Interactions of thiamine monophosphate (TMP) with one- and two-dimensional polymeric halogenomercurate anions. Crystal structures of (TMP)(Hg2Br5)center dot 0.5H(2)O and (TMP)(2)(Hg3I8)

An investigation into the interactions between thiamine monophosphate (TMP) and anions has resulted in the preparation and X-ray characterization of the compounds (TMP)(Hg2Br5).0.5H(2)O (1) and (TMP)(2)(Hg3I8) (2). In each compound the TMP molecule exists as a monovalent cation in the usual F conformation. The halogenomercurate anions occur in two-dimensional (2-D) network in 1 or one-dimensional (1-D) chain in 2. In both 1 and 2, the structures consist of alternating cationic sheets of the hydrogen-bonded TMP molecules and anionic sheets of the polymeric halogenomercurate anions. The TMP molecule binds to the polymeric anions through the characteristic 'anion bridge I', C(2)-H..X...pyrimidinium (X = Br in 1 and 1 in 2), and electrostatic interactions between electropositive S(1) and halogen atoms. The 'anion bridge II' of the type N(4'1)-H...X...thiazolium (X = phosphate group) plays a role in stabilizing the molecular conformation. The biological implication of the host-guest-like complexation between TMP and polymeric anions is discussed.

NMR and FT-Raman studies on the interaction of lanthanide ions with sphingomyelin bilayers

The interactions of lanthanide ions with sphingomyelin bilayers have been studied by using 2D NOESY spectroscopy and FT-Raman spectroscopy methods. The results indicate that lanthanide ions, as well as divalent calcium, combine mainly to the phosphate group in the polar headgroup and do not change the conformation of O-C-C-N+ backbone in the choline group of sphingomyelin bilayers. The polar headgroup is still extending parallel to the bilayer surface and O-C-C-N+ group is still in its gauche conformer.

FT-RAMAN SPECTROSCOPIC STUDIES ON THE INTERACTION OF METAL-IONS WITH SPHINGOMYELIN BILAYER

The interaction of trivalent lanthanide ions and divalent calcium ions with sphingomyelin bilayer has been studied by FT-Raman spectroscopy. The results showed that the bonding of metal ions to the phosphate group of sphingomyelin bilayer, either La3+ or Ca2+, did not change the conformation of the choline group, that is, O-C-C-N+ is still in its gauche conformation. The presence of metal ions changed the states of the interfacial region from liquid-like to amorphous state and even to crystalline. They increased the fluidity of acyl chains of sphingomyelin bilayer and made them packed disorderly.

DNA sequence analysis of the triose phosphate isomerase gene from isolates of Giardia lamblia

Objective To confirm the genetic relation between Giardia lamblia (G. lamblia) isolates from different geographic regions of China and other countries. Methods Genomic DNA were extracted from the trophozoites or cysts of Giardia lamblia. The triose phosphate isomerase (tim) gene was amplified using polymerase chain reaction (PCR) technique. PCR products were digested with endonuclease and sequenced. The data of sequencing were analyzed with the DNAstar software and compared with that of the isolates acquired from GenBank. Results Of nine isolates of Giardia lamblia from China (C1, C2, CH2 and CH3), Cambodia (CAM), Australia (A1 and A2) and America (BP and CDC), respectively, 3 (A1, A2 and CAM) fit into Group 1 (WB), 2 (CH2 and CH3) into Group 2, and 4 (C1, C2, BP and CDC) into Group 3 (GS). The results confirmed the genetic relatedness of G. lamblia isolates from all over the world. Conclusion Genotyping isolates of G. Lamblia provides important information for establishing the phylogenetic relationship or for the epidemiological evaluation of the spreading of this organism.

Use of atomic force microscopy for imaging the initial stage of the nucleation of calcium phosphate in Langmuir-Blodgett films of stearic acid

The nucleation of calcium phosphate on the substrate of steatic acid Langmuir-blodgett film at the initial stage was investigated by atomic force microscopy. Nano-dots, nano-wires and nano-islands were observed in sequence for the first time, reflecting the nucleation of calcium phosphate and the molecular arrangement of carboxylic layer. The nucleation rates perpendicular and parallel to the carboxylic terminal group were estimated from the height and diameter of the calcium phosphate crystals, respectively. And this stage was distinct from the late explosive grown stage, in which the change of the morphology was not obvious. The approaches based on this discovery would lead to the development of new strategies in the controlled synthesis of inorganic nano-phases and the assembly of organized composite and ceramic materials.

