Studies on nitroaromatic compound degradation in modified Fenton reactions by electrospray ionization tandem mass spectrometry (ESI-MS-MS)

Degradation products resulting from modified Fenton reactions with the nitroaromatic compounds trinitrotoluene (TNT) and trinitrobenzene (TNB) were identified by electrospray ionization tandem mass spectrometry (ESI-MS-MS). Several hydroperoxide adducts were tentatively identified as initial, one-electron reduction products of TNT and tandem mass spectrometry confirmed their structure. A transformation pathway of TNT, resulting from reactions with oxygen radical species generated by the modified Fenton reaction, was proposed.     

XPS characterisation of core-shell silica-polymer composite particles synthesised by atom transfer radical polymerisation in aqueous media

Near-monodisperse, siloxane-functionalised silica particles are used as a colloidal substrate for the surface-initiated polymerisation of various hydrophilic methacrylates: oligo(ethylene glycol) methacrylate (OEGMA), 2-(N-morpholino)ethyl methacrylate (MEMA), and ammonium 2-sulfatoethyl methacrylate (SEM) by atom transfer radical polymerisation in aqueous media at room temperature. The bulk and surface compositions of the resulting composite particles were assessed using various techniques. Thermogravimetric analysis of the resulting silica-polymer composites indicated polymer loadings of 5.4-8.6%, depending on the nature, structure and target degree of polymerisation (D_p). Dynamic light scattering studies indicate increases in hydrodynamic diameter of 14-87 nm compared to the reference silica particles. FT-IR spectroscopy confirmed additional features characteristic of the carbonyl group and pendant end-chain functionalities of the methacrylic polymer chains. The elemental and chemical surface compositions of the initial silica particles and final polymer-grafted composite particles were extensively investigated by X-ray photoelectron spectroscopy (XPS). The composite particles had appreciably higher C/Si atomic ratios, compared to the original initiator-functionalised silica particles, and these ratios increased with increasing target D_p. In addition, close inspection revealed that the relative intensities of the various components of the peak-fitted C1s envelopes varied significantly, depending on the target degree of polymerisation and the chemical structure of the methacrylic monomer. Moreover, in the case of the MEMA and SEM polymerisations, new nitrogen (MEMA) and sulfur (SEM) XPS signals were detected. This XPS study confirmed the presence of a thin outer layer of grafted polymer chains surrounding the silica particles.     

Synthesis of C-linked glycopyranosyl serines via a chiral glycine enolate equivalent

[formula: see text] The stereoselective preparation of C-linked D-gluco- and D-galactopyranosyl L-serines in their alpha and beta forms is herein reported. The syntheses require the conversion of the allyl C-glycopyranosides into their iodoethyl derivatives, which then undergo substitution with the Williams' chiral glycine enolate equivalent. Deprotection and acetylation affords Boc-protected amino acids for peptide synthesis.     

Combinatorial synthesis in micro reactors

This article reviews the current and future applications of micro reactors in the field of combinatorial chemistry and drug discovery. Liquid phase reactions have been used to illustrate the advantages of performing chemical reactions in micro reactors which illustrate that reactions can be performed very rapidly in high yield to enable the preparation of combinatorial libraries of structurally related compounds.     

An implementation of the Spalart–Allmaras DES model in an implicit unstructured hybrid finite volume/element solver for incompressible turbulent flow

In this paper, we describe an implicit hybrid finite volume (FV)/element (FE) incompressible Navier–Stokes solver for turbulent flows based on the Spalart–Allmaras detached eddy simulation (SA‐DES). The hybrid FV/FE solver is based on the segregated pressure correction or projection method. The intermediate velocity field is first obtained by solving the original momentum equations with the matrix‐free implicit cell‐centered FV method. The pressure Poisson equation is solved by the node‐based Galerkin FE method for an auxiliary variable. The auxiliary variable is closely related to the real pressure and is used to update the velocity field and the pressure field. We store the velocity components at cell centers and the auxiliary variable at vertices, making the current solver a staggered‐mesh scheme. The SA‐DES turbulence equation is solved after the velocity and the pressure fields have been updated at the end of each time step. The same matrix‐free FV method as the one used for momentum equations is used to solve the turbulence equation. The turbulence equation provides the eddy viscosity, which is added to the molecular viscosity when solving the momentum equation. In our implementation, we focus on the accuracy, efficiency and robustness of the SA‐DES model in a hybrid flow solver. This paper will address important implementation issues for high‐Reynolds number flows where highly stretched elements are typically used. In addition, some aspects of implementing the SA‐DES model will be described to ensure the robustness of the turbulence model. Several numerical examples including a turbulent flow past a flat plate and a high‐Reynolds number flow around a high angle‐of‐attack NACA0015 airfoil will be presented to demonstrate the accuracy and efficiency of our current implementation. Copyright © 2008 John Wiley & Sons, Ltd.     

Ueber die Spectra des Kohlenstoffs und seiner Verbindungen

Ohne Zusammenfassung     

Das Atomgewicht des Radiums

Ohne Zusammenfassung