• Title/Summary/Keyword: Planar Symmetry

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Potential Energy Surfaces for Ligand Exchange Reactions of Square Planar Diamagnetic PtY2L2 Complexes:Hydrogen Bond (PtY2L2···L') versus Apical (Y2L2Pt···L') Interaction

  • Park, Jong-Keun;Kim, Bong-Gon
    • Bulletin of the Korean Chemical Society
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    • v.27 no.9
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    • pp.1405-1417
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    • 2006
  • The geometrical structures, potential energy surfaces, and energetics for the ligand exchange reactions of tetracoordinated platinum $(PtY_2L_2\;:\;Y,\;L=Cl^-,\;OH^-,\;OH_2,\;NH_3)$ complexes in the ligand-solvent interaction systems were investigated using the ab initio Hartree-Fock (HF) and Density Functional Theory (DFT) methods. The potential energy surfaces for the ligand exchange reactions used for the conversions of $(PtCl_4\;+\;H_2O)^{^\ast_\ast}\;to\;[PtCl_3(H_2O)\;+\;Cl^-]$ and $[Pt(NH_3)_2Cl_2\;+\;H_2O]$$[Pt(NH_3)_2Cl_2\;+\;H_2O]$ to $[Pt(NH_3)_2Cl(H_2O)\;+\;Cl^-] $ were investigated in detail. For these two exchange reactions, the transition states $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime])^{^\ast_\ast} $ correspond to complexes such as $(PtCl_4{\cdot}{\cdot}{\cdot}H_2O)^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$, respectively. In the transition state, $([PtCl_4{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]]^{^\ast_\ast})$ have a kind of 6-membered $(Pt-Cl{\cdot}{\cdot}{\cdot}HOH{\cdot}{\cdot}{\cdot}Cl)$ and $(Pt-OH{\cdot}{\cdot}{\cdot}Cl{\cdot}{\cdot}{\cdot}HN)$ interactions, respectively, wherein a central Pt(II) metal directly combines with a leaving $Cl^-$ and an entering $H_2O$. Simultaneously, the entering $H_2O$ interacts with a leaving $Cl^-$. No vertical one metal-ligand interactions $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime]) $ are found at the axial positions of the square planar $(PtY_2L_2)$ complexes, which were formed via a vertically associative mechanism leading to $D_{3h}$ or $C_{2v}$-transition state symmetry. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes are also examined quantitatively. Schematic diagrams for the dissociation reactions of {PtCl4(H2O)n(n=2,4)} into {$PtCl_3(H_2O)_{(n-2)}\;+\;Cl^-(H_2O)_2$} and the binding energies {$PtCl_4(H_2O)_n$(n = 1-5)} of $PtCl_4$ with water molecules are drawn.

Synthesis, Characterization and ESR Studies of New Copper(II) Complexes of Vicinal Oxime Ligands (Vicinal Oxime 리간드의 새로운 구리(II) 착물에 대한 합성, 특성 및 ESR 연구)

  • El-Tabl, Abdou S.;Shakdofa, Mohamad M.E.;El-Seidy, Ahmed M.A.
    • Journal of the Korean Chemical Society
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    • v.55 no.4
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    • pp.603-611
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    • 2011
  • Ethoxylacetyl oxime ligands [HL, (1) and $H_2L^1$, (3)] react with copper(II) acetate monohydrate yield octahedral and square planar complexes, respectively. The complexes have been postulated due to elemental analyses, IR, UVVis. spectra, magnetic susceptibility, conductivity and ESR spectra. Molar conductance of the complexes in DMF indicates a non-ionic character. The ESR spectra of [$(L)_2Cu(H_2O)_2$], (2) complex at room temperature and 77K are characteristic of an axial symmetry ($d_{x2-y2}$) with covalent bond character and have a large line width typical of dipolar interactions. However, [$(L^1)Cu$], (4) complex in the solid state showed spectra of marked broadening and loss of hyperfine splitting confirming spinexchange interactions between the copper(II) sites. The spectrum of the doped copper(II) complex at room temperature showed super-hyperfine splitting from coordinated nitrogen atoms and it has an axial type ($d_{x2-y2}$) with covalent bond character and an essentially square-planar arrangement around the copper(II) ion. The spectrum of [$(L^1)Cu$], (4) in frozen methanol at 77K was characteristic of the triplet state of a dimer species and the distance found between the two copper(II) centers was calculated and is equal to 4.8 ${\AA}$.

