Efficient microwave-assisted synthesis of 1-(1H-indol-1-yl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-2-ols as antifungal agents

New conazole antifungals, in the series of triazole alcohols 23a-d and 24a-e incorporating an indole moiety substituted at 5-position by halogens, a cyano or 4-methoxyphenyl group, have been synthesized by ring opening of corresponding oxiranes 15 and 16. These dihalogeno intermediates and their congeneers could be prepared in high yields by Corey-Chaykovsky reaction under microwave irradiation.     

A complexomic study of Escherichia coli using two-dimensional blue native/SDS polyacrylamide gel electrophoresis

Study of the complexome - all the protein complexes of the cell - is essential for a better understanding and more global vision of cell function. Using two-dimensional blue native/SDS-PAGE (2-D BN/SDS-PAGE) technology, the cytosolic and membrane protein complexes of Escherichia coli were separated. Then, the different partners of each protein complex were identified by LC-MS/MS. In this report, 306 protein complexes were separated and identified. Among these protein complexes, 50 heteromultimeric and 256 homomultimeric protein complexes were found. Among the 50 heteromultimeric protein complexes, 18 previously described protein complexes validate the technology. In this study, 109 new protein complexes were found, providing insight into the function of previously uncharacterized bacterial proteins.     

A chiral Ag-based catalyst for practical, efficient, and highly enantioselective additions of enolsilanes to alpha-ketoesters

A Ag-based chiral catalyst promotes efficient and highly enantioselective aldol additions of ketone-derived enolsilanes to alpha-ketoesters in the presence of a readily available amino acid-based ligand and commercially available AgF2. alpha-Ketoester substrates may bear alkyl, alkenyl, and aryl substituents; reactions proceed to >98% conversion to afford the desired tertiary alcohols in 61->98% isolated yield and 60-96% ee. In contrast to previously reported approaches, highest enantioselectivities are observed with sterically demanding substrates, and reactions can be carried out in undistilled solvent, in air with as little as 1 mol % catalyst.     

Synthesis and characterization of octa- and hexanuclear polyoxomolybdate wheels: role of the inorganic template and of the counterion

Eight new compounds based on [O3PCH2PO3]4- ligands and {MoV2O4} dimeric units have been synthesized and structurally characterized. Octanuclear wheels encapsulating various guests have been isolated with different counterions. With NH4+, a single wheel was obtained, as expected, with the planar CO32- guest, (NH4)12[(MoV2O4)4(O3PCH2PO3)4(CO3)2].24H2O (1a), while with the pyramidal SO32- guest, only the syn isomer (NH4)12[(MoV2O4)4(O3PCH2PO3)4(SO3)2].26H2O (2a) was characterized. The corresponding anti isomer was obtained with Na+ as counterions, Na12[(MoV2O4)4(O3PCH2PO3)4(SO3)2]39H2O (2b), and with mixed Na+ and NH4(+) counterions, Na+(NH4)11[(MoV2O4)4(O3PCH2PO3)4(SO3)2].13H2O (2d). With [O3PCH2PO3]4- extra ligands, the octanuclear wheel Li12(NH4)2[(MoV2O4)4(O3PCH2PO3)4(HO3PCH2PO3)2].31H2O (4a) was isolated with Li+ and NH4+ counterions and Li14[(MoV2O4)4(O3PCH2PO3)4(HO3PCH2PO3)2].34H2O (4c) as a pure Li+ salt. A new rectangular anion, formed by connecting two MoV dimers and two MoVI octahedra via methylenediphosphonato ligands with NH4+ as counterions, (NH4)10[(MoV2O4)2(MoVIO3)2(O3PCH2PO3)2(HO3PCH2PO3)2].15H2)O (3a), and Li9(NH4)2Cl[(MoV2O4)2(MoVIO3)2(O3PCH2PO3)2]. 22H2O (3d) as a mixed NH4+ and Li+ salt have also been synthesized. The structural characterization of the compounds, combined with a study of their behavior in solution, investigated by 31P NMR, has allowed a discussion on the influence of the counterions on the structure of the anions and their stability. Density functional theory calculations carried out on both isomers of the [(MoV2O4)4(O3PCH2PO3)4(SO3)2]12- anion (2), either assumed isolated or embedded in a continuum solvent model, suggest that the anti form is favored by approximately 2 kcal mol(-1). Explicit insertion of two solvated counterions in the molecular cavity reverses this energy difference and reduces it to less than 1 kcal mol(-1), therefore accounting for the observed structural versatility.     

High-power laser with Nd:YAG single-crystal fiber grown by the micro-pulling-down technique

We present optical characterization and laser results achieved with single-crystal fibers directly grown by the micro-pulling-down technique. We investigate the spectroscopic and optical quality of the fiber, and we present the first laser results. We achieved a cw laser power of 10 W at 1064 nm for an incident pump power of 60 W at 808 nm and 360 kW peak power for 12 ns pulses at 1 kHz in the Q-switched regime. It is, to the best of our knowledge, the highest laser power ever achieved with directly grown single-crystal fibers.     

