• Title/Summary/Keyword: H atoms

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Magnetic Hardening of Rapidly Solidified $SmFe_{7+x}M_{x}(M=Mo,\;V,\;Ti)$ Compounds (급속냉각된 $SmFe_{7+x}M_{x}(M=Mo,\;V,\;Ti)$ 화합물에서 생성된 신 강자성상)

  • Choong-Jin Yang;E. B. Park;S. D. Choi
    • Journal of the Korean Magnetics Society
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    • v.4 no.3
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    • pp.226-232
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    • 1994
  • Rapidly solidified $SmFe_{7+x}M_{x}(M=Mo,\;V,\;Ti)$ compound were found to crystallize in the ${Sm(Fe,\;M)}_{7}$ based stable magnetic phase by introducing a second transition element into the Sm-Fe binary system. The ${Sm(Fe,\;M)}_{7}$ phase exhibits the highest Curie temperatuer ($T_{c}=355^{\circ}C$) ever Known in the Sm-Fe magnetic systems with a quite high intrinsic coercivity($_{i}H_{c}=3~6\;kOe $). The ${Sm(Fe,\;M)}_{7}$ phase remains stable even after annealing if once form during the rapid solidification. The primary reason for the high coercive force is due to the fine grain size($2000~8000\;{\AA}$)of the magnetic ${Sm(Fe,\;M)}_{7}$ matrix phase, and the enhanced Curie temperature is attributed to the extended solid-solubility of the additive transition elements in Fe matrix, which leads to volume expansion of the ${Sm(Fe,\;M)}_{7}$ cell causing an enhanced coupling constant of Fe atoms.

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Holographic Quantitative Structure-Activity Relationship (HQSAR) Analyses for the Herbicidal Activities of New Novel 2-(4-chloro-5-(2-chloroallyloxy)-2-fluorophenyl)-3-thioalkoxy-2,3,4,5,6,7-hexahydroisoindol-1-one Derivatives (새로운 2-(4-chloro-5-(2-chloroallyloxy)-2-fluorophenyl)-3-thioalkoxy-2,3,4,5,6,7-hexahydroisoindol-1-one 유도체들의 제초활성에 관한 분자 홀로그램(H) QSAR)

  • Sung, Nack-Do;Song, Jong-Hwan;Kang, Eun-Kyu;Jung, Hoon-Sung
    • The Korean Journal of Pesticide Science
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    • v.9 no.3
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    • pp.199-204
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    • 2005
  • The herbicidal activities against barnyardgrass (Echinochloa crus-galli) by R-groups on the hexahydroisoindol-1-one ring of new 2-(4-chloro-5-(2-chloroallyloxy)-2-fluorophenyl) -3-thioalkoxy-2,3,4,5,6,7-hexahydroisoindol-1-one derivatives were studied using molecular holographic quantitative structure-activity relationships (HQSAR) methodology. Based on the results, the statistical results of the optimised HQSAR model (I-2) exhibited the best predictability and fitness for the herbicidal activities based on the cross-validated value ($r^2_{cv.}$ or $q^2=0.714$) and non-cross-validated value ($r^2_{ncv.}=0.922$), respectively. From the based graphical analyses of atomic contribution maps, herbicidal activities against barnyardgrass were confirmed depends upon the C4-C6 atoms of hexahydroisoindoline-l-one ring, carbon atom of ortho-position and meta-methyl group of 3-tolylthio substituent (8).

DNA Binding Studies and Cytotoxicity of the Novel 1,10-phenanthroline Palladium(II) Complexes of Dithiocarbamate Derivatives (디티오카르바메이트 유도체의 새로운 1,10-페난트롤린 팔라디움(II) 착물의 DNA 결합 성질 및 세포독성에 관한 연구)

