• 제목/요약/키워드: Bond number

검색결과 309건 처리시간 0.026초

Methyl fluoroperoxide와 fuoromethyl fluoroperoxides의 conformers와 isomers 구조에 대한 이론연구 (Computational Investigation of Isomeric and Conformeric Structures of Methyl Fluoroperoxide and Fluoromethyl Fluoroperoxides)

  • 이경민;성은모
    • 대한화학회지
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    • 제55권3호
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    • pp.405-411
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    • 2011
  • Methyl hydro-peroxide의 methyl group과 O-H에 F를 치환 시킨 fluoromethyl fluoroperoxide($CH_nF_{3-n}OOF$)의 안정한 conformers와 isomers에 대하여 MP2/6-311G(d,p) 방법과 B3LYP/6-311++G(d,p) 방법으로 최적화 계산을 수행하였고 vibrational frequencies를 구하였다. $CH_3OOF$$CH_2FOOF$, $CHF_2OOF$, $CF_3OOF$ 분자 모두 가장 안정한 형태는 skew 구조로 나타났으며 $CH_3OOH$와 비교할 때 대단히 짧은 O-O 결합길이를 갖는다. Trans, cis conformers의 경우 skew 형태보다 8-12 kcal/mol 정도 높은 에너지를 갖으며 O-O 결합길이는 훨씬 길어진다. $CH_2FOOF$, $CHF_2OOF$, $CF_3OOF$ 분자들은 methyl group의 F에 의한 induction 효과로 짧은 C-O 결합길이를 갖고 O-F 결합길이는 길어지나 치환된 F 원자의 수에 따른 구조변화는 그리 크지 않다.

백금착물 (II) 의 항암성에 관한 분자궤도론적 해석 (제1보) (MO Interpretation for Anticancer Activity of Pt-complexes)

  • 박병각;여환진
    • 대한화학회지
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    • 제29권4호
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    • pp.348-355
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    • 1985
  • 본 연구에서는 백금착물, $[PtA_2Cl_2]\;(A:\;NH_3$ 및 en과 그 유도체)형의 항암성 메카니즘의 첫 단계에서 두 개의 염소 원자가 분리된다고 가정하고 이 분리의 용이성을 Extended Huckel법에 의해서 양자화학적 양을 조사하였다. 백금착물의 전체에너지가 높을수록, Pt의 d-전자의 전이가 용이할수록, Cl의 net charge의 (-)값이 클수록, Pt-Cl사이의 Cl의 이탈이 용이하여진다고 생각된다. 그리고 실험적으로 항암성이 있다고 보고된 Pt(II)착물에서 Cl의 이탈용이도가 컸다. 따라서 $PtLCl_2$형 항암제(L:NH$_3$, en)$에서 항암작용의 첫 단계로서 Cl의 해리과정이 중요하다고 예측된다.

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SiOC 박막에서 열처리에 의한 분극의 감쇄현상에 관한 연구 (Study on Lowering of the Polarization in SiOC Thin FIlms by Post Annealing)

  • 오데레사
    • 한국정보통신학회논문지
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    • 제16권8호
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    • pp.1747-1752
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    • 2012
  • 탄소를 포함한 SiOC 박막은 BTMSM과 산소의 혼합 프리커서를 이용하여 CVD방법으로 증착하였다. 전통적으로 유전상수를 측정하기 위해서 MIS(금속/절연막/반도체)방법을 이용하는데 박막의 균일성을 보장할 수 없기 때문에 나타나는 오차의 한계를 보상하기 위해서 광학적인 분석방법과 경도측정 등을 통하여 SiOC 박막이 분극이 낮아지는 영역을 추적하였다. 분극이 낮고 비정질성이 높은 박막에서 유전상수가 낮아지는 특성을 이용하여 유전상수를 도출하였다. 열처리 후 SiOC 박막의 유전상수는 분극의 감소에 의해 감소하였으며, FTIR 분석에 의한 결합신호는 높은 파수 영역으로 이동하였다. 950~1200 cm-1 영역의 주 결합은 Si-C와 Si-O 결합으로 이루어졌으며, Si-O 결합의 강도가 증가한 것은 결합력이 증착한 샘플에서 보다 증가하였다는 것을 의미하며, 열처리 후 더 안정된 박막이 되었다. 열처리 후 SiOC 박막은 유전상수가 2.06으로 낮게 나타났다.

