Synthesis, structure and magnetic behavior of a new three-dimensional Manganese phosphite-oxalate: [C2N2H10][Mn-2(II)(OH2)(2)(HPO3)(2)(C2O4)]

A novel manganese phosphite-oxalate, [C2N2H10][Mn-2(II)(OH2)(2)(HPO3)(2)(C2O4)] has been hydothermally synthesized and its structure determined by single-crystal X-ray diffraction. The structure consists of neutral manganese phosphite layers, [Mn(HPO3)](infinity), formed by MnO6 octahedra and HPO3 units, cross-linked by the oxalate moieties. The organic cations occupy the middle of the 8-membered one dimensional channels. Magnetic studies indicate weak antiferromagnetic interactions between the Mn2+ ions. (C) 2009 Elsevier Inc. All rights reserved.

Two- and Three-Dimensional Open-Framework Uranium Arsenates: Synthesis, Structure, and Characterization

Hydrothermal reactions between uranium salts and arsenic pentoxide in the presence of two different amines yielded six new uranium arsenate phases exhibiting open-framework structures, ethylenediamine (en): [C2N2H9]-[(UO2)(ASO(4))] I; [C2N2H10][(UO2)F(HASO(4))]2 center dot 4H(2)O, II; [C2N2H9][U2F5(HASO(4))(2)], III; [C2N2H9][UF2(ASO(4))], IV; diethylenetriamine (DETA), [C4N3H16][U2F3(ASO(4))(2)(HAsO4)] V; and [C4N3H16][U2F6(AsO4)(HAsO4)], VI. The structures were determined using single crystal studies, which revealed two- (I, II, V) and three-dimensional (III, IV, VI) structures for the uranium arsenates. The uranium atom, in these compounds, exhibits considerable variations in the coordination (6 to 9) that appears to have some correlation with the synthetic conditions. The water molecules in [C2N2H10][(UO2)F(HAsO4)](2 center dot)4H(2)O, II, could be reversibly removed, and the dehydrated phase, [C2N2H10][(UO2)F(HAsO4)](2), IIa, was also characterized using single crystal studies. The observation of many mineralogical structures in the present compounds suggests that the hydrothermal method could successfully replicate the geothermal conditions. As part of this study, we have observed autunite, Ca[(UO2)(PO4)](2)(H2O)(11), metavauxite, [Fe(H2O)(6)][Al(OH)(H2O)(PO4)](2), finarite, PbCU(SO4)(OH)(2), and tancoite, LiNa2H[Al(PO4)(2)(OH)], structures. The repeated observation of the secondary building unit, SBU-4, in many of the uranium arsenate structures suggests that these are viable building units. Optical studies on the uranium arsenate compound, [C4N3H16][U2F6(AsO4)(HASO(4))), VI, containing uranium in the +4 oxidation state indicates a blue emission through an upconversion process. The compound also exhibits antiferromagnetic behavior.

Three-dimensional hybrid networks based on aspartic acid

Three-dimensional achiral coordination polymers of the general formula M2(D, l-NHCH (COO)CH2COO)2·C4H4N2 where M = Ni and Co and pyrazine acts as the linker molecule have been prepared under hydrothermal conditions starting with [M(L-NHCH(COO)CH2COO)·3H2O] possessing a helical chain structure. A three-dimensional hybrid compound of the formula Pb2.5[N{CH(COO) CH2COO}22H2O] has also been prepared hydrothermally starting with aspartic acid and Pb(NO3)2. In this lead compound, where a secondary amine formed by the dimerisation of aspartic acid acts as the ligand, there is two-dimensional inorganic connectivity and one-dimensional organic connectivity.

Conformationally restricted formyl methionyl tripeptide chemoattractants: a three-dimensional structure-activity study of analogs incorporating a C alpha,alpha-dialkylated glycine at position 2

The conformationally restricted CHO-L-Met-Xxx-L-Phe-OY (where Xxx = Aib, Ac3c, Ac5c, Ac6c, and Ac7c; Y = H, Me) tripeptides, analogs of the chemoattractant CHO-L-Met-L-Leu-L-Phe-OH, have been synthesized in solution by classical methods and fully characterized. Compounds were compared to determine the combined effect of backbone conformational preferences and side-chain bulkiness on the relation of three-dimensional structure to biological activity. Each peptide was tested for its ability to induce granule enzyme secretion from rabbit peritoneal polymorphonuclear leukocytes. In parallel, a conformational analysis on the CHO-blocked peptide and their tertbutyloxycarbonylated synthetic precursors was performed in the crystal state and in solution using X-ray diffraction, infrared absorption, and 1H nuclear magnetic resonance. The biological and conformational data are discussed in relation to the proposed model of the chemotactic peptide receptor of rabbit neutrophils.

Analysis of continuous beams—a three dimensional elasticity solution

A three dimensional elasticity solution for the analysis of beams continuous over an infinite number of equally spaced supports has been given. The beam has been subjected to normal tractions on its two opposite faces and these loads are identical over each span. The other two faces are traction free. Numerical results have been given for different cases when the beam is loaded on its bottom face. The results obtained have been compared with the results of two dimensional elasticity solution.

A three-dimensional solution for plates and laminates

A general three-dimensional solution is presented for statics and dynamics of plates, homogeneous or laminated, of orthotropic materials. The solution is in series form. Using parts of the general solution a variety of problems, especially of rectangular configurations, can be solved. As Mindlin's approximate analysis for vibration of thick plates is often adequate for specific practical purposes, a general solution for Mindlin's analysis is also given.

