Facile synthesis, ex-vivo and in vitro screening of 3-sulfonamide derivative of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide (SR141716) a potent CB1 receptor antagonist

Facile synthesis of biaryl pyrazole sulfonamide derivative of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide (SR141716, 1) and an investigation of the effect of replacement of the –CO group in the compound 1 by the –SO2 group in the aminopiperidine region is reported. Primary ex-vivo pharmacological testing and in vitro screening of sulfonamide derivative 2 showed the loss of CB1 receptor antagonism.

Micromolar concentration of pentoxifylline improves development in vitro of hamster 8-cell embryos: conrmation of biological viability by embryo transfer

The inßuence of the sperm motility stimulant pentoxifylline (PF) on preimplantation embryo development in hamsters was evaluated. Eight-cell embryos were cultured in hamster embryo culture medium (HECM)-2, with or without PF (0· 0233·6 mM). There was 90%, 37% and 29% inhibition of blastocyst development by 3·6 (used for human sperm), 0·9 and 0 ·45 mM PF, respectively. However, 23 µM PF (exposed to hamster oocytes during IVF) signicantly (P < 0·05) improved blastocyst development (63· 6% v. 51· 8%); morulae development was, however, not curtailed by 0·45 mM or 0·9 mM PF (51·8%±6·0 or 50·5%±11·3, respectively). Post-implantation viability of PF-treated embryos was assessed by embryo transfer; 43% of 80 PF-treated embryos implanted compared with 40% of 79 control embryos. Of the 9 recipients, 6 females delivered pups (19, i.e. 16% of transferred embryos or 53% of implanted embryos). These data show that in hamsters, continuous presence of PF at 0·45-3·6 mM is detrimental to 8-cell embryo development whereas 23 µM PF improves the development of embryos to viable blastocysts which produce live offspring.

5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline

In the title molecule, C20H13N3S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 angstrom and a maximum deviation of 0.090 (2) angstrom from the mean plane for the triazole ring C atom which is bonded to the thiophene ring. The phenyl ring is twisted by 52.0 (1)degrees with respect to the mean plane of the triazoloisoquinoline ring system. The thiophene ring is rotationally disordered by approximately 180 degrees over two sites, the ratio of refined occupancies being 0.73 (1): 0.27 (1).

Investigations of the scaling criteria for a mild combustion burner

In this paper, a new strategy for scaling burners based on "mild combustion" is evolved and adopted to scaling a burner from 3 to a 150 kW burner at a high heat release Late of 5 MW/m(3) Existing scaling methods (constant velocity, constant residence time, and Cole's procedure [Proc. Combust. Inst. 28 (2000) 1297]) are found to be inadequate for mild combustion burners. Constant velocity approach leads to reduced heat release rates at large sizes and constant residence time approach in unacceptable levels of pressure drop across the system. To achieve mild combustion at high heat release rates at all scales, a modified approach with high recirculation is adopted in the present studies. Major geometrical dimensions are scaled as D similar to Q(1/3) with an air injection velocity of similar to 100 m/s (Delta p similar to 600 mm water gauge). Using CFD support, the position of air injection holes is selected to enhance the recirculation rates. The precise role of secondary air is to increase the recirculation rates and burn LIP the residual CO in the downstream. Measurements of temperature and oxidizer concentrations inside 3 kW, 150 kW burner and a jet flame are used to distinguish the combustion process in these burners. The burner can be used for a wide range of fuels from LPG to producer gas as extremes. Up to 8 dB of noise level reduction is observed in comparison to the conventional combustion mode. Exhaust NO emissions below 26 and 3 ppm and temperatures 1710 and 1520 K were measured for LPG and producer gas when the burner is operated at stoichiometry. (c) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Observation of the Ωb- baryon and measurement of the properties of the Ξb- and Ωb- baryons

We report the observation of the bottom, doubly-strange baryon Omega^-_b through the decay chain Omega^-_b -> J/psi Omega^-, where J/psi -> mu^+ mu^-, Omega^- -> Lambda K^-, and Lambda -> p pi^-, using 4.2 fb^{-1} of data from p\bar p collisions at sqrt{s}=1.96 TeV, and recorded with the Collider Detector at Fermilab. A signal is observed whose probability of arising from a background fluctuation is 4.0 * 10^{-8}, or 5.5 Gaussian standard deviations. The Omega^-_b mass is measured to be 6054.4 +/- 6.8 (stat.) +/- 0.9 (syst.) MeV/c^2. The lifetime of the Omega^-_b baryon is measured to be 1.13^{+0.53}_{-0.40}(stat.) +/- 0.02(syst.)$ ps. In addition, for the \Xi^-_b baryon we measure a mass of 5790.9 +/- 2.6(stat.) +/- 0.8(syst.) MeV/c^2 and a lifetime of 1.56^{+0.27}_{-0.25}(stat.) +/-0.02(syst.) ps. Under the assumption that the \Xi_b^- and \Omega_b^- are produced with similar kinematic distributions to the \Lambda^0_b baryon, we find sigma(Xi_b^-) B(Xi_b^- -> J/psi Xi^-)}/ sigma(Lambda^0_b) B(Lambda^0_b -> J/psi Lambda)} = 0.167^{+0.037}_{-0.025}(stat.) +/-0.012(syst.) and sigma(Omega_b^-) B(Omega_b^- -> J/psi Omega^-)/ sigma(Lambda^0_b) B(Lambda^0_b -> J/psi Lambda)} = 0.045^{+0.017}_{-0.012}(stat.) +/- 0.004(syst.) for baryons produced with transverse momentum in the range of 6-20 GeV/c.

