• Title/Summary/Keyword: H-bond

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Novel Activation by Electrochemical Potentiostatic Method

  • Lee, Hak-Hyeong;Lee, Jun-Gi;Jeong, Dong-Ryeol;Gwon, Gwang-U;Kim, Ik-Hyeon
    • Proceedings of the Materials Research Society of Korea Conference
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    • 2009.05a
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    • pp.29.1-29.1
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    • 2009
  • Fabrication of good quality P-type GaN remained as a challenge for many years which hindered the III-V nitrides from yielding visible light emitting devices. Firstly Amano et al succeeded in obtaining P-type GaN films using Mg doping and post Low Energy Electron Beam Irradiation (LEEBI) treatment. However only few region of the P-GaN was activated by LEEBI treatment. Later Nakamura et al succeeded in producing good quality P-GaN by thermal annealing method in which the as deposited P-GaN samples were annealed in N2 ambient at temperatures above $600^{\circ}C$. The carrier concentration of N type and P-type GaN differs by one order which have a major effect in AlGaN based deep UV-LED fabrication. So increasing the P-type GaN concentration becomes necessary. In this study we have proposed a novel method of activating P-type GaN by electrochemical potentiostatic method. Hydrogen bond in the Mg-H complexes of the P-type GaN is removed by electrochemical reaction using KOH solution as an electrolyte solution. Full structure LED sample grown by MOCVD serves as anode and platinum electrode serves as cathode. Experiments are performed by varying KOH concentration, process time and applied voltage. Secondary Ion Mass Spectroscopy (SIMS) analysis is performed to determine the hydrogen concentration in the P-GaN sample activated by annealing and electrochemical method. Results suggest that the hydrogen concentration is lesser in P-GaN sample activated by electrochemical method than conventional annealing method. The output power of the LED is also enhanced for full structure samples with electrochemical activated P-GaN. Thus we propose an efficient method for P-GaN activation by electrochemical reaction. 30% improvement in light output is obtained by electrochemical activation method.

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A study on the prediction of the mechanical properties of Zinc alloys using DV-Xα Molecular Orbital Method (DV-Xα분자궤도법을 이용한 Zn alloy의 기계적 성질 예측)

  • Na, H.S.;Kong, J.P.;Kim, Y.S.;Kang, C.Y.
    • Korean Journal of Materials Research
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    • v.17 no.5
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    • pp.250-255
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    • 2007
  • The alloying effects on the electronic structures of Zinc are investigated using the relativistic $DV-X{\alpha}molecular$ orbital method in order to obtain useful information for alloy design. A new parameter which is the d obital energy level(Md) and the bonder order(Bo) of alloying elements in Zinc was introduced and used for prediction of the mechanical properties. The Md correlated with the atomic radius and the electronegativity of elements. The Bo is a measure of the strength of the covalent bond between M and X atoms. First-principles calculations of electronic structures were performed with a series of models composed of a MZn18 cluster and the electronic states were calculated by the discrete variational- $X{\alpha}method$ by using the program code SCAT. The central Zinc atom(M) in the cluster was replaced by various alloying elements. In this study energy level structures of pure Zinc and alloyed Zinc were calculated. From calculated results of energy level structures in MZn18 cluster, We found Md and Bo values for various elements of Zn. In this work, Md and Bo values correlated to the tensile strength for the Zn. These results will give some guide to design of zinc based alloys for high temperature applications and it is possible the excellent alloys design.

Study on the Change of Physical Characteristics by Polarity and Additives of SiC DPF Binder for Diesel Engine Application (디젤엔진에 적용하기 위한 SiC DPF용 접합제의 극성 및 첨가물에 따른 물리적 특성 변화에 관한 연구)

  • Kim, Jinwon;Ryu, Younghyun
    • Journal of the Korean Society of Marine Environment & Safety
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    • v.25 no.7
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    • pp.974-981
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    • 2019
  • Fine dust has become a significant social problem. Diesel engines are used as the main propulsion power source in ships. This study introduces a diesel particulate filter (DPF) that is used as an exhaust after-treatment system for diesel engines to reduce particulate matter known as diesel fine dust. Two materials are used for the DPF: Cordierite and silicon carbide (SiC). In this study, to improve the physical properties of the binder used in the SiC DPF, cordialite was used instead of the SiC-based materials used as the conventional binder to evaluate the thermal durability against high-temperature deformation through the change of the coefficient of thermal expansion. In addition, the physical properties of the silica sol, as a main component of the base coating solution for determining the bond between the binder and the segment, were confirmed. Based on this, the change effect of the binder physical properties was confirmed through experiments by either adding a silane coupling agent or SiC to increase the reactivity of the silica sol.

