• Title/Summary/Keyword: Beta crystal

Search Result 453, Processing Time 0.029 seconds

X-ray crystal structure of two-dimensional bimetallic host clathrate with 2-aminoethanol, [Cd{NH2CH2CH2OH}2Ni(CN)4]·3C6H5NH2·H2O

  • Kim, Chong-Hyeak;Moon, Hyoung-Sil;Lee, Sueg-Geun
    • Analytical Science and Technology
    • /
    • v.21 no.6
    • /
    • pp.562-568
    • /
    • 2008
  • A novel two-dimensional cadmium(II)-nickel(II) bimetallic host clathrate, $[Cd{NH_2CH_2CH_2OH}_2Ni(CN)_4]{\cdot}3C_6H_5NH_2{\cdot}H_2O$, 1, has been synthesized and structurally characterized by X-ray single crystallographic method. The clathrate 1 crystallizes in the monoclinic system, space group $P2_1/c$ with a = 14.370(3), b = 7.728(1), c = 28.172(4) ${\AA}$, ${\beta}=97.58(1)^{\circ}$, V = 3101.1(9) ${\AA}^3$, Z = 4. The host framework of the clathrate 1 is built of the cyanide bridges between octahedral Cd(II) atom and square planar Ni(II) atom. The octahedral Cd atoms ligated by two 2-aminoethanol molecules and four cyanide ligands bridged with square planar Ni atoms. The Ni atoms bridges to four Cd atoms via cyanides is made up of puckered quadrangles of composition $\{CdNi(CN)_2\}_2$, all edges are shared. This cyanide bridges form an infinite two-dimensional host networks stacking along b axis. 2-Aminoethanol ligands bond to Cd atom through N atom as a monodentate ligand in the axial position and four cyanides take an equatorial plane with all in trans-configurations. The aniline guest molecules and water molecules are located in between the host layer sheets, respectively.

Crystal Chemistry and Fine-scale Paragenesis of Chuncheon Nephrite (춘천 연옥의 결정화학과 미시적 공생관계에 관한 연구)

  • 노진환;최진범
    • Journal of the Mineralogical Society of Korea
    • /
    • v.13 no.2
    • /
    • pp.96-114
    • /
    • 2000
  • 춘천 연옥은 색깔에 따라 세가지 유형 (연녹색, 암녹색, 및 회색 연옥)으로 구분되고 이들은 각기 서로 다른 조직과 조성을 나타낸다. 연녹색 연옥이 이중에서 가장 일반적인 유형이다. 연옥은 주로 극미립의 연옥질 투각섬석으로 구성되고 여기에 미량의 휘석, Mg-녹니석 및 방해석이 불순물로서 수반된다. 연옥질 투각섬석 결정들은 그 폭이 5$\mu\textrm{m}$ 이하의 극미립질 침상 결정형을 이루며 서로 치밀하게 얽혀있는 연옥 특유의 조직을 나타낸다. 주사전자현미경 하에서 (110)의 벽개면의 발달이 현저하고, 주사탐침현미경 하에서는 벽개면을 가로지르는 방향으로 특징적인 조선이 나타나는 것이 특징이다. 연옥질 투각섬석은 투과전자현미경 하에서 흔히 단쇄형과 복쇄형이 결합한 3중쇄형 격자가 복쇄형의 투각섬석 구조 내에서 불규칙적으로 협재되는 혼성격자 구조가 발달하는 것이 특징이다. 드물지만 5중쇄형 격자와 4중쇄형 격자도 관찰되는데, 이 같은 불규칙한 격자 혼재상은 회색 연옥에서 보다 현저한 경향을 보인다. 이와 같은 혼성격자 구조형의 존재는 춘천 연옥이 열역학적으로 비평형 상태에서 형성되었음을 시사하는 것으로 여겨진다. 리트벨트법에 의한 구조검증을 통해서 구해진 연옥질 투각섬석들의 격자상수 값들은 X-선회절의 경우, a=9.837(1)~9.9804(4)$\AA$, b=18.046(2)~18.062(1)$\AA$. c=5.2765(7)~5.2803(3)$\AA$, $\beta$=104.717(9)~104.786(3)$^{\circ}$로 계산되었다. 이에 비해서 중성자 회절법에 의해서 측정되 격자 상수 값은 a=9.8841(6)~9.8933(7)$\AA$, b=18.1429(7)~18.161(2)$\AA$, c=5.3024(3)~5.3060(7)$\AA$, $\beta$=104.698(7)~104.771(4)$^{\circ}$로서 X-선회절에 의한 값들과 약간의 차이를 보인다. 연옥질 투각섬석은 Ca에 대한 Mg의 치환에 의해 M(4) 자라의 크기가 작아지면서 b축의 단위포도 함께 줄어드는 결정화학적 특징을 나타낸다. 이는 중성자 회절분석에 의해서 구해진 M(4)의 자리점유율과 M(4)-O의 원자간 거리에 의해서도 확인된다. 그러나 연옥질 투각섬석에 대한 리트벨트법에 구조검증 결과는 연옥의 유형별 미시적 광물상과 혼성격자 구조형의 특징에 별다른 연계성이 없는 것으로 나타났다.