Enantiospecific total synthesis of aciphyllene

Enantiospecific total synthesis of the sesquiterpene aciphyllene and its three epimers have been described starting from the readily available monoterpene (R)-limonene employing an intramolecular type II carbonyl ene reaction as the key step. (C) 2010 Elsevier Ltd. All rights reserved.

Thermodynamic Properties of Niobium Oxides

Thermodynamic properties of three oxides of niobium have been measured using solid state electrochemical cells incorporating yttria-doped thoria (YDT) as the electrolyte in the temperature range T = (1000 to 1300) K. The standard Gibbs energies of formation of NbO, NbO2, and NbO2.422 from the elements can be expressed as: Delta(f)G(NbO)(o) +/- 547/J . mol(-1) = -414 986 + 86.861(T/K) Delta(f)G(NbO2)(o) +/- 548/J . mol(-1) = -779 864 + 164.438(T/K) Delta(f)G(NbO2.422)(o) +/- 775/J . mol(-1) = -911 045 + 197.932(T/K) The results are discussed in comparison with thermodynamic data reported in the literature. The new results refine data for NbO and NbO2 presented in standard data compilations. There are no data in thermodynamic compilations for NbO2.422 (Nb12O29). In the absence of the heat capacity and enthalpy of formation measurements, only the Gibbs energy of formation of NbO2.422 can be assessed. The free energy of formation of stoichiometric Nb2O5 is evaluated on the basis of measurements on NbO2.422 and information available in the literature on phase boundary compositions and isothermal variation of nonstoichiometric parameter with oxygen potential for Nb2O5-x. The results suggest a minor revision of data for Nb2O5. A minimum in the Gibbs energy of mixing for the system Nb-O occurs in the nonstoichiometric domain of Nb2O5-x with x = 0.036.

X-ray studies on crystalline complexes involving amino acids and peptides. XXV. Structures of DL-proline hemisuccinic acid and glycyl-L-histidinium semisuccinate monohydrate and a comparative study of amino-acid and peptide complexes of succinic acid

DL-Proline hemisuccinic acid, C5H9NO2.1/2C4H6O4, M(r) = 174.2, P2(1/c) a = 5.254 (1), b = 17.480 (1), c = 10.230 (i) angstrom, beta = 119.60 (6)-degrees Z = 4, D(m) = 1.41 (4), D(x) = 1.42 g cm-3, R = 0.045 for 973 observed reflections. Glycyl-L-histidinium semisuccinate monohydrate, C8H13N4O3+.C4H5O4-.H2O, M(r) = 348.4, P2(1), a = 4.864 (1), b = 17.071 (2), c = 9.397 (1) angstrom, beta = 90.58-degrees, Z = 2, D(m) = 1.45 (1), D(x) = 1.48 g cm-3, R = 0.027 for 1610 observed reflections. Normal amino-acid and dipeptide aggregation patterns are preserved in the structures in spite of the presence of succinic acid/semisuccinate ions. In both the structures, the amino-acid/dipeptide layers stack in such a way that the succinic acid molecules/semisuccinate ions are enclosed in voids created during stacking. Substantial variability in the ionization state and the stoichiometry is observed in amino-acid and peptide complexes of succinic acid. Succinic acid molecules and succinate ions appear to prefer a planar centro-symmetric conformation with the two carboxyl (carboxylate) groups trans with respect to the central C=C bond. Considerable variation is seen in the departure from and modification of normal amino-acid aggregation patterns produced by the presence of succinic acid. Some of the complexes can be described as inclusion compounds with the amino acid/dipeptide as the 'host' and succinic acid/semisuccinate/succinate as the 'guest'. The effects of change in chirality, though very substantial, are not the same in different pairs of complexes involving DL and L isomers of the same amino acid.

