• 제목/요약/키워드: Unit Structure Matrix

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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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    • 제16권9호
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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.

$Ag^+$이온과 $Ca^{2+}$이온으로 치환한 제올라이트 A를 탈수한 후 요오드를 흡착한 결정구조 (The Crystal Structure of an Iondine Sorption Complex of Dehydrated Calcium and Silver Exchanged Zeolite A)

  • 배명남;김양;김은식
    • 한국결정학회지
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    • 제6권2호
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    • pp.118-124
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    • 1995
  • Ag+ 이온과 Ca2+ 이온으로 교환하고 진공 탈수한 제올라이트 A에 요오드를 흡착한 결정 구조(a=12.174(3)Å)를 21℃에서 입방공간군 Pm3m을 사용하여 단결정 X-선 회절법으로 구조를 해석하였다. 결정은 AgNO3와 Ca(NO3)2의 몰비를 1:150으로 하고 농도를 0.05 M로 한 혼합용액을 사용해 흐름법으로 3일간 이온교환한 후 360℃에서 2×10-6 Torr하에서 2일간 진공탈수한 후 80℃에서 14.3 Torr의 요오드 증기로 24시간 처리하였다. 결정구조는 Full-matrix 정밀화 계산에서 I > 3σ(I)인 122개의 독립 반사를 사용하여 최종 오차 지수 R1=0.082, R2=0.068까지 정밀화시켰다. 본 결정 구조에는 단위세포당 결정학적으로 세 가지의 다른 종류의 양이온 즉 2개의 Ag+ 이온, 1.1 개의 Ag+ 이온 그리고 4.45개의 Ca2+이온이 6-링의 산소와 결합하면서 각각 서로 다른 3회 회전축 상에 위치하고 있었다. 2.0개의 Ag+ 이온이 3개의 산소로 만들어지는 (111) 평면으로부터 큰 동공쪽으로 1.399(4)Å 떨어져 위치하고 있었다. 또 다른 1.1 개의 Ag+이온은 반대쪽에서 발견되었다. 여섯 분자의 요오드 분자가 흡착되었다. 각 요오드 분자는 골조 산소와 전하이동 착물을 형성하였다. (O-I=3.43(2)Å, I-I=2.92Å, I-I-O;166.1(3)°). 이중 2개의 요오드 분자는 각각 하나의 Ag+ 이온과 매우 가깝게 결합하고 있음을 알 수 있었다(Ag-I;2.73Å).

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Crystal Structure of Byakangelicin ($C_{17}H_{18}O_{7}$)

  • Kim, Yang-Bae;Oh, Yong-Ho;Park, Il-Yeung;Shin, Kuk-Hyun
    • Archives of Pharmacal Research
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    • 제25권3호
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    • pp.275-279
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    • 2002
  • The crystal structure of byakangelicin, one of furanocoumarin aldose reductase inhibitors, was determined by X-ray diffraction method. The crystal is triclinic, with a=8.114(1), b=10.194(1), $c=11.428(1)\AA,{\;}{\alpha}=111.50(1),{\}{\beta}=95.57(1),{\}{\gamma}=112.52(1)^{circ},{\;}D_x=1.41,{\;}D_m=1.39{\;}g/cm^3$, space group P1 and Z=2. The intensity data were collected by ${\omega}-2{\theta}$ scan method with $CuK_{a}$ radiations. The structure was solved by direct method and refined by full matrix least-squares procedure to the final R-value of 0.056. There are two molecules with different conformations in an asymmetric unit. The molecules are kept by two intermolecular O-HO type hydrogen bonds and van der Waal's forces in the crystal. The absolute configuration of the molecules was estimated to S-form by the 'Eta refinement' procedure.