${T_2}weighted$- Half courier Echo Planar Imaging

  • 김치영;김휴정;안창범
    • Investigative Magnetic Resonance Imaging
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    • v.5 no.1
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    • pp.57-65
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    • 2001
  • Purpose : $T_2$-weighted half courier Echo Planar Imaging (T2HEPI) method is proposed to reduce measurement time of existing EPI by a factor of 2. In addition, high $T_2$ contrast is obtained for clinical applications. High resolution single-shot EPI images with $T_2$ contrast are obtained with $128{\times}128$ matrix size by the proposed method. Materials and methods : In order to reduce measurement time in EPI, half courier space is measured, and rest of half courier data is obtained by conjugate symmetric filling. Thus high resolution single shot EPI image with $128{\times}128$ matrix size is obtained with 64 echoes. By the arrangement of phase encoding gradients, high $T_2$ weighted images are obtained. The acquired data in k-space are shifted if there exists residual gradient field due to eddy current along phase encoding gradient, which results in a serious problem in the reconstructed image. The residual field is estimated by the correlation coefficient between the echo signal for dc and the corresponding reference data acquired during the pre-scan. Once the residual gradient field is properly estimated, it can be removed by the adjustment of initial phase encoding gradient field between $70^{\circ}$ and $180^{\circ}$ rf pulses. Results : The suggested T2EPl is implemented in a 1.0 Tela whole body MRI system. Experiments are done with the effective echo times of 72ms and 96ms with single shot acquisitions. High resolution($128{\times}128$) volunteer head images with high $T_2$ contrast are obtained in a single scan by the proposed method. Conclusion : Using the half courier technique, higher resolution EPI images are obtained with matrix size of $128{\times}128$ in a single scan. Furthermore $T_2$ contrast is controlled by the effective echo time. Since the suggested method can be implemented by software alone (pulse sequence and corresponding tuning and reconstruction algorithms) without addition of special hardware, it can be widely used in existing MRI systems.

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A CPW-Fed Self-Affine Cross Shape Fractal Antenna (자기 아파인 프랙탈 구조를 이용한 CPW 급전 크로스 안테나)

  • Kim Tae-Hwan;Lee Jae-Wook;Cho Choon-Sik;Lee Yun-Hyun
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.16 no.9 s.100
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    • pp.949-956
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    • 2005
  • In this paper, a new CPW-fed cross shape fractal antenna having a self-affinity is presented. This novel configuration, which has anisotropic scaling symmetry, makes smaller profile characteristic compared to the fractal antenna using a self-similarity. Increase of the iteration coefficient, which leads to decrease of the fundamental resonant frequency, shows a good impedance matching condition and multi-band characteristics due to new surface current paths. The radiation patterns are similar to those of monopole antennas. In the K3 stage of iteration, the proposed antenna shows a measured maximum gain 2.27 dBi at 940 MHz. A commercially available software based on the FDTD algorithm has been used to obtain the predicted results. In addition, an RT/Duroid 5880 substrate has been employed for the experimental results.

Crystal Structure of cis-(Malonato)[(4R,5R)-4,5-bis(Aminomethyl)-2-Isopropyl-1,3-Dioxolane]Platinum(II), A Potent Anticancer Agent

