• Title/Summary/Keyword: Crystal and molecular structure

Search Result 374, Processing Time 0.035 seconds

Molecular Cloning and Characterization of the Yew Gene Encoding Squalene Synthase from Taxus cuspidata

  • Huang, Zhuoshi;Jiang, Keji;Pi, Yan;Hou, Rong;Liao, Zhihua;Cao, Ying;Han, Xu;Wang, Qian;Sun, Xiaofen;Tang, Kexuan
    • BMB Reports
    • /
    • v.40 no.5
    • /
    • pp.625-635
    • /
    • 2007
  • The enzyme squalene synthase (EC 2.5.1.21) catalyzes a reductive dimerization of two farnesyl diphosphate (FPP) molecules into squalene, a key precursor for the sterol and triterpene biosynthesis. A full-length cDNA encoding squalene synthase (designated as TcSqS) was isolated from Taxus cuspidata, a kind of important medicinal plants producing potent anti-cancer drug, taxol. The full-length cDNA of TcSqS was 1765 bp and contained a 1230 bp open reading frame (ORF) encoding a polypeptide of 409 amino acids. Bioinformatic analysis revealed that the deduced TcSqS protein had high similarity with other plant squalene synthases and a predicted crystal structure similar to other class I isoprenoid biosynthetic enzymes. Southern blot analysis revealed that there was one copy of TcSqS gene in the genome of T. cuspidata. Semi-quantitative RT-PCR analysis and northern blotting analysis showed that TcSqS expressed constitutively in all tested tissues, with the highest expression in roots. The promoter region of TcSqS was also isolated by genomic walking and analysis showed that several cis-acting elements were present in the promoter region. The results of treatment experiments by different signaling components including methyl-jasmonate, salicylic acid and gibberellin revealed that the TcSqS expression level of treated cells had a prominent diversity to that of control, which was consistent with the prediction results of TcSqS promoter region in the PlantCARE database.

A topological metal at the surface of an ultrathin BiSb alloy film

  • Hirahara, T.;Sakamoto, Y.;Saisyu, Y.;Miyazaki, H.;Kimura, S.;Okuda, T.;Matsuda, I.;Murakami, S.;Hasegawa, S.
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2010.02a
    • /
    • pp.14-15
    • /
    • 2010
  • Recently there has been growing interest in topological insulators or the quantum spin Hall (QSH) phase, which are insulating materials with bulk band gaps but have metallic edge states that are formed topologically and robust against any non-magnetic impurity [1]. In a three-dimensional material, the two-dimensional surface states correspond to the edge states (topological metal) and their intriguing nature in terms of electronic and spin structures have been experimentally observed in bulk Bi1-xSbx single crystals [2,3,4]. However, if we want to know the transport properties of these topological metals, high purity samples as well as very low temperature will be needed because of the contribution from bulk states or impurity effects. In a recent report, it was also shown that an intriguing coupling between the surface and bulk states will occur [5]. A simple solution to this bothersome problem is to prepare a topological metal on an ultrathin film, in which the surface-to-bulk ratio is drastically increased. Therefore in the present study, we have investigated if there is a method to make an ultrathin Bi1-xSbx film on a semiconductor substrate. From reflection high-energy electron diffraction observation, it was found that single crystal Bi1-xSbx films (0${\sim}30\;{\AA}A$ can be prepared on Si(111)-$7{\times}7$. The transport properties of such films were characterized by in situ monolithic micro four-point probes [6]. The temperature dependence of the resistivity for the x=0.1 samples was insulating when the film thickness was $240\;{\AA}A$. However, it became metallic as the thickness was reduced down to $30\;{\AA}A$, indicating surface-state dominant electrical conduction. Figure 1 shows the Fermi surface of $40\;{\AA}A$ thick Bi0.92Sb0.08 (a) and Bi0.84Sb0.16 (b) films mapped by angle-resolved photoemission spectroscopy. The basic features of the electronic structure of these surface states were shown to be the same as those found on bulk surfaces, meaning that topological metals can be prepared at the surface of an ultrathin film. The details will be given in the presentation.