  • Mansouri-Torshizi, Hassan;Saeidifar, Maryam;Ghasemi, Zahra Yekke;Khastan, Mahmood;Divsalar, Adeleh;Saboury, Ali Akbar
    • Journal of the Korean Chemical Society
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    • v.55 no.1
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    • pp.70-80
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    • 2011
  • Two new palladium (II) complexes, [Pd (phen)(pip-dtc)]$NO_3$ and [Pd(phen)(mor-dtc)]$NO_3$, (where phen is 1,10-Phenantroline, pip-dtc is piperidinedithiocarbamate anion and mor-dtc is morpholinedithiocarbamate anion) have been synthesized and characterized by elemental analysis, spectroscopic studies (FT-IR, $^1H$ NMR, UV-Vis) and conductance measurement. In these complexes, the dithiocarbamate ligands coordinate with Pd (II) center as bidentate with two sulfur atoms. These two complexes have been tested against chronic myelogenous leukemia cell line, K562. They show $IC_{50}$ values less than cisplatin and thus the mode of binding of the complexes to calf thymus DNA (CT-DNA) were investigated by ultraviolet difference and fluorescence spectroscopy. They can denature DNA, exhibit cooperative binding and intercalate into DNA. Several binding and thermodynamic parameters are also described.

Structural Study of Interface Layers in Tetragonal-HfO2/Si using Density Functional Theory (범 밀도함수론을 이용한 정방정계-HfO2/Si의 계면 층 구조 연구)

  • Kim, D.H.;Seo, H.I.;Kim, Y.C.
    • Journal of the Korean Vacuum Society
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    • v.18 no.1
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    • pp.9-14
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    • 2009
  • We calculated tetragonal-$HfO_2$/Si superstructures using density functional theory. When a and b-axes of cubic-$HfO_2$ were increased to be matched with those of Si for epitaxy contact, c-axis was decreased by 2%. Eight models of interface layers were produced by choosing different terminating layers of tetragonal-$HfO_2$ and Si substrate at the interface. It was found that tetragonal-$HfO_2$ $(004)_{1/4}$/Si $(004)_{3/4}$ superstructure was the most favorable and tetragonal-$HfO_2$ (004)$_{1/4}$/Si (002) superstructure was the most unfavorable. In tetragonal-$HfO_2$ $(004)_{1/4}$/Si (002) superstructure, there were two oxygen vacancies in tetragonal-$HfO_2$ as two oxygen atoms were moved to Si substrate located at the interface.

Selective Oxidation of Single Crystalline AlAs layer on GaAs substrate and XPS(X-ray photoelectron spectroscopy) Analysis (GaAs 기판위에 성장된 단결정 AlAs층의 선택적 산화 및 XPS (X-ray photonelectron spectroscopy) 분석)

  • Lee, Suk-Hun;Lee, Young-Soo;Tae, Heung-Sik;Lee, Young-Hyun;Lee, Jung-Hee
    • Journal of Sensor Science and Technology
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    • v.5 no.5
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    • pp.79-84
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    • 1996
  • A $1\;{\mu}m$ thick n-type GaAs layer with Si doping density of $1{\times}10^{17}/cm^{3}$ and a $500{\AA}$ thick undoped single crystalline AlAs layer were subsequently grown by molecular beam epitaxy on the $n^{+}$ GaAs substrate. The AlAs/GaAs layer was oxidized in $N_{2}$ bubbled $H_{2}O$ vapor($95^{\circ}C$) ambient at $400^{\circ}C$ for 2 and 3 hours. From the result of XPS analysis, small amounts of $As_{2}O_{3}$, AlAs, and elemental As were found in the samples oxidized up to 2 hours. After 3 hours oxidation, however, various oxides related to As were dissolved and As atoms were diffused out toward the oxide surface. The as-grown AlAs/GaAs layer was selectively converted to $Al_{2}O_{3}/GaAs$ at the oxidation temperature $400^{\circ}C$ for 3 hours. The oxidation temperature and time is very critical to stop the oxidation at the AlAs/GaAs interface and to form a defect-free surface layer.

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Molecular Holographic QSAR Model on the Herbicidal Activities of New Novel 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide Derivatives and Prediction of Higher Activity Compounds (새로운 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenyl-propionamide 유도체들의 제초활성에 관한 HQSAR 모델과 높은 활성 화합물의 예측)

