Comparison of six derivatizing agents for the determination of nine synthetic cathinones using gas chromatography-mass spectrometry

Six acylation reagents have been compared for their derivatisation potential towards nine synthetic cathinones by gas chromatography-mass spectrometry (GC-MS). The evaluated reagents were pentafluoropropionic anhydride (PFPA), trifluoroacetic anhydride (TFA), chlorodifluoroacetic anhydride (CLF2AA), heptafluorobutyric anhydride (HFBA), acetic anhydride (AA) and propionic anhydride (PA). The synthetic cathinones included flephedrone (4-fluoromethcathinone or 4-FMC), mephedrone (4-methylmethcathinone or 4-MMC), pentedrone (also known as α-methylamino-valerophenone), methedrone (4-methoxy-N-methcathinone, p-methoxymethcathinone), methylone (3,4-methylenedioxy-N-methylcathinone or bk-MDMA), butylone (β-keto-N-methylbenzodioxolylbutanamine or bk-MBDB), ethylone (3,4-methylenedioxy-N-ethylcathinone MDEC or bk-MDEA), pyrovalerone (4-methyl-β-keto-prolintane) and 3,4-methylenedioxypyrovalerone (MDPV). The derivatizing agents were optimised for incubation time and temperature with some important validation parameters studied to evaluate derivatisation reactions. The anhydrides studied proved to be suitable for synthetic cathinones – all of them showing RSD and accuracy below 20%. PFPA and HFBA followed by TFA are the best choice of derivatising agents based on validation parameters. Five internal standards were evaluated with good results. Three way ANOVA, interference, fragmentation patterns and high peak area values at a concentration of 0.50 μg ml−1 were evaluated and discussed. AA and PA derivatives give high relative abundance for most drugs examined. HFBA gives more ions and multi-fragmentation patterns

A holistic analysis method to assess the controllability of commercial buildings and their systems

This paper describes a novel design process for advanced MIMO (multiple inputs and multiple outputs) control system design and simulation for buildings. The paper describes the knowledge transfer from high technology disciplines such as aerospace flight control systems and the space industry to establish a three-step modelling and design process. In step 1, simplified, but holistic nonlinear and linearised dynamic models of the building and its systems is derived. This model is used to analyse the controllability of the building. In step 2, further synthesis of this model leads to the correct topology of the control system design. This is proved through the use of simulation using the simple building model. In step 3, the controller design is proved using a fully detailed building simulation such as ESP-r that acts as a type of virtual prototype of the building. The conclusions show that this design approach can help in the design of superior and more complex control systems especially for buildings designed with a Climate Adaptive Building (CAB) philosophy where many control inputs and outputs are used to control the building's temperature, concentration of CO2, humidity and lighting levels

Automatic vs Manual Provenance Abstractions: Mind the Gap

In recent years the need to simplify or to hide sensitive information in provenance has given way to research on provenance abstraction. In the context of scientific workflows, existing research provides techniques to semi automatically create abstractions of a given workflow description, which is in turn used as filters over the workflow's provenance traces. An alternative approach that is commonly adopted by scientists is to build workflows with abstractions embedded into the workflow's design, such as using sub-workflows. This paper reports on the comparison of manual versus semi-automated approaches in a context where result abstractions are used to filter report-worthy results of computational scientific analyses. Specifically; we take a real-world workflow containing user-created design abstractions and compare these with abstractions created by ZOOM UserViews and Workflow Summaries systems. Our comparison shows that semi-automatic and manual approaches largely overlap from a process perspective, meanwhile, there is a dramatic mismatch in terms of data artefacts retained in an abstracted account of derivation. We discuss reasons and suggest future research directions.Comment: Preprint accepted to the 2016 workshop on the Theory and Applications of Provenance, TAPP 201

Slepian Spatial-Spectral Concentration on the Ball

We formulate and solve the Slepian spatial-spectral concentration problem on the three-dimensional ball. Both the standard Fourier-Bessel and also the Fourier-Laguerre spectral domains are considered since the latter exhibits a number of practical advantages (spectral decoupling and exact computation). The Slepian spatial and spectral concentration problems are formulated as eigenvalue problems, the eigenfunctions of which form an orthogonal family of concentrated functions. Equivalence between the spatial and spectral problems is shown. The spherical Shannon number on the ball is derived, which acts as the analog of the space-bandwidth product in the Euclidean setting, giving an estimate of the number of concentrated eigenfunctions and thus the dimension of the space of functions that can be concentrated in both the spatial and spectral domains simultaneously. Various symmetries of the spatial region are considered that reduce considerably the computational burden of recovering eigenfunctions, either by decoupling the problem into smaller subproblems or by affording analytic calculations. The family of concentrated eigenfunctions forms a Slepian basis that can be used be represent concentrated signals efficiently. We illustrate our results with numerical examples and show that the Slepian basis indeeds permits a sparse representation of concentrated signals.Comment: 33 pages, 10 figure

Non-linear convergence in Asian interest rates and inflation rates

We examine the dynamics of convergence of the ASEAN5 plus the big three for nominal interest rates, inflation rates, and real interest rates. We test for convergence relative to the U.S and Japan, using monthly data over the period January 1990 - December 2010, using non-linear unit root tests. The results show strong evidence of stationary inflation and real interest rate differentials in all but China’s inflation differential relative to the U.S., and stationary nominal interest differentials in most of the cases. We interpret these results as convergence in inflation rates and real interest rates in all cases, and as nominal interest convergence in most of the cases. Moreover, examining the impact of the Asian crisis shows less number of convergences before the crisis and more convergences after the crisis. This suggests that convergence has increased after the 1997/98 Asian crisis, and that the crisis has pulled the economies together.interest rates convergence; inflation convergence; nonlinear unit root tests

An Optimal Dimensionality Sampling Scheme on the Sphere for Antipodal Signals In Diffusion Magnetic Resonance Imaging

We propose a sampling scheme on the sphere and develop a corresponding spherical harmonic transform (SHT) for the accurate reconstruction of the diffusion signal in diffusion magnetic resonance imaging (dMRI). By exploiting the antipodal symmetry, we design a sampling scheme that requires the optimal number of samples on the sphere, equal to the degrees of freedom required to represent the antipodally symmetric band-limited diffusion signal in the spectral (spherical harmonic) domain. Compared with existing sampling schemes on the sphere that allow for the accurate reconstruction of the diffusion signal, the proposed sampling scheme reduces the number of samples required by a factor of two or more. We analyse the numerical accuracy of the proposed SHT and show through experiments that the proposed sampling allows for the accurate and rotationally invariant computation of the SHT to near machine precision accuracy.Comment: Will be published in the proceedings of the International Conference Acoustics, Speech and Signal Processing 2015 (ICASSP'2015

Multi-channel GaAs-based planar gunn diodes

We present a multi-channel GaAs-based planar Gunn diode. By introducing extra channels, the output RF power has been significantly improved compared to single-channel GaAsbased planar Gunn diodes. For a 1.14 μm length and 60 μm wide device, the highest power achieved was approximately -4 dBm operating in fundamental mode at 109 GHz, and -26.6 dBm at its second-harmonic at 218 GHz