Eelctrical and Structural Properties of $CaF_2$Films ($CaF_2$ 박막의 전기적, 구조적 특성)

  • 김도영;최석원;이준신
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.11 no.12
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    • pp.1122-1127
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    • 1998
  • Group II-AF_2$films such as $CaF_2$, $SrF_2$, and $BaF_2$ have been commonly used many practical applications such as silicon on insulatro(SOI), three-dimensional integrated circuits, buffer layers, and gate dielectrics in filed effect transistor. This paper presents electrical and structural properties of fluoride films as a gate dielectric layer. Conventional gate dielectric materials of TFTs like oxide group exhibited problems on high interface trap charge density($D_it$), and interface state incorporation with O-H bond created by mobile hydrogen and oxygen atoms. To overcome such problems in conventional gate insulators, we have investigated $CaF_2$ films on Si substrates. Fluoride films were deposited using a high vacuum evaporation method on the Si and glass substrate. $CaF_2$ films were preferentially grown in (200) plane direction at room temperature. We were able to achieve a minimum lattice mismatch of 0.74% between Si and $CaF_2$ films. Average roughness of $CaF_2$ films was decreased from 54.1 ${\AA}$ to 8.40 ${\AA}$ as temperature increased form RT and $300^{\circ}C$. Well fabricated MIM device showed breakdown electric field of 1.27 MV/cm and low leakage current of $10^{-10}$ A/$cm^2$. Interface trap charge density between $CaF_2$ film and Si substrate was as low as $1.8{\times}10^{11}cm^{-2}eV^{-1}$.

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CoMFA and CoMSIA Analysis on the Selective Fungicidal Activity of N-phenyl-D-phenylthionocarbamate Analogues against Resistant and Sensitive Gray Mold (Botrytis cinerea) (저항성 및 감수성 잿빛곰팡이병균(Botrytis cinerea)에 대한 N-Phenyl-O-phenylthionocarbamate 유도체들의 선택적인 살균활성에 관한 CoMFA 및 CoMSIA 분석)

  • Soung, Min-Gyu;Sung, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.11 no.3
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    • pp.138-143
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    • 2007
  • The relationships between three dimensional quantitative structure and activity relationships (3D-QSARs) for the selective fungicidal function between N-phenyl substituents of N-phenyl-O-phenyl-thionocarbamate derivatives analogues and their the fungicidal activities against resistant (RBC) and sensitive (SBC) gray mold (Botrytis cinerea) were studied quantitatively using CoMFA and CoMSIA methods. The statistical values of optimized CoMSIA (M7) model were better ($r^2$ & $q^2=CoMSIA{\gg}CoMFA$) than that of CoMFA (M5) model. And the factor influencing of the selective between the fungicidal activity against RBC and SBC was dependent on electrostatic field of CoMFA (M5) model. Therefore, it is predicted that, from the CoMSIA contour maps of CoMSIA (M7) model, the selectivity will be improved by the H-bond donor that is with negatively charged favored group at meta-position on the N-phenyl ring.

$^{15}$N NMR Relaxation Study of the Catalytic Residues in Y14F Mutant Ketosteroid Isomerase

  • Yoon, Ye-Jeong;Lee, Hyeong-Ju;Kim, Chul;Lee, Hee-Cheon
    • Journal of the Korean Magnetic Resonance Society
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    • v.8 no.2
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    • pp.77-85
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    • 2004
  • $^1$H-detected $^{15}$N NMR was employed to investigated the effect of mutation (Y14F) on the dynamic properties of catalytic residues in ${\Delta}^5$-3- ketosteroid isomerase (KSI) from Conamonas testosteroni. In particular, the backbone dynamics of the catalytic residues have been studied in free enzyme and its complex with a steroid ligand, 19-nortestosterone hemisuccinate, by $^{15}$N relaxation measurements. The relaxation data were analyzed using the model-free formalism to extract the model-free parameters (S$^2$, ${\tau}_e$, and R$_{ex}$). The results show that the mutation causes a significant decrease in the order parameter (S$^2$) for the catalytic residues of free Y14F KSI, presumably due to breakdown of the hydrogen bond network by mutation. In addition, the order parameters of Phe-14 and Asp-99 increased slightly upon ligand binding, indicating a slight restriction of the high-frequency (pico- to nanosecond) internal motions of the residues in the complexed Y14F KSI, while the order parameter of Tyr-55 decreased significantly upon ligand binding.