Light‐Responsive Block Copolymers

Stimuli‐responsive polymers are the subject of intense research because they are able to show responses to various environmental changes. Among those stimuli, light has attracted much attention since it can be localized in time and space and it can also be triggered from outside of the system. In this paper, we review light‐responsive block copolymers (LRBCs) that combine characteristic features of block copolymers, e.g., self‐assembly behavior, and light‐responsive systems. The different photo‐responsive moieties that have been incorporated so far in block copolymers as well as the proposed applications are discussed.

     

On a Lagrangian formulation of gravitoelectromagnetism

We examine a Lagrangian formulation of gravity based on an approach analogous to electromagnetism, called Gravitoelectromagnetism (GEM). The gravitational analogue of the electromagnetic field tensor is a three-index tensor, \({\mathcal {F}_{\mu\nu\lambda}}\), defined in terms of a two-index gravitoelectromagnetic potential, \({\mathcal {A}_{\mu\nu}}\). The energy-momentum tensor is derived and is symmetric. We construct a Lagrangian which allows us to describe interactions between fermions, photons and gravitons. We calculate transition amplitudes of various processes involving gravitons: gravitational Møller scattering, gravitational Compton scattering, and the graviton photoproduction.     

Validation and Limits of Finite Inflatable Beam Elements

Although nowadays inflatable tubular beams are often used in the field of civil engineering, by now there are only few publications dealing with finite deformation inflatable beam elements, see e.g. [1], [2] and [3]. All formulations of inflatable beams have several assumptions in common, as constant cross sections throughout the deformation, a constant internal gas pressure and the negligence of circumferential stresses. These assumptions have to be validated either by experiments or numerical analysis. In the current contribution beam–like structures are investigated using a finite element shell or membrane formulation and featuring a volume dependent gas loading, see e.g. [5] and [4]. In general the formulation substitutes the internal gas pressure by an energetically equivalent volume dependent loading and thus enables to check for potential gas pressure changes during the deformation process of the inflated beam as a consequence of volume changes. Further local deformations as occurring in the vicinity of supports or almost single loads can be considered. In this paper the focus will be only on the initial assumption of the beam theory that the biaxial stress state is neglected. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Multiscale modeling of a fluid saturated medium with double porosity: Relevance to the compact bone

In this paper, we develop a model of a homogenized fluid-saturated deformable porous medium. To account for the double porosity the Biot model is considered at the mesoscale with a scale-dependent permeability in compartments representing the second-level porosity. This model is treated by the homogenization procedure based on the asymptotic analysis of periodic “microstructure”. When passing to the limit, auxiliary microscopic problems are introduced, which provide the corrector basis functions that are needed to compute the effective material parameters. The macroscopic problem describes the deformation-induced Darcy flow in the primary porosities whereas the microflow in the double porosity is responsible for the fading memory effects via the macroscopic poro-visco-elastic constitutive law. For the homogenization procedure, we use the periodic unfolding method. We discuss also the stress and flow recovery at multiple scales characterizing the heterogeneous material. The model is proposed as a theoretical basis to describe compact bone behavior on multiple scales.     

Shadowgraph, Schlieren and interferometry in a 2D cavitating channel flow

Cavitation plays an important role in fuel atomization mechanisms, but the physics of cavitation and its impact on spray formation and injector efficiency are not well documented yet. Experimental investigations are required to support the development and the validation of numerical models and the design of tomorrow??s injectors, in the context of pollutant and fuel consumption reduction. The complexity of modern injectors and the extreme conditions of injection do not facilitate experimental investigations. In this paper, experiments are conducted in a simplified geometry. The model nozzle consists of a transparent 2D micro-channel supplied with a test oil (ISO 4113). Three different optical techniques are proposed to investigate the channel flow, with the pressure drop between upstream and downstream chambers as a parameter. A shadowgraph-like imaging technique allows the observation of cavitation inception and vapor cavities development throughout the channel. The technique also reveals the presence of density gradients (pressure or temperature) in the channel flow. However, this additional information is balanced by difficulties in image interpretation, which are discussed in the paper. In addition, a combination of Schlieren technique and interferometric imaging is used to measure the density fields inside the channel. The three techniques results are carefully analyzed and confronted. These results reveal a wealth of information on the flow, with pressure waves generated by bubble collapses, turbulence in the wake of vapor cavities and bubble survival in flow regions of high pressure. Our results also show that cavitation inception is located in the shear layers between the recirculation zones and the main flow, relatively far from the inlet corner, where the pressure is minimum in average. To explain this behavior, we propose a scenario of cavitation inception based on the occurrence and the growing of instabilities in the shear layers.