  • Sung, Nack-Do;Kim, Dae-Whang;Jung, Hoon-Sung
    • The Korean Journal of Pesticide Science
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    • v.9 no.4
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    • pp.279-286
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    • 2005
  • The herbicidal activities against pre-emergence barnyard grass (Echinochloa crus-galli) by a series of new 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpopionamide derivatives as substrate molecule were studied using molecular holographic (H) quantitative structure activity relationships (HQSAR) methodology. From the based on the findings, the higher herbicidal active compounds are predicted by the derived HQSAR model. The best HQSAR model (VI-1) was derived from fragment distinction combination of atoms/bonds in fragment size, $7{\sim}10$bin. The herbicidal activities from atomic contribution maps showed that the activity will be able to increased according to the R-substituents variation of the N-phenyl ring and change of 6-chloro-2-benzoxazolyloxy group. Based on the results, the statistical results of the best HQSAR model (VI-1) exhibited the best pedictability and fitness for the herbicidal activities based on the cross-validated value ($q^2=0.646$) and non cross-validated value ($r^2_{ncv.}=0.917$), respectively. From the graphical analyses of atomic contribution maps, it was revealed that the lowest herbicidal activitics depends upon the 4-(6-chloro-2-benzoxazolyloxy)phenoxy group ($pred.pI_{50}=-3.20$). Particularly, the R=4-fluoro, X=isobutoxy substituent (P2) of (X)-phenoxy-N-(R)-phenylpropionamide derivative is predicted as the highest active compound ($pred.pI_{50}=9.12$).

Carbon diffusion behavior and mechanical properties of carbon-doped TiZrN coatings by laser carburization (레이저 침탄된 TiZrN 코팅에서 탄소확산거동과 기계적 특성)

  • Yoo, Hyunjo;Kim, Taewoo;Kim, Seonghoon;Jo, Ilguk;Lee, Heesoo
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.31 no.1
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    • pp.32-36
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    • 2021
  • This study was investigated in carbon diffusion behavior of laser-carburized TiZrN coating layer and the changes of mechanical properties. The carbon paste was deposited on TiZrN coatings, and the laser was irradiated to carburize into the coatings. The XRD peak corresponding to the (111) plane shifted to a lower angle after the carburization, showing the lattice expansion by doped carbon. The decreased grain size implied the compression by the grain boundary diffusion of carbon. The XPS spectra for the bonding states of carbon was analyzed that carbon was substitute to nitrogen atoms in TiZrN, as carbide, through the thermal energy of laser. In addition, the combination of sp2 and sp3 hybridized bonds represented the formation of an amorphous carbon. The cross-sectional TEM image and the inverse FFT of the TiZrN coating after carburizing were observed as the wavy shape, confirming the amorphous phase located in grain boundaries. After the carburization, the hardness increased from 34.57 GPa to 38.24 GPa, and the friction coefficient decreased by 83 %. In particular, the ratio of hardness and elastic modulus (H/E) which is used as an index of the elastic recovery, increased from 0.11 to 0.15 and the wear rate improved by 65 %.

Adsorption Properties of the Lysozyme and Albumin with Physicochemical Properties of the Contact Lens (콘택트렌즈의 물리화학적 특성에 따른 라이소자임과 알부민의 흡착 특성)

  • Sung, Yu-Jin;Ryu, Geun-Chang;Jun, Jin
    • Journal of Korean Ophthalmic Optics Society
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    • v.18 no.3
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    • pp.261-270
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    • 2013
  • Purpose: Adsorption properties of lysozyme and albumin according to physiochemical properties of commercial contact lens classified with the FDA categories and a contact lens fabricated in the laboratory were investigated. Methods: The contact lens were prepared using HEMA(2-hydroxyethyl methacrylate) and TRIM(3-(trimethoxysilyl) propyl methacrylate) in a cast mold. Artificial tears containing lysozyme and albumin were prepared. We measured the amounts of protein adsorbed on the each lenses with varying adsorbed time (48 hour) and the pH range (6, 6.8, 7.4, 8.2, 9) of artificial tear. Amount of the proteins absorbed on the contact lenses were measured by using HPLC. Results: Time to reach the equilibrium of protein adsorption for silicone hydrogel lens was taken longer than hydrogel lens. The amount of adsorbed both lysozyme and albumin at equilibrium were greater for the hydrogel lens than the silicone hydrogel lens, and larger for the ionic lens than the non-ionic lens. Lysozyme was more adsorbed on the higher water content of contact lens, whereas albumin was more adsorbed on the lower water content of contact lens. Only lysozyme was adsorbed on the Group IV hydrogel lens of ionic higher water content. The adsorption of protein on contact lens increased with pH of artificial tears as close to the isoelectric point of each protein. Conclusions: The adsorption amount of lysozyme is more affected by the ionic strength of the contact lens surface than the water content of contact lens. Albumin adsorption is more affected by water content than the ionic strength of the contact lens surface. For the adsorption of proteins on the silicone hydrogel lens, the pore size, determined both by the number of Si atoms and the chemical structure of the silicone-containing monomers, as well as the polarity of contact lens should be also considered.

