution functions of steel and concrete, and its contribution is implemented into the reinforcing steel. The introduced model can be effectively used in constructing the stress-strain curve of concrete at post-cracking stage, and the loads carried by concrete and reinforcing steel along the member axis can be directly evaluated on the basis of the introduced model. In advance, the prediction of cracking loads and elongations of reinforced steel using the introduced model shows good agreement with results from the previous analytical studies and experimental data.