  • PDF

Solution Structure of 21-Residue Peptide (Asp 84-Leu 104), Functional Site derived from $p16^{INK4A}$ ($p16^{INK4A}$ 단백질 활성부위(Asp 84-Leu 104)의 용액상 구조)

  • Lee, Ho-Jin;Ahn, In-Ae;Ro, Seonggu;Choi, Young-Sang;Yoon, Chang No;Lee, Kang-Bong
    • Analytical Science and Technology
    • /
    • v.13 no.4
    • /
    • pp.494-503
    • /
    • 2000
  • A 21-residue peptide corresponding to amino acids 84-104 of $p16^{INK4A}$, the tumor suppressor, has been synthesized and its structure was studied by Circular Dichroism, $^1H$ NMR spectroscopy and molecular modeling. A p16-derived peptide (84-104 amino acids) forming stable complex with CDK4 and CDK6 inhibits the ability of CDK4/6 to phosphorylate pRb in vitro, and blocks cell-cycle progression through G1/S phase as shown in the function of the full-length p16. Its NMR spectral data including NOEs, $^3J_{NH-H{\alpha}}$ coupling constants, $C_{\alpha}H$ chemical shift, the average amplitude of amide chemical shift oscillation and temperature coefficients indicate that the secondary structure of a p16-derived peptide is similar to that of the same region of full-length p16, which consists of helix-turn-helix structure. The 3-D distance geometry structure based on NOE-hased distance and torsion angle restraints is characterized by ${\gamma}$-turn conformation between residues $Gly^{89}-Leu^{91}$(${\varphi}_{i+1}=-79.8^{\circ}$, ${\varphi}_{i+1}=60.2^{\circ}$) as evidenced in a single crystal structure for the corresponding region of p18 or p19, but is undefined at both the N and C termini. This compact and rigid ${\gamma}$-turn region is considered to stabilize the structure of p16-derived peptide and serve as a site recognizing cyelin dependent kinase, and this well-defined ${\gamma}$-turn structure could be utilized for the design of anti-cancer drug candidates.

  • PDF

Development and Prospect of Emulsion Technology in Cosmetics (화장품에서 유화기술의 발전 및 전망)

  • Kyong, Kee-Yeol;Lee, Cheon-Koo
    • Journal of the Society of Cosmetic Scientists of Korea
    • /
    • v.32 no.4 s.59
    • /
    • pp.209-217
    • /
    • 2006
  • Emulsion is a dispersion system among liquids which are not miscible together. There are numerous cosmetic raw materials which have different physicochemical properties. Therefore, emulsion technology is very useful in cosmetics. With the development of emulsifier, several emulsification technologies have been developed. Since HLB method by Griffin in 1950's, PIT method, gel method, and D-phase methods, etc, have been developed. Recently, the application of natural emulsifier and polymeric emulsifier increases in cosmetics in order to achieve enhanced safety and biocompatibility. Besides nano-emulsion, multiple-emulsion, liquid crystal emulsion, and Pickering emulsion have been developed and applied as means of differentiating appearance and texture of products and achieving enhanced delivery of active ingredients. Meanwhile, the application studies of nano-dispersed structural system such as liposome or cubosome are on progress. Liposome is a bi- or multi-lamella layer dispersion system composed of amhiphilic molecules - phospholipids which are main components of plasma membrane. Cubosome also is a nano-sized dispersion system composed of a specific molecule like glyceryl monoloeate derived from natural products. And it has a cubic bicontinuous structure in water due to its unique molecular structure. Incorporating compounds (active materials) into such nano-particles can increase biocompatibility and delivery efficiency of target compounds. Manufacturing process and application of cosmetic emulsions and nano-particles are briefly introduced in this paper.

The Crystal and Molecular Structure of p-Phenylenediamine Dihydroperchlorate (p-Phenylenediamine Dihydroperchlorate의 결정 및 분자구조)

  • Ahn Choong Tai
    • Journal of the Korean Chemical Society
    • /
    • v.21 no.5
    • /
    • pp.320-329
    • /
    • 1977
  • p-Phenylenediamine dihydroperchlorate, $C_6H_4N_2H_4{\cdot}2HC1O_4$, crystallizes in space group $P\={1}$ with $a=4.79{\pm}0.02,\;b=9.03{\pm}0.02,\;c=7.12{\pm}0.03{\AA},\;{\alpha}=109.4{\pm}0.2,\;{\beta}=79.6{\pm}0.2,\;r=104.6{\pm}0.2^{\circ},\;Z=1$. The structure has been solved by the Patterson and Fourier methods. The refinement by block-diagonal least-squares cycles gives R = 0.13 for 387 observed reflexions collected on equi-inclination Weissenberg photographs with CuK${\alpha}$ radiation. There are two different types of five hydrogen bonds. The first type consists of one trifurcated N${\cdot}{\cdot}{\cdot}$O hydrogen bond and the second of two normal N${\cdot}{\cdot}{\cdot}$O hydrogen bonds, both of which exist between the amino group and the perchlorate, groups. A p-phenylenediamine group is approximately planar within an experimental error and bonded to twelve perchlorates: ten perchlorates forming hydrogen bonds and two being contacted with the van der Waals forces. A perchlorate group is surrounded by six p-phenylenediamines and four perchlorates; among the six p-phenylenediamines, five of them are hydrogen-bonded, and the rest contacted with the van der Waals force.ce anaysis of our samples and investigated the variarions in the values of parameters obtained through fitting the theoretical impedance to the experimental impedance. The characters of the dielectric constant and the impedance showed abnormal variations for the 0.2 at K-doped NSBN ceramics, which we were able to interpret in terms of the variations in the number A-site vacancies with the K doping ratio. From these results, A-site vacancies are thought to be space charges that influence the ferroelectric properties of NSBN ceramics.

