On the origin of the forward peak and backward oscillations in the F + H2(v = 0) to HF(v' = 2) + H reaction

We present a semiclassical complex angular momentum (CAM) analysis of the forward scattering peak which occurs at a translational collision energy around 32 meV in the quantum mechanical calculations for the F + H2(v = 0, j = 0) ? HF(v' = 2, j' = 0) + H reaction on the Stark–Werner potential energy surface. The semiclassical CAM theory is modified to cover the forward and backward scattering angles. The peak is shown to result from constructive/destructive interference of the two Regge states associated with two resonances, one in the transition state region and the other in the exit channel van der Waals well. In addition, we demonstrate that the oscillations in the energy dependence of the backward differential cross section are caused by the interference between the direct backward scattering and the decay of the two resonance complexes returning to the backward direction after one full rotation.

Angular distribution for the elastic scattering of electrons from Ar+(3s^2 3p^5 ^2P) above the first inelastic threshold

The measured angular differential cross section (DCS) for the elastic scattering of electrons from Ar+(3s2 3p5 2P) at the collision energy of 16 eV is presented. By solving the Hartree-Fock equations, we calculate the corresponding theoretical DCS including the coupling between the orbital angular momenta and spin of the incident electron and those of the target ion and also relaxation effects. Since the collision energy is above one inelastic threshold for the transition 3s2 3p5 2P–3s 3p6 2S, we consider the effects on the DCS of inelastic absorption processes and elastic resonances. The measurements deviate significantly from the Rutherford cross section over the full angular range observed, especially in the region of a deep minimum centered at approximately 75°. Our theory and an uncoupled, unrelaxed method using a local, spherically symmetric potential by Manson [Phys. Rev. 182, 97 (1969)] both reproduce the overall shape of the measured DCS, although the coupled Hartree-Fock approach describes the depth of the minimum more accurately. The minimum is shallower in the present theory owing to our lower average value for the d-wave non-Coulomb phase shift s2, which is due to the high sensitivity of s2 to the different scattering potentials used in the two models. The present measurements and calculations therefore show the importance of including coupling and relaxation effects when accurately modeling electron-ion collisions. The phase shifts obtained by fitting to the measurements are compared with the values of Manson and the present method.

Differential cross section measurements for elastic scattering of electrons from Ar2+ and Xe2+

A crossed-beams energy-loss spectrometer has been used to investigate angular distributions for electron scattering from Ar2+ and Xe2+ ions, at a collision energy of 16 eV. For Ar2+ the measurements are compared with the predictions of a partial waves calculation based on a semi-empirical potential, where it is shown that the interference term governs the position of the observed minimum in the angular distribution.

Electron-ion scattering

Recent advances in the elucidation of electron-ion scattering phenomena is reviewed, with particular emphasis on the new generation of experiments where scattered electrons are analysed and detected, The sensitivity of measurements as a probe of collision dynamics, application to plasma studies, and future directions are considered.

Electron and laser interactions with positive ions

Recent progress in laboratory-based electron-ion scattering is reviewed, and the sensitivity of observed interference structure as a probe of collision dynamics is discussed. The extension of our use of positive ions as scattering targets to photon-ion interactions is demonstrated with the first ion-beam measurements for the fragmentation of a molecular ion, H-2(+), using intense femtosecond laser pulses.

Elastic scattering of electrons from argon ions

A crossed-beams energy-loss spectrometer has been used to investigate angular distributions for electron scattering from Ar2+ and Ar3+ ions, at a collision energy of 16 eV. Results are compared with the predictions of a partial waves calculation based on a semi-empirical potential, and with the classical Rutherford formula.

Determination of quenching coefficients in a hydrogen RF discharge by time-resolved optical emission spectroscopy

In gas discharges at elevated pressure, radiation-less collisional de-excitation (quenching) has a strong influence on the population of excited states. The knowledge of quenching coefficients is therefore important for plasma diagnostics and simulations. A novel time-resolved optical emission spectroscopic (OES) technique allows the measurement of quenching coefficients for emission lines of various species, particularly of noble gases, with molecular hydrogen as collision partner. The technique exploits the short electron impact excitation during the field reversal phase within the sheath region of a hydrogen capacitively coupled RF discharge at 13.56 MHz. Quenching coefficients can be determined subsequent to this excitation from the effective lifetime of the fluorescence decay at various hydrogen pressures. The measured quenching coefficients agree very well with results obtained by means of laser excitation. The time-resolved OES technique based on electron impact excitation is not limited - in contrast to laser techniques - by optical selection rules and the energy gap between the ground state and the observed excited level.