A two-dimensional molybdenum (V) phosphate with covalently bonded transition metal coordination complexes: hydrothermal synthesis and structure characterization of Na-2[{Mn(phen)(2)(H2O)}{Mn(phen)(2)}(3){Mn (Mo12O24)-O-V (HPO4)(6)(PO4)(2)(OH)(6)}] center dot 4H(2)O (phen=1,10-phenanthroline)

An organic-inorganic hybrid molybdenum phosphate, Na-2[{Mn(phen)(2)(H2O)} {Mn(phen)(2)}(3){(MnMo12O24)-O-v (HPO4)(6)(PO4)(2) (OH)(6)}] . 4H(2)O (phen=1,10-phenanthroline), involving molybdenum present in V oxidation state and covalently bonded transition metal coordination complexes, has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. Deep brown-red crystals are formed in the triclinic system, space group P (1) over bar, a=16.581(l)Angstrom, b=18.354(1)Angstrom, c=24.485(2)Angstrom, alpha=80.589(l)degrees, beta=71.279(1)degrees, gamma=67.084(1)degrees, V=6493.8(8)Angstrom(3), Z=2, lambda(MoKalpha)=0.71073Angstrom (R(F)=0.0686 for 29,053 reflections). Data were collected on a Bruker Smart Apex CCD diffractometer at 293 K in the range of 1.76 < theta < 28.06degrees using omega-2theta scans technique. The structure of the title compound may be considered to be based on {Mo6O12(HPO4)(3)(PO4)(OH)(3)} units bonded together with {Mn(phen)(2)} subunits into a two-dimensional network. Two types of tunnels are observed in the solid of the title compound.

A chromic molybdenum phosphate with a tunnel structure: hydrothermal synthesis and structure of (NH3CH2CH2NH3)(2) center dot (NH3CH2CH2NH2)(3)center dot[NaCr2Mo12O30(PO4)(HPO4)(4)(H2PO4)(3)]center dot 6H(2)O

A chromic molybdenum phosphate, (NH3CH2CH2NH3)(2).(NH3CH2CH2NH2)(3).[NaCr2Mo12O30(PO4)(HPO4)(3)]. 6H(2)O, involving molybdenum present in V oxidation, has been hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction and IR spectrum. Deep brown-red crystals are formed in the triclinic system, space group P (1) over bar, a = 12.067(2), b = 14.677(3), c = 21.290(2) Angstrom, alpha = 80.940(10)degrees, beta = 82.960(10)degrees, gamma = 76.61(2)degrees. The structure of the title compound may be considered to be two [Mo6O15(HPO4)(H2PO4)(3)](5-) units bonded to a chromic atom, although several P-O groups are not protonated on account of coordination with a Na+ cation. The one-dimensional tunnels were formed in the solid of the title compound. (C) 2000 Elsevier Science B.V. All rights reserved.

A nickel molybdenum phosphate with tunnel: Hydrothermal synthesis and structure of (NH3CH2CH2NH3)(4)center dot(NH3CH2CH2NH2)center dot Na center dot[Ni2Mo12O30(PO4)(HPO4)(4)(H2PO4)(3)]center dot 6H(2)O

A nickel molybdenum phosphate, (NH3CH2CH2NH3)(4).(NH3CH2CH2NH2). Na .[Ni2Mo12O30(PO4)(HPO4)(4)(H2PO4)(3)]. 6H(2)O, invoicing molybdenum present in V oxidation, has been hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction. Deep brown-red crystals are formed in the triclinic system, space group P (1) over bar, a = 12,011(2), b = 14,612(3), c = 21.252(4) Angstrom, alpha = 80.54(2)degrees, beta = 83.10(2)degrees, gamma = 76.29(2)degrees, V = 3561.4(12) Angstrom(3), Z = 2, lambda(MoK alpha) = 0.71073 Angstrom (R(F) = 0.0529 for 9880 reflections), Data mere collected on a Siemens P4 diffractometer at 20 degrees C in the range of 1.75 degrees < theta < 23.02 degrees using the omega-scan technique. The structure was solved by direct methods using the program SHELXTL-93 and refined with the method of fun-matrix least-squares on F-2. The structure of the title compound may be considered to be two [Mo6O15(HPO4)(H2PO4)(3)](5-) units bonded together with a nickel atom, although several P-O groups are not protonated on account of coordination with a Na+ cation, The one-dimensional tunnels were formed in the solid of the title compound. A probe reaction of the oxidation of acetaldehyde with H2O2 using the title compound as catalyst was carried out in a liquid- solid system, showing that the title compound had high catalytic activity in the reaction, (C) 1999 Academic Press.

