• Title/Summary/Keyword: Bond order

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DEVELOPMENT OF TITANIUM-BASED BRAZING FILLER METALS WITH LOW-MELTING-POING

  • Onzawa, Tadao;Tiyama, Takashi
    • Proceedings of the KWS Conference
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    • 2002.10a
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    • pp.539-544
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    • 2002
  • Titanium and titanium alloy are excellent in corrosion resistance and specific intensity, and also in the biocompatibility. On the other hand, the brazing is bonding method of which productivity and reliability are high, when the complicated and precise structure of the thin plate is constructed. However, though conventional titanium-based brazing filler metal was excellent in bond strength and corrosion resistance, it was disadvantageous that metal structure and mechanical property of the base metal deteriorated, since the brazing temperature (about 1000 C) is considerably high. Authors developed new brazing filler metal which added Zr to Ti-Cu (-Ni) alloy which can be brazed at 900 C or less about 15 years ago. In this paper, the development of more low-melting-point brazing filler metal was tried by the addition of the fourth elements such as Ni, Co, Cr for the Ti-Zr-Cu alloy. As a method for finding the low-melting-point composition, eutectic composition exploration method was used in order to reduce the experiment point. As the result, several kinds of new brazing filler metal such as 37.5Ti-37.5-Zr-25Cu alloy (melting point 825 C) and 30Ti-43Zr-25Cu-2Cr alloy (melting point: 825 C) was developed. Then, the brazing joint showed the characteristics which were almost equal to the base metal from the result of obtaining metallic structure and strength of joint of brazing joint. However, the brazing filler metal composition of the melting point of 820 C or less could not be found. Consequentially, it was clarified that the brazing filler metal developed in this study could be practically sufficiently used from results such as metal structure of brazing joint and tensile test of the joint.

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On the Rotational Barrier of Organic Molecules (I). Role of Axial Carbon in Ethane (유기분자의 내부 회전장벽에 관한 이론적 연구 (제1보). 에탄에서의 중심 탄소의 역할)

  • Young Sik Kim;Hojing Kim
    • Journal of the Korean Chemical Society
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    • v.26 no.3
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    • pp.117-127
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    • 1982
  • In order to analyze the role of axial carbon atoms in rotational barrier of ethane, we take the carbonless ethane, as a model, which is made of six hydrogens in coordinates of ethane. The energy of the system is calculated by McWeeny's open-shell restricted Hartree-Foch selfconsistent-field (RHF-SCF) method, and the transition density on the staggered-to-eclipsed rotation is examined. As being expected, the eclipsed form of the model is more stable than the staggered one. Through the transition density comparison of this model and real ethane, it is found that the existence of the axial carbon atoms induces the electronic density to be diluted in the vicinity of protonic sites and to be attracted to the region of carbon atoms or further to C-C bond region as the barrier is traversed. This migration of electronic charge tell us that the barrier to the internal rotation of ethane originates from the fact that the magnitude of electronic energy depression is not large enough to offset the increased nuclear-nuclear repulsion on the staggered-to-eclipsed rotation.

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Substituents Effect on Aziridine Chemistry: N-Inversion Energy, Reactivity and Regioselectivity of Nucleophilic Ring-opening

  • Park, Gyoo-Soon;Kim, Seok-Chan;Kang, Han-Young
    • Bulletin of the Korean Chemical Society
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    • v.26 no.9
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    • pp.1339-1343
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    • 2005
  • The N-inversion energies and nucleophilic ring-opening reactions of N-substituted aziridine compounds are investigated using B3LYP/6-31+$G^*$ methods, where substituents (R) on the nitrogen atom has been H (1), Me (2), Ph (3), Bn (4), CHMePh (5), $CO_2Me$ (6), COPh (7) and $SO_2Ph$ (8). The N-inversion energy with X group are decreased as the following order: R = CHMePh (17.06 kcal/mol) $\gt$ Me (16.97) $\gt$ Bn (16.70) $\gt$ H (16.64) $\gt$ $SO_2Ph$ (12.18) $\gt$ Ph (8.91) $\gt$ COPh (5.75) $\gt$ $CO_2Me$ (5.48). For reactivity of the ring opening toward cyanide ion, the aziridine 6 (R=$CO_2Me$) is shown to be the most reactive one. During the ring opening of aziridine 6 by CN$^{\ominus}$, the torsional OCNC angle becomes near to $180^{\circ}$, where the geometry allows for the effective incorporation of electrons of the nitrogen atom to the C=O bond. It would be a possible driving force for nucleophilic ring opening reaction as well as decreasing the N-inversion energy barrier. Regarding to the regioselectivity, the orientation of nucleophile in ring opening reaction appears to be different in the case of 9 and 10. The results are discussed in terms of steric/electronic effect of the $C_2$-substituents.