Shear bond strength of luting cements to fixed superstructure metal surfaces under various seating forces

  • Ozer, Fusun;Pak-Tunc, Elif;Dagli, Nesrin Esen;Ramachandran, Deepika;Sen, Deniz;Blatz, Markus Bernhard
    • The Journal of Advanced Prosthodontics
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    • 제10권5호
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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.

다양한 보강상세를 갖는 CFRP로 표면매립 보강된 철근콘크리트 보의 보강효과 (Strengthening Effect of Reinforced Concrete Beams Strengthened with NSM CFRP Reinforcements and Various Reinforcement Details)

  • 정우태;박영환;박종섭;김철영
    • 콘크리트학회논문집
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    • 제23권6호
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    • pp.781-790
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    • 2011
  • 이 연구는 다양한 보강상세를 갖는 CFRP(carbon fiber reinforced polymer)로 표면매립 보강된 철근콘크리트보의 보강효과에 관한 실험연구이다. 다양한 보강상세를 갖는 표면매립공법의 보강효과를 분석하기 위해 실험변수로 CFRP 보강재의 단면형상, 보강량, 매립 개수 및 위치 등의 다양한 보강상세를 적용하여 총 14개의 실험체를 제작하였다. 실험 결과, 표면매립보강의 파괴모드는 보강재 단면형상에 상관없이 보강재와 충전재가 하나로 거동하는 부착파괴 및 보강재 파단을 보였고, 홈 간격에 따라 홈 주변 콘크리트의 파괴면이 중첩되어 조기 부착파괴가 발생하는 것으로 나타났다. 등가 단면을 고려하여 부착상세를 개선한 기계적 맞물림(MI) 실험체의 파괴모드는 기존 부착파괴에서 CFRP 보강재 파단으로 개선되었고, CFRP 효율은 83%에서 100%로 향상되었다.

Influence of modeling agents on the surface properties of an esthetic nano-hybrid composite

  • Kutuk, Zeynep Bilge;Erden, Ecem;Aksahin, Damla Lara;Durak, Zeynep Elif;Dulda, Alp Can
    • Restorative Dentistry and Endodontics
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    • 제45권2호
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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.

필러의 실란처리농도가 복합레진의 특성에 미치는 영향 (INFLUENCES OF SILANE CONCENTRATION FOR FILLER SILANIZATION ON THE PROPERTIES OF COMPOSITES)

  • 조태희;박상진
    • Restorative Dentistry and Endodontics
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    • 제26권1호
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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.

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다양한 조건하에서 모세관력 불균형에 의해 구동되는 수평 표면 위의 액적 거동 (Behavior of Liquid Droplet Driven by Capillarity Force Imbalance on Horizontal Surface Under Various Conditions)

  • 명현국;권영후
    • 대한기계학회논문집B
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    • 제39권4호
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    • pp.359-370
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    • 2015
  • 본 연구는 다양한 조건하에서 모세관력 불균형에 의해 구동되는 수평 표면 위의 액적 거동을 수치해석적으로 연구한 것이다. 액적 거동은 자체개발 코드(PowerCFD)를 사용하여 수치해석하였다. 수치해석에 사용된 코드는 보존적인 압력기반 유한체적방법에 기초한 비정렬 셀 중심 방법 및 VOF 방법에 체적포착법인 CICSAM을 채용하고 있다. 상세한 액적 거동이 다양한 초기 액적형상, 접촉각 및 표면장력(또는 Bond 수)의 조건하에서 얻어졌다. 또한 액적 이송 메커니즘이 액적 형상에 대한 수치해석 결과로부터 검토되었다.

수용체 접근방법에 의한 잠재적인 돼지 페로몬 성 냄새 물질의 탐색 (Searching of the Potent Pig Pheromonal Odorants by Receptor Based Approach)

  • 주성모;조윤기;박창식;성낙도
    • Reproductive and Developmental Biology
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    • 제34권3호
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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.

$SiO_2-Al_2O_3-B_2O_3-RO-Na_2O$계 유리의 전지저항에 미치는 수식체의 영향 (Effect of Modifiers on the Electrical Resistivity of $SiO_2-Al_2O_3-B_2O_3-RO-Na_2O$ Glasses)

  • 김대기;김철영
    • 한국세라믹학회지
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    • 제33권4호
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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.

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