• Journal of the Korean Chemical Society
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• v.55 no.3
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• pp.405-411
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• 2011

The ab initio calculations for fluoromethyl fluoroperoxides have been carried out using MP2/6-311G(d,p) and B3LYP/6-311++G(d,p) method. The structural optimizations were performed for several isomers and conformers of methyl fluoroperoxide, $CH_3OOF$ and the vibrational frequencies were calculated. The most stable conformer of $CH_3OOF$ is skew form and has fairly short O-O bond distance. The trans and cis conformers have 8-12 kcal/mol higher energies than skew form and the other isomers are very unstable. The structures of $CH_2FOOF$, $CHF_2OOF$ and $CF_3OOF$ are also optimized and vibrational frequencies were calculated. These molecules also have skew forms as the lowest energy conformers. The O-O bond distances are longer and C-O bond distances are shorter than $CH_3OOF$, but the structural parameters are almost independent of the number of fluorine atoms in methyl group.

• Journal of the Korean Chemical Society
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• v.29 no.4
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• pp.348-355
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• 1985

Extended Huckel Calculation of cis-and trans-dichloro diammine platinum(II), dichloroethylene diamine platinum(II) and their N-mono, di, tri and tetra-methylated or ethylated ones were carried out to investigate their anticancer activity. It was found that the net charge of two chlorine atoms in cis-isomers are greater than those in trans-ones and Pt-Cl bond energies of the former are less than that of the latter, indicating that Pt-Cl bond in cis-isomers has greater ionic character than that in trans-ones and Cl atoms in the former are easier to dissociated as Cl- than those in the latter. Also, the values of $b_{2g}-b_{1g}$ energy difference, ${\Delta}_1$ were found to be greater in cis-isomers than in trans-one without exceptions. For the substitution of methyl for H atom in ammine and ethylenediamine Pt-Cl bond strength shows the tendency to increase with increasing in number of methyl group. Accordingly, We believe that two Cl atoms in $PtLCl_2$-complexes (L: NH$_3$, en) are dissociated in the first step of the action of anticancer.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.16 no.8
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• pp.1747-1752
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• 2012

The SiOC film of carbon centered system was prepared using bistrimethylsilylmethane (BTMSM) and oxygen mixed precursor by the chemical vapor deposition. The dielectric constant is measured by MIS(metal/insulator/Si) structure, but it could decrease the reliability because the uniformity is not assured. To research the dielectric constant of SiOC film, the range of low polarization was researched in SiOC film using the optical analysis and hardness, and then calculated the dielectric constant of SiOC film with amorphous structure of high degree. After annealing, the dielectric constant of SiOC film was decreased owing to the lowering of polarization, and FTIR spectra of the main bond was shifted to higher wave number. The main bond of 950~1200 cm-1 was composed of the Si-C and Si-O bonds. The intensity increases in Si-O bond infers the bonding strength became stronger than that of deposited film. Annealed SiOC film showed 2.06 in dielectric constant.

• The Journal of Advanced Prosthodontics
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• v.10 no.5
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• pp.340-346
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• 2018