  • PDF

The Crystal and Molecular Structure of 6-Ethyl-5,6-Dihydrouracil (6-에틸-5,6-디히드로우라실의 결정 및 분자구조)

  • An, Choong Tai
    • Journal of the Korean Chemical Society
    • /
    • v.40 no.3
    • /
    • pp.161-166
    • /
    • 1996
  • 6-ethyl-5,6-dihydrouracil($C_6H_10N_2O_2$) is monoclinic, space group $$P2_{1}c}$$ with a=10.302(2), b=10.419(3), $c=7.095(1)\AA$, $\beta=106.6(0)$, Z=4, $V=729.7(3)\AA$^3$$, $D_c=1.29 g/cm^3,\;{\lambda}(MoK\alpha)=0.71073\AA$, $\mu=0.010cm^{-1}$, F(000)=304, and R=0.054 for 1070 unique observed reflection with F>4.0 $\sigma(F).$ The structure was solved by direct methods and refined by full-matrix least-squares refinement with the fixed C-H bond length at $0.96\AA.$ The hydrouracil molecule makes an envelope conformation with the ethyl substituent oriented to an axial position attainable to a varying degree of steric strain. There are two intermolecular hydrogen-bondings via N-H---O interactions, being nearly parallel to the 100 plane. The shortest distance between molecules is $3.187\AA$ of C(4) and O(8) (-x,-y, 1-z).

  • PDF

Synthesis, Sytructure, and Magnetic Properties of One-Dimensional Thiophoshates, $Al_2NiP_2S_6$ (A=Rb, Cs) (1차원 구조를 갖는 Thiophoshates, $Al_2NiP_2S_6$ (A=Rb, Cs)의 합성, 구조 및 자기적 성질)

  • Dong, Yong Kwan;Lee, Kun Soo;Yun, Ho Seop;Hur, Nam Hwi
    • Journal of the Korean Chemical Society
    • /
    • v.45 no.3
    • /
    • pp.242-246
    • /
    • 2001
  • The quaternary thiophosphates, $A_2NiP_2S_6$ (A=Rb, Cs), have been synthesized with halide fluxes and structurally characterized by single-crystal X-ray diffraction technique. These compounds crystallize in the space group $C_{2h}^5-P2_1/n$ of the monoclinic system with two formula units in a cell of dimensions a=5.960(2), b=12.323(4), $c=7.491(3)\AA$, $\beta=97.05(3)^{\circ}$, and $V=546.0(3)\AA^3$ for Rb2NiP2S6 and a=5.957(4), b=12.696(7), $c=7.679(4)\AA$, $b=93.60(5)^{\circ}$, and $V=579.7(5)\AA^3$ for $Cs_2NiP_2S_6.$ These compounds are isostructural. The structure of $Cs_2NiP_2S_6$ is made up of one-dimensional $_\infty^1[NiP_2S_6^{2-}]$ chains along the a axis and these chains are isolated by $Cs^+$ ions. The Ni atom is octahedrally coordinated by six S atoms. These Ni$S_6$ octahedral units are linked by sharing three m-S atoms of the $[P_2S_6^{4-}]$ anions to form the infinite one-dimensional $_\infty^1[NiP_2S_6^{2-}]$ chain. For $Cs_2NiP_2S_6$, the magnetic susceptibility reveals an antiferromagnetic exchange interaction below 8K,which corresponds to the Neel temperature ($T_N$). Above $T_N$, this compound obeys Curie-Weiss law. The magnetic moment, C, and ${\theta}forCs_2NiP_2S_6$ are 2.77 B.M., 0.9593 K, and -19.02 K, respectively. The effective magnetic moment obtained from the magnetic data is agreed with the spin-only value of $Ni^{2+}d^8$(2.83 B.M.) system.