  • Cho, Sang-Woo;Yongkee Cho;Kim, Dai-Kee;Wanchul Shin
    • Korean Journal of Crystallography
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    • v.11 no.1
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    • pp.22-27
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    • 2000
  • The structure of cis-(malonato)[(4R,5R)-4,5-bis(aminomethyl)-2-isopropyl-1,3-dioxolane]platinum(II) with a potent anticancer activity has been determined by the X-ray crystallographic method. Crystal data are as follows: Pt(C/sub 11/H/sub 20/N₂O/sub 6/), M/sub 4/=471.38, monoclinic, P2₁, a=7.112(1), b=33.615(3), c=7.135(1)Å, β=116.80(1)°, V=1522.6(3)Å, and Z=4. The two independent molecules with very similar structures are approximately related by pseudo two-fold screw axis symmetry, which makes the monolinic cell look like the orthorhombic cell with one molecule in the asymmetric unit and space group C222₁. The crystal packing mode is similar to that of the analogue with the dimethyl substituents instead of the isopropyl group. The Pt atom is coordinate to two O and two N atoms in a square planar structure. The six-membered chelate ring in the leaving ligand assumes a conformation intermediate between the half chair and the boat forms. The seven-membered ring in the carrier ligand assumes a twist-chair conformation and the oxolane ring assumes an envelope conformation. Crystal packing consists of the extensive hydrogen-bonding network in the two-dimensional molecular layers and weak van der Waals interactions between these layers.

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Visualization of Underexpanded Jet Structure from Square Nozzle

  • Tsutsumi, Seiji;Yamaguchi, Kazuo;Teramoto, Susumu
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2004.03a
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    • pp.408-413
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    • 2004
  • Numerical and experimental investigation were car-ried out to clarify the flow structure of underexpanded jet from a square nozzle. The square nozzle rep-resents one of the clustered combustors of a linear aerospike engine. From the numerical results, the three-dimensional shock wave of the underexpanded square jet was found to be composed of two shocks. One is the intercepting shock which corresponds to the shock observed in two-dimensional planar jet. The other is the recompression shock divided into two types. The expansion fans coming from the nozzle edges interact with each other at the comers of the nozzle exit, and overexpanded regions are generated. Therefore one of the two recompression shocks is formed at the comers of the nozzle exit behind the overexpanded regions. As the jet goes downstream, the overexpanded regions grow larger to coalesce at the symmetry planes. Then, the other type of the recompression shock is generated. The three-dimensional shock structure formed by the intercepting shock and the recompression shocks dominates the expansion of the jet boundary. The shock detection algorithm us-ing CFD results was developed to reveal the relation between the shock waves and the jet boundary, and it was found that the cross-sectional jet shape becomes cross-shape. The key features observed in the numerical investigation were verified by the experimental results. The shock structure at the diagonal plane was in good agreement with the experimental schlieren images. Moreover, the cross-sections visualized by the Mie scattering method confirmed that the cross-section of the jet becomes cross-shape.

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The Rejection of the GPS Interference Mirror Image by using the Three-dimensional Array Antenna (3차원 구조 배열안테나를 적용한 GPS 간섭신호 미러 이미지 제거)

  • Kim, JunO;Lee, Sang Jeong
    • Journal of Advanced Navigation Technology
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    • v.22 no.4
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    • pp.295-301
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    • 2018
  • Recently, GPS(Global Positioning System) array antenna technology is generally used and widely adopted as a national infrastructure structure and aero-vehicles for protection the GPS signal reception. Until now, the 2-dimensional planar array is universally used for its applications in the array antenna signal processing, however relatively higher altitude air vehicles such as UAV experiences additional null zones induced by low altitude GPS interferences which is located in a symmetry zone of antenna horizontal plane and this could make the receiving antenna pattern coverage reduction. In this paper, we improved 20% of the beam pattern receiving performance and 13 dB correlation value improvement by eliminating the interference mirror images.