A new phosphate, KMgY(PO4)(2), isostructural with xenotime

A new phosphate, KMgY(PO4)(2), isostructural with xenotime, was firstly reported in detail. It crystallizes in tetragonal system with space group I4(1)/amd (No. 141). The cell parameters were obtained from X-ray powder diffraction data with a=0.6886, c=0.6025 nm, 2=2. The proposed structure of KMgY(PO4)(2) was further confirmed by its vibrational spectra, IR and Raman spectra, which were also compared with those of iso-structural YPO4.

OPTICAL AND STRUCTURAL INVESTIGATION OF KMGLA(PO4)(2) PHOSPHATE DOPED WITH EUROPIUM

A new compound KMgLa(PO4)(2), isotypic with monoclinic LaPO4, is reported. Its cell parameters have been determined from X-ray powder diffraction data. Crystallization occurs in the monoclinic space group P2(1)/n (No. 14) with a = 6.839(3) Angstrom, b = 7.066(1) Angstrom, c = 6.523(3) Angstrom, beta = 103.42(4)degrees, and Z = 2. It was found that the KMgLa(PO4)(2) phase was isostructural with monoclinic LaPO4. The difference between them was that half of the La atoms in LaPO4 were couplingly substituted with the same amount of Mg and K atoms. This isomorphous substitution was confirmed by IR and Eu3+-doped excitation and emission spectra and by elemental analysis of single crystals. The spectroscopic data were compared with those of LaPO4:Eu3+. (C) 1995 Academic Press, Inc.

Fourth order accurate compact scheme with group velocity control (GVC)

For solving complex flow field with multi-scale structure higher order accurate schemes are preferred. Among high order schemes the compact schemes have higher resolving efficiency. When the compact and upwind compact schemes are used to solve aerodynamic problems there are numerical oscillations near the shocks. The reason of oscillation production is because of non-uniform group velocity of wave packets in numerical solutions. For improvement of resolution of the shock a parameter function is introduced in compact scheme to control the group velocity. The newly developed method is simple. It has higher accuracy and less stencil of grid points.

Scheme Construction with Numerical Flux Residual Correction (NFRC) and Group Velocity Control (GVC)

For simulating multi-scale complex flow fields like turbulent flows, the high order accurate schemes are preferred. In this paper, a scheme construction with numerical flux residual correction (NFRC) is presented. Any order accurate difference approximation can be obtained with the NFRC. To improve the resolution of the shock, the constructed schemes are modified with group velocity control (GVC) and weighted group velocity control (WGVC). The method of scheme construction is simple, and it is used to solve practical problems.

Optimized Group Velocity Control Scheme and DNS of Decaying Compressible Turbulence of Relative High Turbulent Mach Number

To overcome the difficulty in the DNS of compressible turbulence at high turbulent Mach number, a new difference scheme called GVC8 is developed. We have succeeded in the direct numerical simulation of decaying compressible turbulence up to turbulent Mach number 0.95. The statistical quantities thus obtained at lower turbulent Mach number agree well with those from previous authors with the same initial conditions, but they are limited to simulate at lower turbulent Mach numbers due to the so-called start-up problem. The energy spectrum and coherent structure of compressible turbulent flow are analysed. The scaling law of compressible turbulence is studied. The computed results indicate that the extended self-similarity holds in decaying compressible turbulence despite the occurrence of shocklets, and compressibility has little effects on relative scaling exponents when turbulent Mach number is not very high.

Derivation Of A Nonlinear Reynolds Stress Model Using Renormalization Group Analysis And Two-Scale Expansion Technique

Adopting Yoshizawa's two-scale expansion technique, the fluctuating field is expanded around the isotropic field. The renormalization group method is applied for calculating the covariance of the fluctuating field at the lower order expansion. A nonlinear Reynolds stress model is derived and the turbulent constants inside are evaluated analytically. Compared with the two-scale direct interaction approximation analysis for turbulent shear flows proposed by Yoshizawa, the calculation is much more simple. The analytical model presented here is close to the Speziale model, which is widely applied in the numerical simulations for the complex turbulent flows.

The vector fields admitting one-parameter spatial symmetry group and their reduction

For a n-dimensional vector fields preserving some n-form, the following conclusion is reached by the method of Lie group. That is, if it admits an one-parameter, n-form preserving symmetry group, a transformation independent of the vector field is constructed explicitly, which can reduce not only dimesion of the vector field by one, but also make the reduced vector field preserve the corresponding ( n - 1)-form. In partic ular, while n = 3, an important result can be directly got which is given by Me,ie and Wiggins in 1994.