Texture evolution in commercially pure titanium after warm equal channel angular extrusion

Texture development in commercially pure titanium during equal channel angular extrusion (ECAE) through Routes A, Be and C has been studied up to three passes at 400 C. Textures were measured using X-ray diffraction, while the microstructural analyses were performed using electron back-scattered diffraction as well as transmission electron microscopy. Occurrences of dynamic restoration processes (recovery and recrystallization) were clearly noticed at all levels of deformations. Finally, the textures were simulated using a viscoplastic polycrystal self-consistent (VPSC) model. Simulations were performed incorporating basal, prismatic and pyramidal slip systems as well as tensile and compressive twinning. The simulated textures corroborate well with experimental textures in spite of the occurrence of dynamic restoration processes. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Cavitation in holographic sQGP

We study the possibility of cavitation in the non-conformal N = 2* SU(N) theory which is a mass deformation of N = 4 SU(N) Yang-Mills theory. The second order transport coefficients are known from the numerical work using AdS/CFT by Buchel and collaborators. Using these and the approach of Rajagopal and Tripuraneni, we investigate the flow equations in a (1 + 1)-dimensional boost invariant set up. We find that the string theory model does not exhibit cavitation before phase transition is reached. We give a semi-analytic explanation of this finding. (C) 2011 Elsevier B.V. All rights reserved.

Conformational studies of the phosphazenyl side chain in cyclophosphazenes. Part 3. Crystal and molecular structure of N3P3Cl4(NEt2)(NPPh3)

The crystal structure of N3P3Cl4(NEt2)(NPPh3) has been determined. The crystals are orthorhombic, space group Pbca, with a= 8.208(1), b= 21.890(1), c= 31.722(2)Å, Z= 8, and m.p. = 146.5 °C. The structure was solved by direct methods and refined to a final R value of 0.045 for 2 025 independent reflections. The analysis reveals significant variations in the ring P–N bond lengths. The two nitrogenous substituents, NPPh3 and NEt2, reside on the same phosphorus atom. The latter, NEt2, has an almost exact type II conformation (the plane NC2 almost perpendicular to the local NPN plane)(the first observed for a dialkylamino-group in cyclophosphazenes), the former, NPPh3, deviates from type II towards type III (in type III the plane Pring–N–Pexo makes an angle of ca. 45° with the local N–P–N ring plane). The present structure is compared with others of triphenylphosphazenyl-cyclophosphazenes and the conformation of the NPPh3 substituent and its electron supply in the ground and perturbed states are discussed.

Phase relations in the Fe Ni Cr S system and the sulfidation of an austenitic stainless steel

The stability fields of various sulfide phases that form on Fe-Cr, Fe-Ni, Ni-Cr, and Fe-Cr-Ni alloys have been developed as a function of temperature and the partial pressure of sulfur. The calculated stability fields in the ternary A-B-S system are displayed on plots of log \textpS2 pS2 vs. the conjugate extensive variable (nA/nA–nB), which provides a better framework for following the sulfidation of Fe-Cr-Ni alloys at high temperatures. Experimental and estimated thermodynamic data were used in developing the sulfur potential diagrams. Current models and correlations were employed to estimate the unknown thermodynamic behavior of solid solutions of sulfides and to supplement the incomplete phase-diagram data of geophysical literature. These constructed stability field diagrams are in excellent agreement with the sulfide phases and compositions determined experimentally during the sulfidation of SAE 310 stainless steel. The sulfur potential plots appear to be very useful in predicting and correlating the sulfidation of commercial alloys.

Temperature dependent photoemission spectroscopy on lightly-doped sodium tungsten bronze

Temperature dependent photoemission studies on lightly doped (x = 0.025) sodium tungsten bronzes, NaxWO3 have been investigated by high-resolution photoemission spectroscopy. The experimental results show evidence for polaron formation at the valence band edge and the photoemission spectra taken in different modes of the electron analyzer suggest that the density of states at the valence band edge gradually moves to other k-points in the Brillouin zone with increasing temperature and explain the dynamics of polarons in the insulating disordered sodium tungsten bronzes. (C) 2012 Elsevier Ltd. All rights reserved.

Synthetic studies toward geranylated PPAP natural products oblongifolin A, oblongifolin D, and enervosanone

A concise approach of general utility toward mono- and di-geranylated PPAP frameworks employing `reconstructive aldol cyclization' as the key step is delineated. (C) 2012 Elsevier Ltd. All rights reserved.

A model for growth and engulfment of gas microporosity during aluminum alloy solidification process

A new coupled approach is presented for modeling the hydrogen bubble evolution and engulfment during an aluminum alloy solidification process in a micro-scale domain. An explicit enthalpy scheme is used to model the solidification process which is coupled with a level-set method for tracking the hydrogen bubble evolution. The volume averaging techniques are used to model mass, momentum, energy and species conservation equations in the chosen micro-scale domain. The interaction between the solid, liquid and gas interfaces in the system have been studied. Using an order-of-magnitude study on growth rates of bubble and solid interfaces, a criterion is developed to predict bubble elongation which can occur during the engulfment phase. Using this model, we provide further evidence in support of a conceptual thought experiment reported in literature, with regard to estimation of final pore shape as a function of typical casting cooling rates. The results from the proposed model are qualitatively compared with in situ experimental observations reported in literature. The ability of the model to predict growth and movement of a hydrogen bubble and its subsequent engulfment by a solidifying front has been demonstrated for varying average cooling rates encountered in typical sand, permanent mold, and various casting processes. (C) 2012 Elsevier B.V. All rights reserved.