  • PDF

The Estimation for Mechanical and Electrical Properties of $\beta$-SiC-$TiB_2$ Composites by $TiB_2$ ($TiB_2$ 첨가량에 따른 $\beta$-SiC-$TiB_2$ 복합체의 전기적.기계적 특성 평가)

  • Park, Mi-Lim;Shin, Yong-Deok;Ju, Jin-Young;Choi, Kwang-Soo;Lee, Dong-Yoon;So, Byung-Moon
    • Proceedings of the KIEE Conference
    • /
    • 2001.11a
    • /
    • pp.75-77
    • /
    • 2001
  • The mechanical and electrical properties of the pressureless annealed SiC-$TiB_2$ electro conductive ceramic composites were investigated as functions of the transition metal of $TiB_2$. The result of phase analysis for the SiC-$TiB_2$ composites by XRD revealed $\alpha$-SiC(6H). $TiB_2$, and YAG($Al_5Y_3O_{12}$) crystal phase. The relative density showed the lowest 84.8% for the SiC-$TiB_2$ composites added with 39vol.%$TiB_2$. Owing to crack deflection, crack bridging and YAG of fracture toughness mechanism, the fracture toughness showed the highest value of $7.8\;MPa{\cdot}m^{1/2}$ for composites added with 39vol.%$TiB_2$ under a pressureless annealing at room temperature. The electrical resistivity of the SiC-27vol.%$TiB_2$ composites was negative temperature coefficient resistance(NTCR), and the electrical resistivity of the besides SiC-27vol.%$TiB_2$ composites was all positive temperature coefficient resistance(PTCR) in the temperature range of $25^{\circ}C$ to $700^{\circ}C$.

  • PDF

The Synthesis and Crystal Structure of (${\eta}^5-Cp^*$)(Ir-B3)(1,2-S,S($CH_2SiMe_3$)-o-carborane)($C_{16}H_{35}B_{10}IrS_2Si$) ((${\eta}^5-Cp^*$)(Ir-B3)(1,2-S,S($CH_2SiMe_3$)-o-carborane) ($C_{16}H_{35}B_{10}IrS_2Si$)의 합성 및 결정구조)

  • Cho, Sung-Il
    • Korean Journal of Crystallography
    • /
    • v.18 no.1_2
    • /
    • pp.1-6
    • /
    • 2007
  • An Organometallic compound, $C_{16}H_{35}B_{10}IrS_2Si$, was synthesized from o-carborane, $Cp^*Ir(S_2C_2B{10}H_{10})$, and $Me_3SiCHN_2$. The molecular structure of this complex has been determined by X-ray diffraction. Crystallographic data : monoclinic, space group $P2_1/n$, $a=10.1986(12)\;{\AA}$, $b=14.834(5)\;{\AA}$, $c=17.139\;{\AA}$, ${\beta}=92.24(2)^{\circ}$, Z=4, $V=2591.0(14)\;{\AA}^3$. The structure was solved by direct methods and refined by full-matrix leat-squares methods to give a model with a reliability factor R=0.053 for 5080 reflections.

Synthesis of Monolithic Gel to Bulk glass-Ceramic in Multicomponent Li2O-Al2O3-SiO2 System (Sol-Gel법에 의한 Li2O-Al2O3-SiO2계 괴상겔 및 결정화유리의 합성)