Flavonoid Inhibitors of β-Ketoacyl Acyl Carrier Protein Synthase III against Methicillin-Resistant Staphylococcus aureus

  • Lee, Jee-Young;Lee, Ju-Ho;Jeong, Ki-Woong;Lee, Eun-Jung;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • v.32 no.8
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    • pp.2695-2699
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    • 2011
  • ${\beta}$ Ketoacyl acyl carrier protein synthase III (KAS III) initiates fatty acid synthesis in bacteria and is a key target enzyme to overcome the antibiotic resistance problem. In our previous study, we found flavonoid inhibitors of Enterococcus faecalis KAS III and proposed three potent antimicrobial flavonoids against Enterococcus faecalis and Vancomycin-resistant Enterococcus faecalis with MIC values in the range of 128-512 ${\mu}g/mL$ as well as high binding affinities on the order from $10^6$ to $10^7\;M^{-1}$. Using these series of flavonoids, we conducted biological assays as well as docking study to find potent flavonoids inhibitors of Staphylococcus aureus KAS III with specificities against Staphylococcus aureus and Methicillin-resistant Staphylococcus aureus. Here, we propose that naringenin (5,7,4'-trihydroxyflavanone) and eriodictyol (5,7,3',4'-tetrahydroxyflavanone) are potent antimicrobial inhibitors of Staphylococcus aureus KAS III with binding affinity of $3.35{\times}10^5$ and $2.01{\times}10^5\;M^{-1}$, respectively. Since Arg38 in efKAS III is replaced with Met36 in saKAS III, this key difference caused one hydrogen bond missing in saKAS III compared with efKAS III, resulting in slight discrepancy in their binding interactions as well as decrease in binding affinities. 4'-OH and 7-OH of these flavonoids participated in hydrogen bonding interactions with backbone carbonyl of Phe298 and Ser152, respectively. In particular, these flavonoids display potent antimicrobial activities against various MRSA strains in the range of 64 to 128 ${\mu}M$ with good binding affinities.

O2 Production from CO2 by using Chemical Lung Containing Potassium Superoxide (초산화칼륨이 포함된 화학 폐를 이용한 이산화탄소의 산소로의 전환 반응)

  • Kim, Jinho;Jurng, Tae-Hoon;Park, YoonKook;Jeong, Soon Kwan
    • Korean Chemical Engineering Research
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    • v.47 no.4
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    • pp.436-440
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    • 2009
  • This study demonstrates the use of a chemical lung containing potassium superoxide to convert carbon dioxide in air to oxygen. In order to reduce its extremely high reactivity, potassium superoxide was first mixed with calcium hydroxide and then combined at various ratios with polysiloxane. Silicone polymer used here served as both a water repellent and the polymer matrix. In general, the amount of carbon dioxide captured as well as that of oxygen produced increased as the proportion of potassium superoxide in the chemical lung increased. FT-IR spectroscopy revealed that the Si-O bond in chemical lung appeared at $1,050cm^{-1}$ and absorbance of chemical lung containing higher amounts of silicone was higher than that of chemical lung containing lower amounts. These results indicate that such a chemical lung may also be a useful sorbent for other acid gases, such as sulfur oxides and nitrogen oxides.

Design of the Green Wall System considering Distribution Effect of Earth Pressure by Soil Nail (네일의 토압분담 효과를 고려한 Green Wall 시스템의 설계)

  • Park, Si-Sam;Cho, Sung-Han;Yoo, Chan-Ho;Kim, Hong-Taek;Kim, Yong-Yeon
    • Proceedings of the Korean Geotechical Society Conference
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    • 2006.03a
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    • pp.1038-1045
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    • 2006
  • The Green Wall is highest eco-system among a segmental retaining wall systems. Recently, the demand of high segmental retaining wall (SRW) is increased in domestic. The soil nailing system is applied in order to maintain the high SRW stability for steeper slope. However, the proper design approach that can consider the earth pressure reduction effects in soil nailing system has not been proposed. This study was performed to introduce the design case by 'Two-Body Translation mechanism' to be able to consider distribution of earth pressure in the soil nailing when designing the green wall using soil nailing system. Also, this study attempts to evaluate the earth pressure change when advanced soil nailing system is constructed using $FLAC^{2D}$ ver. 3.30 program and 'Two-Body Translation mechanism'. Also in this study, various parametric studies using numerical methods as shear strength reduction (SSR) technique and limit equilibrium technique were carried out. In the parametric study, the length ratio and the bond ratio of the soil nailing were changed to identify the earth pressure reduction effect of the retaining wall reinforced by soil nailing.

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States, Behaviors and Cues of Infants (영아의 상태, 행동, 암시)

