Photoreactivity of ETS-10

Irradiation of H-ETS-10 in the presence of adsorbed methanol or ethene causes photoreduction of Ti(IV) to Ti(III); photoreduction does not occur for Na, K-ETS-10, but a photoinduced polymerization of ethene is observed.     

Pressure transients generated when high-speed trains pass in a tunnel

An analysis is made of the pressure transients generated when two high-speed trains meet in a tunnel. Safe operation at speeds exceeding about 300 km/h usually demands that the hydraulicblockage produced by a train should be small. The problem canthen be formulated in terms of the scattering of the potentialflow near field of each train by the moving surface of theother train, and this permits the derivation of closed formrepresentations of the unsteady pressure in the special caseof ‘snub nosed’ trains in a tunnel of semicircularcross-section. This solution is used to devise a general procedurefor calculating pressure transients generated by trains ofarbitrary nose profiles in tunnels of arbitrary cross-sectionalshape in terms of a knowledge of the local incompressible potentialflow produced by each train travelling separately in the tunnel.Numerical results indicate that at train Mach numbers exceeding0.25the amplitudes of the pressure transients generated bymeeting trains will typically exceed about 25 per cent of theamplitude of the compression wave produced when a train entersor leaves the tunnel. Received 12 April, 1999. Revised 13 March, 2000.     

Is perfection ever attainable? Strong coupling effects in the Perfect Echo

The Perfect Echo sequence, originally proposed in the late 1980s, has recently been popularised with many applications in the field of small-molecule proton NMR spectroscopy. The Perfect Echo refocuses all homonuclear J-couplings for AX spin systems and refocuses magnetization in-phase for more complex weakly coupled spin systems, albeit with some intensity reduction. In contrast to suggestions in previous publications, spectra acquired in our laboratory showed that the Perfect Echo caused intensity distortions in strongly coupled systems where the chemical shift difference between the coupled spins was not large compared to the J-coupling. This paper reports experimental observations and theoretical analysis of strongly coupled spins to confirm the distortions are real and that they originate principally from transfer of magnetization caused by the final inversion pulse of the Perfect Echo. The intensity changes are not large, but because of them, identifications of coupling partners based on resonance intensities (“roofing”) can no longer be relied on when the Perfect Echo is used. However, theory and experiment confirm that adding an orthogonal excitation pulse at the end of the Perfect Echo greatly reduces the distortions.     

Dechanneling of MeV protons in tungsten

Abstract

A systematic investigation of the dechanneling of protons in tungsten has been completed for the <111> axial direction and also for the (110) plane. Measurements at room temperature have been made at energies of 0.5, 2.0, 3.5, 8.0 and 12.0 MeV; at 2.0 MeV, the effect of target temperature has been investigated over the range 77–873°K. In the axial case, the dechanneling rate increases strongly with the vibrational amplitude _ρ, but not as strongly as the ρ² dependence reported by the Catania group (Refs. 4–7) for silicon and germanium. Also, unlike silicon and germanium, the tungsten axial data exhibit practically no energy dependence and so cannot be fitted by the zρ²/E scaling parameter suggested by the Catania group. On the other hand, the planar dechanneling data in tungsten exhibit the predicted (E ^?1)dependence and relatively littie temperature dependence, in good agreement with previous work.     

Stimuli-Responsive Cycloaurated “OFF-ON” Switchable Anion Transporters

Anion transporters have shown potential application as anti-cancer agents that function by disrupting homeostasis and triggering cell death. In this research article we report switchable anion transport by gold complexes of anion transporters that are “switched on” in situ in the presence of the reducing agent GSH by decomplexation of gold. GSH is found in higher concentrations in tumors than in healthy tissue and hence this approach offers a strategy to target these systems to tumors.     

Ion bombardment of ordered Zr3Al

The behaviour of the ordered alloy Zr₃Al was investigated by transmission electron microscopy following ion bombardments at temperatures ranging from 30 to 850 K. Utilizing high energy(0.5–2.0 MeV) C⁺, N⁺ and Ar⁺ ion bombardments, observations were made of the irradiation-induced transformation from the ordered → disordered → amorphous states. Information about individual damage cascades was also obtained using both high energy (C⁺. N⁺ and Ar⁺) and low energy (15–120 keV Cu⁺) ion bombardments.     

Fluorine–proton correlation from isolated trifluoromethyl groups using unresolved J‐couplings

Fluorine‐containing compounds are rare in biological systems, so fluorine NMR spectroscopy can selectively detect and quantify fluorinated xenobiotics in crude biological extracts. The high sensitivity of fluorine NMR allows the detection of compounds containing isolated trifluoromethyl groups at nanogramme levels. However, it only provides limited structural information about trifluoromethyl‐containing compounds owing to the difficulty of interpreting fluorine chemical shifts and the low sensitivity of HOESY experiments used to correlate fluorine nuclei with protons in the same compound. This paper demonstrates that long‐range fluorine–proton J‐couplings can be used to correlate isolated trifluoromethyl groups with nearby protons with significantly higher sensitivity than HOESY. Fluorine‐observe fluorine–proton HMQC can even give correlations when the fluorine–proton J‐couplings are less than the observed fluorine resonance linewidth, so it provides a useful alternative source of structural information about fluorinated xenobiotics. Copyright © 2012 John Wiley & Sons, Ltd.     

Application of principal component analysis to a full profile correlative analysis of FTIR spectra

We have demonstrated an informatics methodology for finding correlations between the full profile Fourier transform infrared spectra of polycrystalline 3C‐silicon carbide (poly‐SiC) films and their growth conditions, thereby developing high‐throughput structure‐process relationships. Because SiC films are a structural element in photonic sensors, this paper focuses on the interpretation of their optical response, the multivariate tracking of critical processing pathways, and the identification of controlling processing mechanisms. Using principal component analysis, we have developed a data analysis tool to aid in the assessment of the relative contributions of experimental parameters in low‐pressure chemical vapor deposition processes to optical responses on the basis of the size of eigenvalues of the spectral data set. The applied methodology for identifying spectral relationships of stoichiometry, dopant chemistry, and microstructure of poly‐SiC provides more effective guidelines to manipulate optical responses by controlling multiple experimental parameters. Copyright © 2011 John Wiley & Sons, Ltd.     

The genetically optimized tunnel-entrance hood

A numerical procedure is investigated for optimizing the design of tunnel-entrance hoods used for controlling the compression wave generated when a high-speed train enters a tunnel. Long hoods are required for long tunnels and train speeds exceeding about 350 km/h. The hood must minimize the maximum pressure gradient across the compression wave-front by taking advantage of the pressure-release provided by open windows distributed along one or both of its walls. The compression wave produced by the train can be evaluated by means of a rapid computational scheme devised and validated against experiment. Optimization is achieved by representing a possible distribution of windows by a binary string. The individuals in an initial, random population of such strings are allowed to ‘mate’ and evolve by ‘natural selection’ through several generations towards an optimal configuration by application of a genetic algorithm. The genetically fittest hood is associated with the minimum possible maximum pressure gradient for prescribed values of the train speed and hood dimensions. The algorithm yields an optimal design from among a theoretically unlimited number of possibilities; it can also supply near-optimal, smoothly varying window distributions (or optimize the variation in width of a long slit-like window in the hood wall) satisfying additional constraints imposed by the designer.