  • PDF

Fabrication and the Electrochemical Characteristics of Petroleum Residue-Based Anode Materials (석유계 잔사유 기반 음극재 제조 및 그 전기화학적 특성)

  • Kim, Daesup;Lim, Chaehun;Kim, Seokjin;Lee, Young-Seak
    • Applied Chemistry for Engineering
    • /
    • v.33 no.5
    • /
    • pp.496-501
    • /
    • 2022
  • In this study, an anode material for lithium secondary batteries was manufactured using petroleum-based residual oil, which is a petroleum refining by-product. Among petroleum-based residual oils, pyrolysis fuel oil (PFO), fluidized catalyst cracking-decant oil (FCC-DO), and vacuum residue (VR) were used as carbon precursors. The physicochemical characteristics of petroleum-based residual oil were confirmed through Matrix-assisted laser desorption/ionization Time-of-Flight (MALDI-TOF) and elemental analysis (EA), and the structural characteristics of anode materials manufactured from residual oil were evaluated using X-ray crystallography (XRD) and Raman spectroscopic techniques. VR was found to contain a wide range of molecular weight distributions and large amounts of impurities compared to PFO and FCC-DO, and PFO and FCC-DO exhibited almost similar physicochemical characteristics. From the XRD analysis results, carbonized PFO and FCC-DO showed similar d002 values. However, it was confirmed that FCC-DO had a more developed layered structure than PFO in Lc (Length of a and c axes in the crystal system) and La values. In addition, FCC-DO showed the best cycle characteristics in electrochemical characteristics evaluation. According to the physicochemical and electrochemical results of the petroleum-based residual oil, FCC-DO is a better carbon precursor for a lithium secondary battery than PFO and VR.

Effect of Thermal History on the Physical Properties of Nylon66 (열 이력이 나일론66의 물성에 미치는 영향)

  • Lee, Bom Yi;Jo, Chan Woo;Shim, Chang Up;Lim, Su Jung;Kim, Youn Cheol
    • Applied Chemistry for Engineering
    • /
    • v.25 no.1
    • /
    • pp.90-95
    • /
    • 2014
  • Nylon66 extrudates as a function of the extrusion number were prepared by a twin screw extruder. Chemical structures, thermal properties, melt index, crystal structures, mechanical properties such as the tensile strength, elongation at break and impact strength, and rheological property were measured by FT-IR, $^1H$-NMR, melt indexer, DSC, TGA, XRD, universal tensile tester, Izod impact tester, and rheometer. FT-IR and $^1H$-NMR characterizations indicated that the number of extrusions did not affect the chemical structure. The decrease in the molecular weight was checked by the melt index of extrudates. There were no effects of the thermal history on the melting and degradation temperature. The tensile and impact strength and modulus were found to be similar, regardless of the number of extrusions, but the elongation decreased significantly. The complex viscosity of extrudates at low frequencies decreased with the extrusion number. No structural changes after extrusion were confirmed from the fact that there was no change in the slope and shape of G'-G" plot.

Contribution of a Low-Barrier Hydrogen Bond to Catalysis Is Not Significant in Ketosteroid Isomerase

  • Jang, Do Soo;Choi, Gildon;Cha, Hyung Jin;Shin, Sejeong;Hong, Bee Hak;Lee, Hyeong Ju;Lee, Hee Cheon;Choi, Kwan Yong
    • Molecules and Cells
    • /
    • v.38 no.5
    • /
    • pp.409-415
    • /
    • 2015
  • Low-barrier hydrogen bonds (LBHBs) have been proposed to have important influences on the enormous reaction rate increases achieved by many enzymes. ${\Delta}^5$-3-ketosteroi isomerase (KSI) catalyzes the allylic isomerization of ${\Delta}^5$-3-ketosteroid to its conjugated ${\Delta}^4$-isomers at a rate that approache the diffusion limit. Tyr14, a catalytic residue of KSI, has been hypothesized to form an LBHB with the oxyanion of a dienolate steroid intermediate generated during the catalysis. The unusual chemical shift of a proton at 16.8 ppm in the nuclear magnetic resonance spectrum has been attributed to an LBHB between Tyr14 $O{\eta}$ and C3-O of equilenin an intermediate analogue, in the active site of D38N KSI. This shift in the spectrum was not observed in Y30F/Y55F/D38N and Y30F/Y55F/Y115F/D38N mutant KSIs when each mutant was complexed with equilenin, suggesting that Tyr14 could not form LBHB with the intermediate analogue in these mutant KSIs. The crystal structure of Y30F/Y55F/Y115F/D38N-equilenin complex revealed that the distance between Tyr14 $O{\eta}$ and C3-O of the bound steroi was within a direct hydrogen bond. The conversion of LBHB to an ordinary hydrogen bond in the mutant KSI reduced the binding affinity for the steroid inhibitors by a factor of 8.1-11. In addition, the absence of LBHB reduced the catalytic activity by only a factor of 1.7-2. These results suggest that the amount of stabilization energy of the reaction intermediate provided by LBHB is small compared with that provided by an ordinary hydrogen bond in KSI.