PURPOSE. In this study, the shear bond strengths (SBS) of luting cements to fixed superstructure metal surfaces under various seating forces were investigated. MATERIALS AND METHODS. Seven different cements [Polycarboxylate (PCC), Glass-Ionomer (GIC), Zinc phospahate (ZPC), Self-adhesive resin (RXU), Resin (C&B), and Temporary cements ((RXT) and (TCS))] were bonded to a total number of 224 square blocks ($5{\times}5{\times}3mm$) made of one pure metal [Titanium (CP Ti) and two metal alloys [Gold-Platinum (Au-Pt) and Cobalt-Chrome (Co-Cr)] under 10 N and 50 N seating forces. SBS values were determined and data were analyzed with 3-way ANOVA. Pairwise comparisons and interactions among groups were analyzed with Tukey's simultaneous confidence intervals. RESULTS. Overall mean scores indicated that Co-Cr showed the highest SBS values ($1.96{\pm}0.4$) (P<.00), while Au-Pt showed the lowest among all metals tested ($1.57{\pm}0.4$) (P<.00). Except for PCC/CP Ti, RXU/CP Ti, and GIC/Au-Pt factor level combinations (P<.00), the cements tested under 10 N seating force showed no significantly higher SBS values when compared to the values of those tested under 50 N seating force (P>.05). The PCC cement showed the highest mean SBS score ($3.59{\pm}0.07$) among all cements tested (P<.00), while the resin-based temporary luting cement RXT showed the lowest ($0.39{\pm}0.07$) (P<.00). CONCLUSION. Polycarboxylate cement provides reliable bonding performance to metal surfaces. Resin-based temporary luting cements can be used when retrievability is needed. GIC is not suitable for permanent cementation of fixed dental prostheses consisting of CP Ti or Au-Pt substructures.

• Journal of the Korea Concrete Institute
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• v.23 no.6
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• pp.781-790
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• 2011

This paper contains the experimental results on strengthening effect of RC beams strengthened with NSM CFRP reinforcement and various strengthening details. A total of 14 beams have been tested to analyze strengthening effects of NSMR with various reinforcement details. Variables were cross-sectional shape of CFRP reinforcements, strengthening areas, grooves the number and location etc. Test results revealed that failure modes of NSMR showed two types. One was bond failure at interface between concrete and filler and the other was CFRP rupture. Also, failure mode of specimens with two grooves occurred premature bond failure because of superposition of failure surfaces at concrete around grooves. failure mode of MI specimens considered the equivalent section have changed bond failure to CFRP rupture and CFRP efficiency has improved 83% to 100%.

• Restorative Dentistry and Endodontics
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• v.45 no.2
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• pp.13.1-13.10
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• 2020

Objective: The aim of this study was to evaluate the influence of different modeling agents on the surface microhardness (Vickers hardness number; VHN), roughness (Ra), and color change (ΔE) of a nano-hybrid composite with or without exposure to discoloration by coffee. Materials and Methods: Sixty-four cylinder-shaped nano-hybrid composite specimens were prepared using a Teflon mold. The specimens' surfaces were prepared according to the following groups: group 1, no modeling agent; group 2, Modeling Liquid; group 3, a universal adhesive (G-Premio Bond); and group 4, the first step of a 2-step self-adhesive system (OptiBond XTR). Specimens were randomly allocated into 2 groups (n = 8) according to the storage medium (distilled water or coffee). VHN, Ra, and ΔE were measured at 24 hours, 1 week, and 6 weeks. The Kruskal-Wallis test followed by the Bonferroni correction for pairwise comparisons was used for statistical analysis (α = 0.05). Results: Storage time did not influence the VHN of the nano-hybrid composite in any group (p > 0.05). OptiBond XTR Primer application affected the VHN negatively in all investigated storage medium and time conditions (p < 0.05). Modeling Liquid application yielded improved Ra values for the specimens stored in coffee at each time point (p < 0.05). Modeling Liquid application was associated with the lowest ΔE values in all investigated storage medium and time conditions (p < 0.05). Conclusion: Different types of modeling agents could affect the surface properties and discoloration of nano-hybrid composites.

• Restorative Dentistry and Endodontics
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• v.26 no.1
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• pp.23-31
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• 2001

