Noise properties of a NMR transceiver coil array

The use of multiple radiofrequency (RF) surface coil elements has applications in both fast parallel imaging and conventional imaging techniques. Through implementation of a simple magnetic decoupling network, 50 Omega matching can be achieved in both the transmitter and receiver chains, enabling the use of conventional RF power amplifiers and preamplifiers for transceive applications. Unlike phased array coil arrangements using low impedance preamplifiers for decoupling, the noise correlation between 50 Omega coils decoupled with discrete components has not been characterized. We have measured the dependence of coil quality factor (Q-factor) and noise correlation on coil separation and shown these quantities to be consistent with theoretical arguments, at least at 4 T (170 MHz). Our results suggest that a coil system for transmission and reception of NMR signals with 50 Omega coils can be built to take advantage of all the benefits of conventional array coils and with the added advantages of using conventional amplifiers.     

Degradation of inter-atomic bonds during structural phase change in intermediate Ni-clusters (Ni39-Ni49)

Results based on a symmetry- and spin-unrestricted tight-binding molecular-dynamics study are presented for the ground-state geometries of intermediate Ni(n), n in [39,49], clusters. A structural phase change is found to take place around n=43 during which a structural transition from fcc/hcp structure to icosahedral one is observed. This is in good agreement with recent experimental findings. This structural transition is found to be associated with a degradation of the inter-atomic bond energy which indicates that the inter-atomic bond does not only depend on the coordination number of each atom but also on its point group symmetry.     

The first fluorescent diboronic acid sensor specific for hepatocellular carcinoma cells expressing sialyl Lewis X

Carbohydrate antigens with subterminal fucosylation have been implicated in the development and progression of several cancers, including hepatocellular carcinoma (HCC). Fluorescent sensors targeting fucosylated carbohydrate antigens could potentially be used for diagnostic and other applications. We have designed and synthesized a series of 26 diboronic acid compounds as potential fluorescent sensors for such carbohydrates. Among these compounds, 7q was able to fluorescently label cells expressing high levels of sLex (HEPG2) within a concentration range of 0.5 to 10 microM. This compound (7q) did not label cells expressing Lewis Y (HEP3B), nor cells without fucosylated antigens (COS7). This represents the first example of a fluorescent compound labeling cells based on cell surface carbohydrate structures.     

Magnetic properties of C60 polymers

Magnetic properties of various C60 polymers are calculated using tight-binding molecular-dynamics and ab initio methods. Our results suggest a mechanism involving an interplay between structural defects and sp(3) hybridization to be responsible for the origin of this magnetism. The onset of magnetism is found to occur much more readily for the Rh-C60 polymeric phase with defects than for any of the other polymers, in agreement with the recent experiment. Our estimate of the magnetic moment is also in very good agreement with the value observed in experiment.     

Carbon nanotube "T Junctions": formation pathways and conductivity

Using tight-binding molecular dynamics we simulate the formation of single wall carbon nanotube T junctions via the fusing of two nanotubes. We propose energetically efficient pathways for this process in which all atoms maintain their sp(2) arrangements throughout. Recent experimental advances have greatly increased the plausibility of synthesizing T junctions as proposed in the simulations. We further report I-V characteristics of the formed junctions.     

A parallel synthesis demonstration library of tri-substituted indazoles containing new antimutagenic/antioxidant hits related to benzydamine

A solution phase strategy for the multiple parallel synthesis of a demonstration library of indazoles is described by which regio-selectivity problems inherent to previous syntheses of this nucleus are largely overcome. Synthesis of selected components proceeded satisfactorily indicating that a fully realized library of indazole analogs could readily be produced using this methodology. Simple modifications of the basic nucleophilic aromatic substitution route unambiguously produce a range of N-1 substitutions (alkyl, aryl and aralkyl) in 50-75% yields. Next a range of substituents was introduced at the C-3 position in 50-80% yields by O-alkylation. Careful choice of reagents and reaction conditions were required to prevent by-product formation due to competing alkylation at N-2 (trace to 15% yields). When present, these contaminants were readily removed by chromofiltration. A third diversity site was sketched in at C-5 in 75-90% yield by reductive alkylation or acylation. Screening of some of the demonstration library members in vitro revealed highly active antioxidants suggesting that producing a full library would be worthwhile.     

Catalytic action of Ni atoms in the formation of carbon nanotubes: a molecular dynamics study

Catalytic action of Ni atoms in the growth of single-wall carbon nanotubes is investigated using tight-binding molecular dynamics and ab initio methods. Our results demonstrate this to be a two step process in which the Ni atom first creates and stabilizes defects in nanotubes. The subsequent incorporation of incoming carbon atoms anneals the Ni-stabilized defects freeing the Ni atom to repeat the catalytic process.     

Velocity fluctuations in a homogeneous 2D granular gas in steady state

We have measured the spectrum of velocity fluctuations in a granular system confined to a vertical plane and driven into a homogeneous, steady state by strong vertical vibration. The distribution of horizontal velocities is not Maxwell-Boltzmann and is given by P(v) = Cexp[-beta(|v|/sigma)(alpha)] where alpha = 1.55+/-0.1 at all frequencies and amplitudes investigated, and also for varying boundary conditions. The deviation from Maxwell-Boltzmann statistics occurs in the absence of spatial clustering and does not result from an inhomogeneous average over regions of varying local density. Surprisingly, P(v) has the same shape over a wide range of densities.     

Simulation of spray combustion in a lean-direct injection combustor

Large-eddy simulation (LES) of a liquid-fueled lean-direct injection (LDI) combustor is carried out by resolving the entire inlet flow path through the swirl vanes and the combustor. A localized dynamic subgrid closure is combined with a subgrid mixing and combustion model so that no adjustable parameters are required for both non-reacting and reacting LES. Time-averaged velocity predictions compare well with the measured data. The unsteady flow features that play a major role in spray dispersion, fuel–air mixing and flame stabilization are identified from the simulation data. It is shown that the vortex breakdown bubble (VBB) is smaller with more intense reverse flow when there is heat release. The swirling shear layer plays a major role in spray dispersion and the VBB provides an efficient flameholding mechanism to stabilize the flame.     

Stability-Indicating HPTLC Method for the Determination of Tamsulosin in Pharmaceutical Dosage Forms

A simple, sensitive, selective, precise and stability indicating high-performance thin-layer chromatographic method was developed for the determination of tamsulosin (TAM) in bulk and tablet formulation. Validation was carried out in compliance with International Conference on Harmonization guidelines. The method employed thin-layer chromatography aluminium plates pre-coated with silica gel 60F₂₅₄ as the stationary phase and the mobile phase consisted of acetonitrile/methanol/dichloromethane (2.0: 1.0: 2.0, v/v/v). This solvent system was found to give compact spots for tamsulosin (R _f = 0.27 ± 0.02). Densitometric analysis of TAM was carried out in the absorbance mode at 286 nm. Linear regression analysis showed good linearity (r ² = 0.9993) with respect to peak area in the concentration range of 300–800 ng per band. The method was validated for precision, accuracy, ruggedness and recovery. Limits of detection and quantitation were 8.49 and 25.72 ng per band, respectively. TAM was subjected to acid and alkali hydrolysis, oxidation, photo degradation, dry heat and wet heat treatment. The drug underwent degradation under acidic, basic and photolytic conditions. The degraded products were well separated from the pure drug. Statistical analysis proved that the developed method, used for quantification of TAM as a bulk drug and present in pharmaceutical tablets, was reproducible and selective.