Bond Orbital Theory of Chemical Reactivity (反應性의 結合 Orbital 理論)

  • Yang, Kang;Ree, Tai-Kyue
    • Journal of the Korean Chemical Society
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    • v.8 no.1
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    • pp.20-24
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    • 1964
  • The linear combination of bond orbitals method is used to investigate the reactivity of halomethanes in abstraction reactions by atoms. The activation energy is evaluated on the assumption that, in an activated complex, two electrons in a bond to be broken become completely isolated from the rest of the ${\sigma}$-electron systems. Such a model leads to an intuitively attractive concept that the interactions between the reactive bond and the neighboring bonds govern the reactivity of ${\sigma}$-electron systems. The resulting equation for the activation energy, ${\varepsilon},\;is:\;{\narepsilon}= ${\varepsilon}={\zeta}+$$${\sum}_{i=1}^3$${\eta}c-I,$ c-4 Here, subscript C-4 indicates the bond to be broken, while C-i represents the other three bonds surrounding the reactive bond; ξ is the activation energy of a hypothetical reaction of an isolated C-4 bond and an attacking atom; and ${\eta}$C-i,C-4 stems from the stabilizing interacting of C-4 bond with neighboring C-i bonds. A choie of η′s consistent with bond strength data simplifies the above equation to a form ${\varepsilon}={\zeta}\;+\;N{\eta}c$-H, C-4 where N denotes the number of C-H plus C-F bond in halomethanes. In agreement with this equation, experimental -values increase linearly with increasing N.

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Enhancement of Exchange Coupling Field and Thermal Stability by an Ultra-thin Mn Inserted layer on NiFe/[FeMn/Mn]80/NiFe Multilayers (NiFe/[FeMn/Mn]80/NiFe 다층박막에서 극-초박막 Mn 삽입에 의한 교환결합세기와 열적 안정성 향상)

  • Kim, Bo-Kyung;Lee, Jin-Yong;Ham, Sang-Hee;Lee, Sang-Suk;Hwang, Do-Guwn
    • Journal of the Korean Magnetics Society
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    • v.13 no.2
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    • pp.53-58
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    • 2003
  • Annealing effects of exchange bias fields ($H_{2ex}$(top), $H_{lex}$ (bottom)) on composite type NiFe/[FeMn/Mn]$_{80}$/NiFe multilayers have been studied. Three samples with ultra-thin Mn inserted layers on glass/Ta(50 $\AA$)/NiFe(150 $\AA$)/[F $e_{53}$M $n_{47}$(1.25 $\AA$)/Mn(0 $\AA$, 0.11 $\AA$, 0.3 $\AA$)]$_{80}$/NiFe(90 $\AA$)/Ta(50 $\AA$) were prepared by ion beam sputtering. The average x-ray diffraction peak ratios NiFe(111) of FeMn (111) fcc textures for the Mn inserted total thicknesses of 0 $\AA$, 9 $\AA$, and 24 $\AA$ were about 0.65, 0.90, and 1.5, respectively. For the sample without Mn inserted layer, the $H_{2ex}$ of 260 Oe up to 300 $^{\circ}C$ disappeared at 350 $^{\circ}C$. For two multilayer samples with ultra-thin Mn layers of 0.11 $\AA$ and 0.3 $\AA$, the $H_{2exs}$ of 310 Oe and 180 Oe up to 300 $^{\circ}C$ endured of 215 Oe and 180 Oe at 350 $^{\circ}C$, respectively. The $H_{ex}$ (bottom)s of three samples decreased from 100 Oe to 70 Oe up to 250 $^{\circ}C$, while these values increased beyond 300 $^{\circ}C$. This observation can be attributed to less diffusive path of Mn atoms in bottom NiFe than top NiFe layer. The top and bottom coercive fields slightly varied about 5 Oe∼10 Oe. From these results, we could obtain the enhancement of exchange coupling intensity and thermal stability by an ultra-thin Mn inserted layer on NiFe/[FeMn/Mn]$_{80}$/NiFe Multilayers.