Bandgap capability of hybrid Kirigami inspired cellular structures

  • Del Broccolo, S.;Ouisse, M.;Foltete, E.;Scarpa, F.
    • Advances in aircraft and spacecraft science
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    • 제6권6호
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    • pp.479-495
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    • 2019
  • Periodic cellular core structures included in sandwich panels possess good stiffness while saving weight and only lately their potential to act as passive vibration filters is increasingly being studied. Classical homogeneous honeycombs show poor vibracoustic performance and only by varying certain geometrical features, a shift and/or variation in bandgap frequency range occurs. This work aims to investigate the vibration filtering properties of the AUXHEX "hybrid" core, which is a cellular structure containing cells of different shapes. Numerical simulations are carried out using two different approaches. The first technique used is the harmonic analysis with commercially available software, and the second one, which has been proved to be computationally more efficient, consists in the Wave Finite Element Method (WFEM), which still makes use of finite elements (FEM) packages, but instead of working with large models, it exploits the periodicity of the structure by analysing only the unit cell, thanks to the Floquet-Bloch theorem. Both techniques allow to produce graphs such as frequency response plots (FRF's) and dispersion curves, which are powerful tools used to identify the spectral bandgap signature of the considered structure. The hybrid cellular core pattern AUXHEX is analysed and results are discussed, focusing the investigation on the possible spectral bandgap signature heritage that a hybrid core experiences from their "parents" homogeneous cell cores.

Tricyclazole, $C_9H_7N_3S$ 의 분자 및 결정구조 (The Molecular and Crystal Structure of tricyclazole, $C_9H_7N_3S$)

  • Keun Il Park;Young Kie Kim;Sung Il Cho;Man Hyung Yoo
    • 한국결정학회지
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    • 제13권3_4호
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    • pp.152-157
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    • 2002
  • X선 회절법을 이용하여 Tricyclazole, C/sub9/H/sub7/N₃S 분자 및 결정 구조를 규명하였다. 화합물의 결정학 자료: Orthorhombic 공간군 Pca2₁, a=14.889(1) Å, b=7.444(1) Å, c=15.189(2) Å, V=1683.3(3) ų, Z= 8분자 구조는 직접법으로 풀었고 완전최소자승법으로 정밀화하여 1533(F/sub o//sup 2/>4σ(F/sub o//sup 2/))인 독립회절반점에 대하여 최종 신뢰도값 R=0.047을 얻었다. 구조 해석 결과 두 분자가 asymmetric 단위로 구성되어 있으며 각각의 분자는 서로 거의 평형을 이루면서 b축 방향으로 유사 4-fold screw를 이루고 있었다.

Mycoplasma Pnemoniae 세포의 발달과정 중 미세구조 및 형태학적 특징 (Ultrastructure and Mrphological Fatures of Mcoplasma pneumoniae during Clture Dvelopment)

  • Kim, Chi-Kyung;Pfister Robert M.;Somerson Norman L.
    • 미생물학회지
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    • 제17권1호
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    • pp.1-15
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    • 1979
  • Mycoplasma pneumoniae strain CL-s attached to broth-covered surfaces was examined sequentially during growth from single cells for morphologic and ultrastructural changes using several different electron microscopic techniques. Changes in morphology revealed both round and spindle shapes and observation of cell transitions suggested some type of morphological cycle. The round to-ovoid cells observed in the early stages of growth appeared to be viable, and morphologically and ultrastructurally different from the spherical fors which were produced during the latter stage of growth. The spindle segments were detected appeared to be structurally the same as the terminal cored structure seen in thin sections and may be a growing point or an attachment site of the cell. A tubular structure was observed in the core of the terminal structure and a microtubule-like element appeared to bridge between some spindle segments. A matrix sunstance was observed around single cells as well in the intercellular space of the colonies prepared by critical point metrical triple-layered cytoplasmic mermbranes, surfaces, of which appeared to be structurally different each other, were observed in young cells, whereas symmetrical and thicker membranes were seen in older cells. Small bodies were found in 4d or older cultures and did not appear to contain any internal structures or an easily detectable unit membrane.

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세포의 자가 치료 기능을 모사한 디지털 회로에서의 오류위치 확인 및 복구 알고리즘 (An recovery algorithm and error position detection in digital circuit mimicking by self-repair on Cell)

  • 김석환;허창우
    • 한국정보통신학회:학술대회논문집
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    • 한국정보통신학회 2015년도 추계학술대회
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    • pp.842-846
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    • 2015
  • 본 연구에서는 세포의 자가 치료 기능을 모사하여 복잡한 디지털 회로를 기능별 분리시킨 구조에서 회로 동작 중 발생하는 오류 위치를 빠르게 찾고 복구 시키는 알고리즘 방법을 제안한다. 디지털 회로를 각 기능별로 9가지로 분리시켜 오류 난 디지털 회로의 기능블록 위치를 빠르게 검출할 수 있게 하며 복구 시키는 방법을 제안한다. 복잡한 구조의 디지털 회로에서도 각 디지털 회로의 기능 별 위치에 대한 번호 및 좌표를 $3{\times}3$ 행렬 구조로 확대시켜 오류 위치에 대아여 검출 및 복구가 가능한 알고리즘이다.