  • 양중식;작화제부
    • Journal of the Korean Ceramic Society
    • /
    • v.25 no.5
    • /
    • pp.541-551
    • /
    • 1988
  • The purpose of this investigation was to prepare multicomponent monolithic Li-Al-Si gels of composition(mol%) 16.67 Li2O-16.67 Al2O3-66.67 SiO2 and to convert the gels to monolithic glass-ceramic at low temperature without melting. The hydrolysis, DTA, TGA, TMA, SEM, pore distribution, density and the activation energy for crystallization of the glass-ceramic formation with rawmaterials of which tetraethl orhosilicate of networkforming cation(Si) is partially hydrolyzed, aluminum isoproxide and lithium methoxide prepared by Li-metal react with methanol were studied. The results were as follows : 1) Monolithic gels which were added with additional water, resulting in a total water content 2.5 to 3.0 times the stoichiometric amount required to fully hydrolyze the alkoxides. 2) Specimens were dried to form crylinders 60mm in length and 40mm in diameter in about 800 hrs at 5$0^{\circ}C$. 3) $\beta$-eucryptite crystals and $\beta$-spodumene crystals were detected in samples heated above 75$0^{\circ}C$. 4) Within the temperature and range of 25-50$0^{\circ}C$ and 1,00$0^{\circ}C$ the thermal expansion coefficient for crystallized samples were shown as 2.6-5.7$\times$10-7/$^{\circ}C$ and 7.4-12.5$\times$10-7/$^{\circ}C$, respectively. 5) The activation energy for the crystal growth was 11.01kcal/mol at 794$^{\circ}C$ to 85$0^{\circ}C$.

  • PDF

Preparation of Glass-Ceramics in $Li_2O-Al_2O_3-TiO_2-SiO_2$ System by Sol-Gel Technique : (II) Crystallization of $Li_2O-Al_2O_3-TiO_2-SiO_2$ Monolithic Gel Prepared by Sol-Gel Method (Sol-Gel 법에 의한 $Li_2O-Al_2O_3-TiO_2-SiO_2$ 계 다공성 결정화 유리의 제조 : (II) Sol-Gel 법에 의해 제조된 $Li_2O-Al_2O_3-TiO_2-SiO_2$ 계 괴상겔의 결정화)

  • 조훈성;양중식
    • Journal of the Korean Ceramic Society
    • /
    • v.32 no.4
    • /
    • pp.507-515
    • /
    • 1995
  • The monolithic dry gels of the Li2O-Al2O3-TiO2-SiO2 system were prepared by the sol-gel technique using metal alkoxides as starting materials to obtain monolithic glass-ceramics at low temperature without melting. Activation energy for the crystal growth of the gel with 6.05% TiO2, nucleating ageng, for the preparation of Li2O-Al2O3-TiO2-SiO2 system glass-ceramic was 101.14kcal/mol. As a result of the analysis of DTA & XRD, it was confirmed that the crytallization of Li2O-Al2O3-TiO2-SiO2 system glass-ceramic was the most efficient when 6.05% TiO2, nucleating agent, was added. $\beta$-eucryptite solid solution crystals and $\beta$-spodumene solid solution crystals were detected in the sample heat treated above 85$0^{\circ}C$. The sintered gel heat treated at 85$0^{\circ}C$ had the specific surface area of 185$m^2$/g, the pore volume of 0.19cc/g and the average pore radius of 20.8$\AA$. This shows that the sintered gel is also comparatively porous material. In temperature range of 25~85$0^{\circ}C$ thermal expansion coefficient of the specimen which was crystallized for 10hrs at 85$0^{\circ}C$ was 6.7$\times$10-7/$^{\circ}C$, which indicated that the crystallized specimen was turned out to be the glass-ceramic with low thermal expansion.

  • PDF

Binding Mode Prediction of 5-Hydroxytryptamine 2C Receptor Ligands by Homology Modeling and Molecular Docking Analysis

  • Ahmed, Asif;Nagarajan, Shanthi;Doddareddy, Munikumar Reddy;Cho, Yong-Seo;Pae, Ae-Nim
    • Bulletin of the Korean Chemical Society
    • /
    • v.32 no.6
    • /
    • pp.2008-2014
    • /
    • 2011
  • Serotonin or 5-hydroxytryptamine subtype 2C ($5-HT_{2C}$) receptor belongs to class A amine subfamily of G-protein-coupled receptor (GPCR) super family and its ligands has therapeutic promise as anti-depressant and -obesity agents. So far, bovine rhodopsin from class A opsin subfamily was the mostly used X-ray crystal template to model this receptor. Here, we explained homology model using beta 2 adrenergic receptor (${\beta}$2AR), the model was energetically minimized and validated by flexible ligand docking with known agonists and antagonists. In the active site Asp134, Ser138 of transmembrane 3 (TM3), Arg195 of extracellular loop 2 (ECL2) and Tyr358 of TM7 were found as important residues to interact with agonists. In addition to these, V208 of ECL2 and N351 of TM7 was found to interact with antagonists. Several conserved residues including Trp324, Phe327 and Phe328 were also found to contribute hydrophobic interaction. The predicted ligand binding mode is in good agreement with published mutagenesis and homology model data. This new template derived homology model can be useful for further virtual screening based lead identification.