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Reaction of Bis(diethylamino)aluminum Hydride in Tetrahydrofuran with Selected Organic Compounds Containing Representative Functional Groups

  • Jin Soon Cha;Oh Oun Kwon;Jong Mi Kim
    • Bulletin of the Korean Chemical Society
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    • v.15 no.2
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    • pp.132-138
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    • 1994
  • Bis(diethylamino)aluminum hydride was utilized in a systematic study of the approximate rates and stoichiometry of the reaction of excess reagent with 55 selected organic compounds containing representative functional groups under standardized conditions (THF, $0^{\circ}C$, reagent to compound=4 : 1) in order to define the characteristics of the reagent for selective reductions. The reducing action of BEAH was also compared with that of the parent aluminum hydride. The reducing action of the reagent is quite similar to that of aluminum hydride, but the reducing power is much weaker. Aldehydes and ketones were readily reduced in 1-3 h to the corresponding alcohols. However, unexpectedly, a ready involvement of the double bond in cinnamaldehyde was realized to afford hydrocinnamyl alcohol. The introduction of diethylamino group to the parent aluminum hydride appears not to be appreciably influential in stereoselectivity on the reduction of cyclic ketones. Both p-benzoquinone and anthraquinone utilized 2 equiv of hydride readily without evolution of hydrogen, proceeded cleanly to the 1,4-reduction products. Carboxylic acids and acid chlorides underwent reduction to alcohols slowly, whereas cyclic anhydrides utilized only 2 equiv of hydride slowly to the corresponding hydroxylacids. Especially, benzoic acid with a limiting amount of hydride was reduced to benzaldehyde in a yield of 80%. Esters and lactones were also readily reduced to alcohols. Epoxides examined all reacted slowly to give the ring-opened products. Primary and tertiary amides utilized 1 equiv of hydride fast and further hydride utilization was quite slow. The examination for possibility of achieving a partial reduction to aldehydes was also performed. Among them, benzamide and N,N-dimethylbenzamide gave ca, 90% yields of benzaldehyde. Both the nitriles examined were also slowly reduced to the amines. Unexpectedly, both aliphatic and aromatic nitro compounds proved to be relatively reactive to the reagent. On the other hand, azo- and azoxybenzenes were quite inert to BEAH. Cyclohexanone oxime liberated 1 equiv of hydrogen and utilized 1 equiv of hydride for reduction, corresponding to N-hydroxycyclohexylamine. Pyridine ring compounds were also slowly attacked. Disulfides were readily reduced with hydrogen evolution to the thiols, and dimethyl sulfoxide and diphenyl sulfone were also rapidly reduced to the sulfides.

The Crystal Structure of a Sulfur Sorption Complex of the Dehydrated Partially $Co^{2+}$-Exchanged Zeolite A

  • 염영훈;송성환;김양
    • Bulletin of the Korean Chemical Society
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    • v.16 no.9
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    • pp.823-826
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    • 1995
  • The crystal structure of a sulfur sorption complex of the dehydrated partially Co2+ exchanged zeolite A (a=12.058(2) Å) has been determined by single-crystal X-ray techniques. The crystal structure was solved and refined in cubic space group Pm3m at 21(1) ℃. Ion Exchange with aqueous 0.05 M Co(NO3)2 was done by the static method. The crystal of Na4Co4-A was dehydrated at 380 ℃ and 2 × 10-6 Torr for 2 days, followed by exposure to about 100 Torr of sulfur at 330 ℃ for 72 h. Full matrix least-squares refinement converged to R1=0.084 and Rw=0.074 with 102 reflections for which I > 3σ(I). Crystallographic analysis shows that 2.8 Co2+ ions and 4 Na+ ions per unit cell occupy 6-ring sites on the threefold axes. 1.2 Co2+ ions occupy the 8-ring sites on fourfold axes. 2.8 Co2+ ions at Co(1) are recessed 0.66 Å into the large cavity and 4 Na+ ion at Na(1) are recessed 0.77 Å into the sodalite cavity from the (111) plane of O(3)'s. Approximately 16 sulfur atoms were sorbed per unit cell. Two S8 rings, each in a butterfly form, are found in the large cavity. The bond length between S and its adjacent S is 2.27(3) Å. The distance between 6-ring Co2+ ion and its adjacent sulfur is 2.53 (2) Å and that between 8-ring Co2+ ions and its adjacent sulfur is 2.72(9) Å. The angles of S-S'-S and S'-S-S'/ in octasulfur rings are 119.0(2)°and 113.0(2)°, respectively.