Three-Dimensional simulation of deformation fields underneath vickers indenter:Effects of power-law Plasticity

The effects of power-law plasticity (yield strength and strain hardening exponent) on the plastic strain distribution underneath a Vickers indenter was systematically investigated by recourse to three-dimensional finite element analysis, motivated by the experimental macro-and micro-indentation on heat-treated Al-Zn-Mg alloy. For meaningful comparison between simulated and experimental results, the experimental heat treatment was carefully designed such that Al alloy achieve similar yield strength with different strain hardening exponent, and vice versa. On the other hand, full 3D simulation of Vickers indentation was conducted to capture subsurface strain distribution. Subtle differences and similarities were discussed based on the strain field shape, size and magnitude for the isolated effect of yield strength and strain hardening exponent.

Topology design of three-dimensional structures using hybrid finite elements

Conventional three-dimensional isoparametric elements are susceptible to problems of locking when used to model plate/shell geometries or when the meshes are distorted etc. Hybrid elements that are based on a two-field variational formulation are immune to most of these problems, and hence can be used to efficiently model both "chunky" three-dimensional and plate/shell type structures. Thus, only one type of element can be used to model "all" types of structures, and also allows us to use a standard dual algorithm for carrying out the topology optimization of the structure. We also address the issue of manufacturability of the designs.

Three-Dimensional Unsteady Flow With Heat and Mass Transfer Over a Continuous Stretching Surface

A numerical solution of the unsteady boundary layer equations under similarity assumptions is obtained. The solution represents the three-dimensional unsteady fluid motion caused by the time-dependent stretching of a flat boundary. It has been shown that a self-similar solution exists when either the rate of stretching is decreasing with time or it is constant. Three different numerical techniques are applied and a comparison is made among them as well as with earlier results. Analysis is made for various situations like deceleration in stretching of the boundary, mass transfer at the surface, saddle and nodal point flows, and the effect of a magnetic field. Both the constant temperature and constant heat flux conditions at the wall have been studied.

Second-order boundary-layer effects for the unsteady laminar incompressible three-dimensional stagnation-point flow

All the second-order boundary-layer effects on the unsteady laminar incompressible flow at the stagnation-point of a three-dimensional body for both nodal and saddle point regions have been studied. It has been assumed that the free-stream velocity, wall temperature and mass transfer vary arbitrarily with time. The effect of the Prandtl number has been taken into account. The partial differential equations governing the flow have been derived for the first time and then solved numerically unsteady free-stream velocity distributions, the nature of the using an implicit finite-difference scheme. It is found that the stagnation point and the mass transfer strongly affect the skin friction and heat transfer whereas the effects of the Prandtl number and the variation of the wall temperature with time are only on the heat transfer. The skin friction due to the combined effects of first- and second-order boundary layers is less than the skin friction due to, the first-order boundary layers whereas the heat transfer has the opposite behaviour. Suction increases the skin friction and heat transfer but injection does the opposite

Laminar compressible boundary layer flow at a three-dimensional stagnation point with vectored mass transfer

The effect of surface mass transfer velocities having normal, principal and transverse direction components (�vectored� suction and injection) on the steady, laminar, compressible boundary layer at a three-dimensional stagnation point has been investigated both for nodal and saddle points of attachment. The similarity solutions of the boundary layer equations were obtained numerically by the method of parametric differentiation. The principal and transverse direction surface mass transfer velocities significantly affect the skin friction (both in the principal and transverse directions) and the heat transfer. Also the inadequacy of assuming a linear viscosity-temperature relation at low-wall temperatures is shown.

Unsteady three-dimensional boundary layer flow over a flat plate with attached cylinder

The unsteady laminar incompressible three-dimensional boundary layer flow and heat transfer on a flat plate with an attached cylinder have been studied when the free stream velocity components and wall temperature vary inversely as linear and quadratic functions of time, respectively. The governing semisimilar partial differential equations with three independent variables have been solved numerically using a quasilinear finite-difference scheme. The results indicate that the skin friction increases with parameter ? which characterizes the unsteadiness in the free stream velocity and the streamwise distance Image , but the heat transfer decreases. However, the skin friction and heat transfer are found to change little along Image . The effect of the Prandtl number on the heat transfer is found to be more pronounced when ? is small, whereas the effect of the dissipation parameter is more pronounced when ? is comparatively large.

Synthesis, Structure and Optical Studies of a Family of Three-Dimensional Rare-Earth Aminoisophthalates M(mu(2)-OH)(C8H5NO4)] (M = Y3+, La3+, Pr3+, Nd3+, Sm3+, Eu3+, Gd3+, Dy3+, and Er3+)

A hydrothermal reaction of the acetate salts of the rare-earths, 5-aminoisophthalic acid (H(2)AIP), and NaOH at 150 degrees C for 3 days gave rise to a new family of three-dimensional rare-earth aminoisophthalates, M(mu(2)-OH)(C8H5NO4)] M = Y3+ (I), La3+ (II), Pr3+ (III), Nd3+ (IV), Sm3+ (V), Eu3+ (VI), Gd3+ (VII), Dy3+ (VIII), and Er3+ (IX)]. The structures contain M-O(H)-M chains connected by AIP anions. The AIP ions are connected to five metal centers and each metal center is connected with five AIP anions giving rise to a unique (5,5) net. To the best of our knowledge, this is the first observation of a (5,5) net in metal-organic frameworks that involve rare-earth elements. The doping of Eu3+/(3+) ions in place of Y3+/ La3+ in the parent structures gave rise to characteristic metal-centered emission (red = Eu3+, green = Tb3+). Life-time studies indicated that the excited emission states in the case of Eu3+ (4 mol-% doped) are in the range 0.287-0.490 ms and for Tb3+ (4 mol-% doped) are in the range of 1.265-1.702 ms. The Nd3+-containing compound exhibits up-conversion behavior based on two-photon absorption when excited using lambda = 580 nm.