Structure of Yb Complex with 3-nitro-1,2,4-triazol-5-one (3-nitro-1,2,4-triazol-5-one의 Yb 착물 구조)

  • 김광주;김재경;오기환
    • Journal of the Korea Institute of Military Science and Technology
    • /
    • v.4 no.1
    • /
    • pp.198-206
    • /
    • 2001
  • The structure of Yb complex with 3-nitro-1,2,4-triazol-5-one(NTO), $[Yb(NTO)3(H2O)4].5H2O$ has been investigated by X-ray diffraction method. Crystallographic data for the title compound : monoclinic, C2/c, $a=36.925(2){\AA},$ b=6.6770(4)${\AA},$ c=25.6376(15)${\AA},$ {\beta}=130.978(1)^{\circ},$ V=4772.0(5)${\AA}^3,$ Z=8, $D_c,=1.952\; Mg/m^3.$ The intensity data were collected on a Broker SMART diffractometer equipped with a CCD area detector using Mo $K\alpha$ radiation. The structure was solved by direct method and refined by full-matrix least-squares calculations to a final R value of 0.0424 for 4727 independent reflections and 335 parameters. The three carbonyls of three NTO anions and four ligand water molecules which are formed the pentagonal bipyramid are coordinated with $Yb^{3+}$ and also five water molecules are included in the form of the crystal water in the molecular structure.

  • PDF

Utilization of Scheelite Mine Tailing as Raw Material of Ordinary Portland Cement (보통포틀랜드시멘트 원료로서 회중석 광미의 활용)

  • 김형석;정수복;김완태;안지환;채영배
    • Resources Recycling
    • /
    • v.13 no.3
    • /
    • pp.19-26
    • /
    • 2004
  • In order to use the mine tailing which was generated in the flotation process of scheelite ore into the raw material of ordinary portland cement, the characteristics of the prepared cement clinker was investigated. Scheelite mine tailing is composed of 68.8% of $SiO_2$, 8.6% of $Al_2$$O_3$, 10.8% of $Fe_2$$O_3$, 5.0% of CaO, respectively. It exists as $\alpha$-quartz, muscovite, clinochlore and has 8.0% of 88 $\mu\textrm{m}$ residue. When LSF, SM, and IM of the raw materials (such as limestone, convertor slag, fly ash, and mine tailing) are 91.0, 2.60, and 1.60, respectively, the burnability index of the raw materials is 50.7, the crystal size of $C_3$S and $\beta$-C$_2$S in the prepared clinker is 15∼35$\mu\textrm{m}$, and about 3.8% of scheelite mine tailing can be used as raw material.

Inhibition of Inducible Nitric Oxide Synthase Attenuates Monosodium Urate-induced Inflammation in Mice

  • Ju, Tae-Jin;Dan, Jin-Myoung;Cho, Young-Je;Park, So-Young
    • The Korean Journal of Physiology and Pharmacology
    • /
    • v.15 no.6
    • /
    • pp.363-369
    • /
    • 2011
  • The present study elucidated the effect of the selective inducible nitric oxide synthase (iNOS) inhibitor $N^6$-(1-iminoethyl)-L-lysine (L-NIL) on monosodium urate (MSU) crystal-induced inflammation and edema in mice feet. L-NIL (5 or 10 mg/kg/day) was administered intraperitoneally 4 h before injection of MSU (4 mg) into the soles of mice hindlimb feet. Twenty-four hours after MSU injection, foot thickness was increased by 160% and L-NIL pretreatment reduced food pad swelling in a dose dependent manner. Pretreatment of 10 mg/kg/day L-NIL significantly suppressed the foot pad swelling by MSU. Plasma level of nitric oxide (NO) metabolites and gene expression and protein level of iNOS in feet were increased by MSU, which was suppressed by L-NIL pretreatment. Similar pattern of change was observed in nitrotyrosine level. MSU increased the gene expression of tumor necrosis factor (TNF)-${\alpha}$ and interleukin (IL)-$1{\beta}$ and L-NIL pretreatment suppressed MSU-induced cytokines expression. The mRNA levels of superoxide dismutase and glutathione peroxidase1 were increased by MSU and L-NIL pretreatment normalized the gene expression. Phosphorylation of extracellular signal-regulated kinase 1/2 and p38 was increased by MSU, which was suppressed by L-NIL pretreatment. The mRNA levels of iNOS, TNF-${\alpha}$, and IL-$1{\beta}$ were increased by MSU in human dermal fibroblasts, C2C12 myoblasts, and human fetal osteoblasts in vitro, which was attenuated by L-NIL in a dose dependent manner. This study shows that L-NIL inhibits MSU-induced inflammation and edema in mice feet suggesting that iNOS might be involved in MSU-induced inflammation.