  • Kim, Tae-Im
    • Korean Parent-Child Health Journal
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    • v.1
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    • pp.56-74
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    • 1998
  • The language of the newborn, like that of adults, is one of gesture, posture, and expression(Lewis, 1980). Helping parents understand and respond to their newborn's cues will make caring for their baby more enjoyable and may well provide the foundation for a communicative bond that will last lifetime. Infant state provides a dynamic pattern reflecting the full behavioral repertoire of the healthy infant(Brazelton, 1973, 1984). States are organized in a predictable emporal sequence and provide a basic classification of conditions that occur over and over again(Wolff, 1987). They are recognized by characteristic behavioral patterns, physiological changes, and infants' level of responsiveness. Most inportantly, however, states provide caregivers a framework for observing and understanding infants' behavior. When parents know how to determine whether their infant is sleep, awake, or drowsy, and they know the implications, recognition of states has for both the infant's behavior and for their caregiving, then a lot of hings about taking care of a newborn become much easier and more rewarding. Most parents have the skills and desire to do what is best for their infant. The skills 7373parents bring to the interaction are: the ability to read their infant's cues: to stimulate the baby through touch, movement, talking, and looking at: and to respond in a contingent manner to the infant's signals. Among the crucial skills infants bring to the interaction are perceptual abilities: hearing and seeing, the capacity to look at another for a period of time, the ability to smile, be consoled, adapt their body to holding or movement, and be regular and predictable in responding. Research demonstrates that the absence of these skills by either partner adversely affects parent-infant interaction and later development. Observing early parent-infant interactions during the hospital stay is important in order to identify parent-infant pairs in need of continued monitoring(Barnard, et al., 1989).

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Nucleophilic Displacement at Sulfur Center (I). Halogen Exchange in Benzenesulfonyl Chlorides (유황의 친핵치환반응 (제1보) 염화 벤젠슬포닐의 할로겐 교환반응)

  • Jae Eui Lee;Ik Choon Lee
    • Journal of the Korean Chemical Society
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    • v.17 no.3
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    • pp.154-162
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    • 1973
  • The rates and activation parameters for the halide $(Cl^{-}, Br^{-}, I^{-})$TeX> exchange reactions of substituted benzenesulfonyl-chloride, $XC_6H_4SO_2Cl$(X:p-MeO, H, p-Cl, p-Br, p-NO$_2l$) in dry acetone at two temperatures have been determined. It was found that the ion-pair of metal halide,$M^{+}X^{-}$, have negligible reactivity compared to free halide ions. It was also found that the nucleophilic order is $Cl^{-}>Br^{-}>I^{-}$for electron-donating substituent, and $Cl^{-}>I^{-}>Br^{-}$ for electron-withdrawing substituents. These results and convex nature of the Hammett plot are interpreted in the light of simple $S_N2$mechanism with the bond breaking becoming important for compounds with the electron withdra-wing substituents.

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Liquid Phase Hydrogenation of Croton Aldehyde with Nickel Catalysts (니켈촉매에 의한 크로톤 알데히드의 액상 수소첨가반응)

  • Lee, Hak Sung;Park, Young Hae;Kim, Yong Sup
    • Applied Chemistry for Engineering
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    • v.5 no.3
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    • pp.509-516
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    • 1994
  • Liquid phase hydrogenation come into use for the removal process of unsaturated hydrocarbon such as croton aldehyde. The croton aldehyde is generated in a very small amount as by-product in the ethanol production, and it is converted into n-butanol through hydrogenation. Liquid phase hydrogenation is low energy consumption process as compared with gas phase hydrogenation. The nickel catalyst is selected with respect to the economic aspect such as durability and cost. The analysis of the conversion were performed by method of the PMT(permangante time) test. The PMT was sharply decreased as the initial concentrations of croton aldehyde in the ethanol solution were increased. The hydrogenation of croton aldehyde to n-butanol was carried out in sequence after the saturation of the carbon-carbon double bond. The formation of both butyraldehyde and n-butanol followed zero order kinetics. Within expermental conditions the PMT gets longer as reaction temperature goes higer and as LHSV becomes slower, while the reaction pressure has almost no relation with PMT.

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Evaluation of Asphalt Emulsions Curing and Adhesive Behavior used in Asphalt Pavement Preservation (Surface Treatments) (아스팔트 도로포장 유지보수(표면처리)용 유화아스팔트의 양생 및 점착거동특성 평가)

  • Im, Jeong Hyuk;Kim, Y. Richard
    • International Journal of Highway Engineering
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    • v.16 no.6
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    • pp.39-50
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    • 2014
  • PURPOSES : The objective of this study is to evaluate the curing and adhesive behavior of asphalt emulsions including polymer-modified emulsions for chip seals and fog seals. METHODS : For the laboratory testing, the evaporation test, the bitumen bond strength (BBS) test, and the Vialit test are used. Also, the rolling ball test and the damping test are employed to evaluate the curing properties of the fog seal emulsions. In order to conduct all the tests in controled condition, all test procedures are performed in the environmental chamber. The CRS-2L and the SBS CRS-2P emulsions are used as a polymer-modified emulsion, and then unmodified emulsion, the CRS-2, is compared for the evaluation of chip seal performance. For the fog seal performance evaluation, two types of polymer-modified emulsions (FPME-1 and FPME-2) and one of unmodified emulsion, the CSS-1H, are employed. All the tests are performed at different curing times and temperatures. RESULTS AND CONCLUSIONS : Overall, PMEs show better curing and adhesive behavior than non-PMEs regardless of treatments types. Especially, the curing and adhesive behavior of PMEs is much better than non-PMEs before 120 minutes of curing time. Since all the test results indicate that after 120 minutes of curing time the curing adhesive behavior of emulsions, the early curing time, i.e., 120 minutes, plays an important role in the performance of chip seals and fog seals.