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N-(Diphenylmethylene)aminomethylphosphonate의 결정 구조 (The Crystal Structure of N-(Diphenylmethylene) aminomethylphosphonate)

  • 김문집;박호종;김대영
    • 한국결정학회지
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    • 제13권2호
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    • pp.86-90
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    • 2002
  • X-선 회절법을 이용하여 N-(Diphenylmethylene)aminomethylphosphonate의 결정 구조를 규명하였다. 이 결정의 결정계는 삼사정계이며 공간군은 P(equation omitted)이다. 단위포 상수는 a=8.967(2) (equation omitted), b=9.309(2) (equation omitted), c= 10.981(2) (equation omitted), α=101.42(2)°, β=92.22(2)°, γ=92.23(2)°, V=896.8(3) (equation omitted), T=296 K, Z=2, D/sub c/=1.227 Mgm/sup -3/이다. 회절반점들의 세기는 Enraf-Nonius CAD-4 Diffracto-meter로 얻었으며 MoKα선(λ=0.7107(equation omitted))을 사용하였다. 분자 구조는 직접법으로 풀었으며, F/sub o/>4σ(F/sub o/)인 979개의 독립 회절 데이터에 대하여 최소자승법으로 209개의 변수를 정밀화하여 최종 신뢰도 값 R=7.3%을 얻었다.

세포의 자가 치료 기능을 모사한 디지털 회로에서의 오류 검출 및 복구 알고리즘 (An Error Detection and Recovery Algorithm in Digital Circuit Mimicking by Self-Repair on Cell)

  • 김석환
    • 한국정보통신학회논문지
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    • 제19권11호
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    • pp.2745-2750
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    • 2015
  • 본 연구에서는 세포의 자가 치료 기능을 모사하여 복잡한 디지털 회로를 기능별 분리시킨 구조에서 회로 동작 중 발생하는 오류 위치를 빠르게 찾고 복구 시키는 알고리즘 방법을 제안한다. 디지털 회로를 각 기능별로 9가지로 분리시켜 오류 난 디지털 회로의 기능블록 위치를 빠르게 검출할 수 있게 하며 복구 시키는 방법을 제안한다. 복잡한 구조의 디지털 회로에서도 각 디지털 회로의 기능별 위치에 대한 번호 및 좌표를 $3{\times}3$ 행렬 구조로 확대시켜 오류 위치에 대하여 검출 및 복구가 가능한 알고리즘이다.

Synthesis and X-Ray Structure of 25-Acetoxy-26,27,28-trimethoxycalix[4]arene

  • ;;;임수경
    • Bulletin of the Korean Chemical Society
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    • 제15권12호
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    • pp.1108-1112
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    • 1994
  • 25-Acetoxy-26,27,28-trimethoxycalix[4]arene was synthesized by the treatment of calix[4]arene trimethyl ether with acetyl chloride in the presence of NaH. The solution conformation was inferred as a partial cone conformation based on the $^1H$-and $^{13}C$ NMR spectra. The crystal structure has been determined by X-ray diffraction method. The crystals are monoclinic, space group $P2_1$/n, a=8.186 (1), b=17.137 (2), c=19.878 (3) ${\AA}$, ${\beta}$=95.67 (1)$^{\circ}$, Z=4, V=2774.90 ${\AA}^3$, $D_c$= 1.22 g $cm^{-3}$, $D_m$=1.23 g $cm^{-3}$. The intensity data were collected on an Enraf-Noninus CAD-4 Diffractometer with a graphite monochromated $Cu-K{\alpha}$ radiation. The structure was solved by direct method and refined by full-matrix least-squares methods to a final R value of 0.054 for 3675 observed reflections. The molecule possesses a partial cone conformation with one flattened phenyl unit, in which one anisol ring, distal to the ester ring, is inverted. The acetoxyphenyl ring is flattened.