Influence of vehicular traffic on a major trunk road on rural air quality in UK

Although poor air quality has long been linked to urban areas, it is seemingly apparent that many rural areas have locations where air quality strategy objectives may be threatened in the wake of increasing vehicular traffic. This study examined the contributions of traffic towards air quality status by conducting monthly assessment of rural air quality along the A49 trunk road. The aim is to observe differences in main pollutant concentrations depending on the distance from the road.Monthly data of particulate deposits were monitored at roadsides, 50 m and 100 m distance in proximity to the A49 trunk road over a 22-month period (June 2008–Apr 2010). Direct analysis by SEM-EDS, ICP-MS, PTrak and XRF revealed a seasonal, intra-and inter-site variations and a distance–decay relationship. However, at some locations with increased vehicular activities, this relationship was altered.     

Studies on the preparation of 3,4-disubstituted 2-methoxypyridines

The synthesis of 2-methoxy-4-methylpyridine-3-carbonitrile (3) and its conversion, by way of alkylation of the C(4) methyl group, into the pyrodyl acetic acid ester 6 is described.     

Benchmarking and analysis of 6Li neutron depth profiling of lithium ion cell electrodes

The University of Texas at Austin Neutron Depth Profiling (UT-NDP) facility was utilized to analyze varying cathode compositions in lithium battery materials. Battery materials included LiCoO₂, LiMn_1/3Ni_1/3Co_1/3O₂, and LiFePO₄. The cells were made at The University of Texas at Austin as coin cells with lithium anodes. The NDP analysis method for Li in battery materials was benchmarked between two facilities and with computational models.     

An algorithmic approach for maintenance management based on advanced state space systems and harmonic regressions

Point mechanisms are special track elements which failures results in delays and increased operating costs. In some cases such failures cause fatalities. A new robust algorithm for fault detection of point mechanisms is developed. It detects faults by comparing what can be considered the ‘normal’ or ‘expected’ shape of some signal with respect to the actual shape observed as new data become available. The expected shape is computed as a forecast of a combination of models. The proposed system deals with complicated features of the data in the case study, the main ones being the irregular sampling interval of the data and the time varying nature of the periodic behaviour. The system models are set up in a continuous-time framework and the system has been tested on a large dataset taken from a point mechanism operating on a commercial line.     

UPLC-MS/MS Method for the Identification of Recombinant Human Erythropoietin Analogues in Horse Plasma and Urine

Recombinant human erythropoietin (rhEPO) analogues are known to have been used in horse sports for their assumed performance enhancing properties. Recently, several authors have published liquid chromatographic-tandem mass spectrometric (LC-MS/MS) methods for confirming the presence of rhEPO analogues in horse plasma. In the current study, an improved LC-MS/MS confirmatory procedure for rhEPO, darbepoetin (DPO) and continuous erythropoietin receptor activator (CERA) in horse plasma was developed and validated. The method was also adapted for and applied to urine samples for the first time. Similar to previously published plasma assays, the methods utilise size exclusion and immunoaffinity extraction prior to tryptic cleavage, enzymatic deglycosylation and LC-MS/MS analysis of the resulting signature tryptic peptides (rhEPO/CERA T5, rhEPO/CERA/DPO T6 and DPO T9). However, the novel application of UPLC chromatography significantly improves the run time of the method compared to nano- or micro-LC and its robustness compared to nano-LC. Furthermore, recombinant canine EPO was found to serve as an effective internal standard, thus allowing confidence in interpretation of the success/failure of every step in the procedure. Limits of detection for confirming the presence of rhEPO, CERA and DPO in plasma were 0.1, 0.25 and 0.05 ng mL^?1, respectively, which were equal to or lower than limits achieved using previously published LC-MS/MS based methods. Limits of detection for confirming the presence of rhEPO, CERA and DPO in urine were 0.05, 0.15 and 0.025 ng mL^?1 and the analysis of urine samples collected from horses administered rhEPO (Eprex?) or DPO (Aranesp?) demonstrated the use of this matrix as a suitable alternative in situations where plasma is not available.     

A class of exactly solvable models for the Schrödinger equation

We present a class of confining potentials which allow one to reduce the one-dimensional Schrödinger equation to a named equation of mathematical physics, namely either Bessel’s or Whittaker’s differential equation. In all cases, we provide closed form expressions for both the symmetric and antisymmetric wavefunction solutions, each along with an associated transcendental equation for allowed eigenvalues. The class of potentials considered contains an example of both cusp-like single wells and a double-well.     

Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions

In model studies towards the quaternary centre at the heart of diazonamide A (early structure 2; revised structure 1), cyclisations of the alkene-substituted iodoaryls 4, 13, 18 and 23, under Heck reaction conditions, were shown to lead to the corresponding benzodihydrofuran 5, benzofuranone 14 and the oxindoles 19 and 24 respectively, in 50-80% yield. Further manipulation of the benzodihydrofuran 5 then led to the intermediates 30, 33 and 39, which make up parts of the oxazole-indole heterocyclic core in diazonamide A. Attempts to perform a corresponding 13-exo-trig Heck cyclisation from the precursor 46a, prepared from 44 and 45, leading to 47 were not successful. A similar outcome was obtained during attempts to effect Heck cyclisations from the ester 57 and the related ether 59. Treatment of the chromene-substituted iodoaryl 62 with Pd(OAc)2, PPh3 and Ag2CO3 led to the spirocycle 64 as a crystalline solid. X-Ray crystal structure analysis established that the quaternary centre in 64 had the same configuration as that present in diazonamide A (1).     

Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes

Copper(I) complexes of the ligand cis-1,3,5-tris(cinnamylideneamino)cyclohexane (L) have been prepared from a versatile precursor complex, [Cu(I)(L)NCMe]BF4, which incorporates a labile acetonitrile ligand that can be exchanged to give a range of new Cu(L)X complexes (where X = Cl, Br, NO2, SPh). 1H NMR spectra and X-ray structures of the Cl, Br and NO2 complexes show L coordinated in a symmetric fashion about the copper centre. The complexes have been further characterised using UV/Visible spectroscopy and cyclic voltammetry. CuLCl shows an electrochemically reversible Cu(I/II) redox couple at 0.51 V (vs. Ag/AgCl) while the CuLNO2 complex shows an analogous quasi-reversible wave at 0.41 V (vs. Ag/AgCl).     

Quantum Impurity Models with Coupled Cluster Method

We investigate the ground-state properties of the Anderson single impurity model （finite Coulomb impurity repulsion） with the Coupled Cluster Method. We consider different CCM reference states and approximation schemes and make comparison with exact Green＇s function results for the non-interacting model and with Brillouin-Wigner perturbation theory for the full interacting model. Our results show that coupled cluster techniques are well suited to quantum impurity problems.