Intramolecular Disulfide Bonds for Biogenesis of Calcium Homeostasis Modulator 1 Ion Channel Are Dispensable for Voltage-Dependent Activation

  • Kwon, Jae Won;Jeon, Young Keul;Kim, Jinsung;Kim, Sang Jeong;Kim, Sung Joon
    • Molecules and Cells
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    • v.44 no.10
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    • pp.758-769
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    • 2021
  • Calcium homeostasis modulator 1 (CALHM1) is a membrane protein with four transmembrane helices that form an octameric ion channel with voltage-dependent activation. There are four conserved cysteine (Cys) residues in the extracellular domain that form two intramolecular disulfide bonds. We investigated the roles of C42-C127 and C44-C161 in human CALHM1 channel biogenesis and the ionic current (ICALHM1). Replacing Cys with Ser or Ala abolished the membrane trafficking as well as ICALHM1. Immunoblotting analysis revealed dithiothreitol-sensitive multimeric CALHM1, which was markedly reduced in C44S and C161S, but preserved in C42S and C127S. The mixed expression of C42S and wild-type did not show a dominant-negative effect. While the heteromeric assembly of CALHM1 and CALHM3 formed active ion channels, the co-expression of C42S and CALHM3 did not produce functional channels. Despite the critical structural role of the extracellular cysteine residues, a treatment with the membrane-impermeable reducing agent tris(2-carboxyethyl) phosphine (TCEP, 2 mM) did not affect ICALHM1 for up to 30 min. Interestingly, incubation with TCEP (2 mM) for 2-6 h reduced both ICALHM1 and the surface expression of CALHM1 in a time-dependent manner. We propose that the intramolecular disulfide bonds are essential for folding, oligomerization, trafficking and maintenance of CALHM1 in the plasma membrane, but dispensable for the voltage-dependent activation once expressed on the plasma membrane.

Effect of a Coil Shape on an Impulse Velocity of the Electromagnetic Welding (전자기 용접의 충돌 속도에 대한 코일 형상의 영향)

  • Park, H.;Lee, K.;Lee, J.;Lee, Y.;Kim, D.
    • Transactions of Materials Processing
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    • v.28 no.3
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    • pp.135-144
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    • 2019
  • Electromagnetic impulse welding (EMIW) is a type of solid state welding using the Lorentz force generated by interaction between the magnetic field of the coil and the current induced in the workpiece. Although many experimental studies have been investigated on the expansion and compression welding of tube using the EMIW process, studies on the EMIW process of lap joint between flat sheets are uncommon. Since the magnetic field enveloped inside the tube can be controlled with ease, the electromagnetic technique has been widely used for tube welding. Conversely, it is difficult to control the magnetic field in the flat sheet welding so as to obtain the required welding velocity. The current study analyzed the effects of coil shape on the impulse velocity for suitable flat one-turn coil for the EMIW of the flat sheets. The finite element (FE) multi-physics simulation involving magnetic and structural field of EMIW were conducted with the commercial software LS-DYNA to evaluate the several shape variables, viz., influence of various widths, thicknesses, gaps and standoff distances of the flat one-turn coil on the impulse velocity. To obtain maximum impulse velocity, the flat one-turn coil was designed based on the FE simulation results. The experiments were performed using an aluminum alloy 1050 sheets of 1.0mm thickness using the designed flat one-turn coil. Through the microscopic interfacial analysis of the welded specimens, the interfacial connectivity was observed to have no defects. In addition, the single lap joint tests were performed to evaluate the welding strength, and a fracture occurred in the base material. As a result, a flat one-turn coil was successfully designed to guarantee welding with bond strength equal to or greater than the base material strength.