Crystal Structure of Penicillin V Potassium Salt

  • Kim, Whan-Chul;Yi, Seung-Ho;Shin, Jung-Mi;Yoon, Tae-Sung
    • Bulletin of the Korean Chemical Society
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    • v.14 no.6
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    • pp.713-717
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    • 1993
  • The crystal structure of the potassium salt of penicillin V has been studied by the X-ray crystallographic methods. Crystal data are as follows; potassium 3,3-dimethyl-7-oxo-6-phenoxyacetoamido-4-thia-1- azabicyclo[3.2.0]-heptane-2${\alpha}$-carboxylate, $K^+{\cdot}C_{16}H_{18}N_2O_5S^-$, $M_r$= 388.5, triclinic, Pl, a= 9.371 (1), b= 12.497 (2), c= 15.313 (2) ${\AA},\;{\alpha}= 93.74\;(2),\;{\beta}=99.32\;(1),\;{\gamma}=90.17\;(1)^{\circ},\;V=1765.7\;(2)\;{\AA}^3$, Z=4, $D_m=1.461\;gcm^{-1},\;{\lambda}(Cu\;K{\alpha})=1.5418\;{\AA},\;{\mu}=40.1\;cm^{-1}$, F(000)=808, T=296 K. The structure was solved by the heavy atom and difference Fourier methods with intensity data measured on an automated four-circle diffractometer. The structure was refined by the full-matrix least-squares method to a final R= 0.081 for 3563 observed $[I_0{\geq}2{\sigam}(I_0)]$ reflections. The four independent molecules assume different overall conformations with systematically different orientations of the phenyl groups although the penam moieties have the same closed conformations. There are intramolecular hydrogen bonds between the exocyclic amide nitrogen and phenoxy oxygen atoms. The penam moiety is conformationally very restricted although the carboxyl and exocyclic amide groups apparently have certain rotational degrees of freedom but the phenyl group is flexible about the ether bond despite the presence of the intramolecular N-H${\cdots}$O hydrogen bond. There are complicated pseudo symmetric relationships in the crystal lattice. The penam moieties are related by pseudo 20.5 screw axes and the phenyl groups by pseudo centers of symmetry. The potassium ions, related by both pseudo symmetries, form an infinite zigzag planar chain parallel to the b axis. Each potassium ion is coordinated to seven oxygen atoms in a severely distorted pentagonal bipyramid configuration, forming the infinite hydrophilic channels which in turn form the molecular stacks. Between these stacks, there are only lipophilic interactions involving the phenyl groups.

A Study on the Jewelry decorative pattern based on Wa-Dang in Unified Silla period (통일신라시대 와당을 모티브로 한 주얼리장식용 문양 연구)

  • kyeng-Tae Kim
    • The Journal of the Convergence on Culture Technology
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    • v.9 no.6
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    • pp.113-122
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    • 2023
  • This study was conducted on the premise of the development of cultural products using relic assets of traditional culture in a knowledge and information society led by culture and soft power. It was conducted in the context of exploring the possibility of cultural content products of Wa-Dang relics excavated from traditional architecture in the Unified Silla Period and expanding the scalability of commercialization motifs that are highly useful in jewelry design. First, the original form, material, use, size, meaning, and formative aesthetics of Wa-Dang were identified through literature and media research. Among the considered Wa-Dang, 10 types of Wa-Dang which represent the category and have values in modules and patterns were selected, and, then, circular images were extracted and modularized with a "formal simplification technique." Based on the "mathematical symmetry analysis technique," which is a method of systematizing pattern composition arrangement format. we derived a planar formative element that can be used in the development of the cultural content industry and jewelry design. In order to expand its usability in the jewelry industry in the future, it was presented as a 2D digital image. In the future, we hope more studies on the various cultural content industry utilizing the traditional culture will be carried out.

A Pulse-Echo Testing Model for Partially Damaged Ultrasonic Transducers (부분 손상을 입은 초음파 탐촉자의 펄스-에코 시험 모델)

  • Song, Sung-Jin
    • Journal of the Korean Society for Nondestructive Testing
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    • v.16 no.2
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    • pp.95-108
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    • 1996
  • In ultrasonic testing, flaw signal from which quantitative information on flaws is determined is influenced by 3 factors : (1) the incident wavefield.produced by the transducer, (2) the scattered waves produced by flaws, and (3) the reception of the scattered waves back at the transducer. So even small changes in transducer performance due to aging or unexpected damages can produce the changes in the characteristics of flaw signal and finally the changes in the quantitative information on flaws. Thus a reliable calibration method of transducer performance is desired. Recently, theoretical models for ultrasonic testing have been employed as reference standards for the calibration of transducers which are considered as circular planar piston sources in the most of cases. But this simplification cannot be applied to partially damaged transducer which has lost their symmetry in performance, even not in appearance. Unfortunately there has been no reliable practical model which can be used for the calibration of partially damaged transducers. Here a pulse-echo testing model for partially damaged ultrasonic transducers was developed with experimental verification. The experimental responses agree very well with the theoretical prediction. So we expect that this model can be served as a theoretical reference standards for transducer calibration.

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