The purpose of this study was to search the optimal silane concentrations for filler- silanization of seven experimental composites. Silica filer was a 25micron crushed type. 0.0%, 0.5%, 1.0%, 1.5%, 2.0%, 2.5%, and 3.0% silane($\gamma$-methacrylooxypropyltrimethoxysilane)were added into silica-filler with weight percentage (wt%). Mixtures(silica filler/silane)were reacted at 6$0^{\circ}C$ for 72hours, and crushed into fine particles those were used as fillers for 7 experimental composites. Monomer was a 3 : 1 mixture of Bis-GMA and TEGDMA containing 0.2% tertiary amine and 0.4% camphoroquinone for light curability. A ratio for mixing the monomer and filler was 75% and 25% respectively. Seven experimental composites was classified with the concentration of silane treated, and the specimen number for each test was 10. Specimens with 6mm diameter and 3mm height dimension for measuring the diametral tensile strength were destroyed with 1mm/min cross-head speed on Instron universal testing machine (No. 4467, USA). Shear bond strength was measured on the specimens bonded to bovine enamel etched with 37% phosphoric acid solution for 1 minute Fractured surfaces were observed by SEM (Hitachi S-3200, Japan) among that of the highest values measured from each groups. Following results were obtained: 1. Experimental composites containing silanized filter showed the significantly higher diametral tensile strength and shear bond strength than the composites containing un-silanized fillers(Group1) (p<0.05). 2. In silanized filler composite resins(Group 2~7), Diametral tensile strength of Group 3 showed the significantly higher than that of Group 2 and Group 6(p<0.05). 3. Shear bond strength was higher in Group 3 than that of Group 7 (p＜0.05)in silanized fillers composite resins. 4. Fracture surface was formed in resin matrixes on the specimens from composites containing the fillers treated with 0.5% 1.0%, and 1.5% silane. These results mean that the optimal silane concentrations are exist for each fillet with its size and surface area, and that 1.0% is a optimal value for concentration to coat the 25$\mu\textrm{m}$ filler with silane.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.39 no.4
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• pp.359-370
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• 2015

The present study aims to numerically investigate the behavior of liquid droplet driven by capillarity force imbalance on horizontal surfaces ranging from hydrophilic to hydrophobic, under various conditions. The droplet behavior has been simulated using an in-house solution code(PowerCFD), which employs an unstructured cell-centered method based on a conservative pressure-based finite-volume method with interface capturing method(CICSAM) in a volume of fluid(VOF) scheme for phase interface capturing. The detailed droplet behavior was obtained under various conditions for droplets with different initial shapes, contact angles and surface tension forces(or Bond number). The mechanism of droplet transport was examined using the numerical results on the droplet shapes.

• Reproductive and Developmental Biology
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• v.34 no.3
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• pp.117-122
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• 2010

To search the potent pig pheromonal odorants through receptor-based approach methods, molecular dockings between 680 Flavomets as substrate molecule and pig odorants binding proteins OBP (1HQP) and PBP (1GM6) as receptor, and QSPR (quantitative structure-property relationship) analyses from physico-chemical parameters of Flavomets and their docking scores (DS) were performed and discussed quantitatively. From the basis on the findings, the optimal value $(MSA)_{opt.}=407.595\;{\AA}^2$ of MSA (molecular surface area; ${\AA}$), and RB (number of rotational bond) had the Flavomets will be able to increase DS. Therefore, it is expected that the stearyl alcohol from DS and H-bond type between substrate and receptor would be shows the character as potent pig pheromonal odorant.

• Journal of the Korean Ceramic Society
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• v.33 no.4
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• pp.385-390
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• 1996

The electrical resistivity of the ceramic glaze coated on ceramic substrate plays an important role on the characteristics of the thick and thin film electrical circuits. In this study the effects of the various modifiers on the electrical resistivity were examined in SiO2-Al2O3-B2O3-RO-Na2O (RO=CaO , SrO, BaO, PbO) glass system. In alkali free glasses where divalent cations are responsible for electrical conduction the electrical conductivity of th glasses increased with the ionic size of divalent cations due to the decrease in the bond strength between oxyben and divalent cation. In Na2O containing glasses however where Na+ ion is responsible for electrical conduction the ionic conductivity decreased with the ionic size of divalent cations because the blocking effect of the cations on Na+ ion movement increased with larger divalent cations. Na+ ionic conduction also depended on the glass structure relaxation due to the corrdination number changes of B2O3 and Al2O3 which varied with the NaO2 content in the glass.