Speeds of sound and isentropic compressibilities of binary mixtures containing trialkylamines with alkanes and mono-alkylamines at 303.15 and 313.15 K

Isentropic compressibilities ?S, and excess isentropic compressibilities ?SE have been determined from measurements of speeds of sound u and densities ? of 14 binary mixtures of triethylamine (TEA) and tri-n-butylamine (TBA) with n-hexane, n-octane, iso-octane, n-propylamine, n-butylamine, n-hexylamine and n-octylamine. The relative magnitude and sign of ?SE have been interpreted in terms of molecular interactions and interstitial accommodation. The values of ?SE for TEA + alkane are positive while for TBA + alkane are negative. The values of ?SE for TEA + primary amine become progressively less positive and eventually to negative with the increase in chain length of alkylamine. In case of TBA + primary amine, the values of ?SE increase from n-propylamine to n-butylamine, and then decrease with chain length of primary amine. The experimental speeds of sound u have been analyzed in terms of collision factor theory, free length theory and Prigogine–Flory–Patterson statistical theory of solutions.

Speeds of sound, isentropic compressibilities, viscosities, and excess molar volumes of binary mixtures of alkanoates with tetra- and trichloromethanes at 303.15 K

Speeds of sound u, isentropic compressibilities ?S, viscosities ?, excess isentropic compressibilities ?SE, excess molar volumes VE, viscosity deviations ??, and excess Gibbs energies of activation ?G*E of viscous flow have been investigated for six binary mixtures of diethyl malonate, diethyl bromomalonate, and ethyl chloroacetate with tetra- and trichloromethane at 303.15 K. The values of ?SE, VE, ??, and ?G*E are highly dependent on the type of components involved and the composition curves are unsymmetrical. The results obtained for viscosity of binary mixtures were used to test the semi-empirical relations of Grunberg-Nissan, Tamura-Kurata, Hind-McLaughlin-Ubbelohde, Katti-Chaudhri, McAllister, Heric-Brewer and Auslaender. The experimental speeds of sound have been analyzed in terms of collision factor theory and free length theory of solutions.

Energy levels, radiative rates, and excitation rates for transitions in OIV

Aims. In this paper we report calculations for energy levels, radiative rates, and excitation rates for transitions in O IV. Methods. The grasp (general-purpose relativistic atomic structure package) and FAC (flexible atomic code) were adopted for calculating energy levels and radiative rates, and the Dirac atomic R-matrix code (DARC) used to determine the excitation rates. Results. Oscillator strengths and radiative rates are reported for all E1, E2, M1, and M2 transitions among the lowest 75 levels of O IV. Additionally, lifetimes are reported for all levels and comparisons made with those available in the literature. Finally, effective collision strengths are reported for all transitions over a wide temperature range below 106 K. Comparisons are made with earlier results and the accuracy of the data is assessed.

Radiative rates and electron impact excitation rates for H-like Ar XVIII

Aims. In this paper we report on calculations for energy levels, radiative rates, collision strengths, and effective collision strengths for
transitions among the lowest 25 levels of the n ≤ 5 configurations of H-like Ar xviii.
Methods. The general-purpose relativistic atomic structure package (grasp) andDirac atomic R-matrix code (darc) are adopted for
the calculations.
Results. Radiative rates, oscillator strengths, and line strengths are reported for all electric dipole (E1), magnetic dipole (M1), electric
quadrupole (E2), and magnetic quadrupole (M2) transitions among the 25 levels. Furthermore, collision strengths and effective
collision strengths are listed for all 300 transitions among the above 25 levels over a wide energy (temperature) range up to 800 Ryd
(107.4 K).

Comment on "Electron collisional excitation of argon-like Ni XI using the Breit-Pauli R-matrix method" [Eur. Phys. J. D 42, 235-241 (2007)] - Electron impact excitation of Ni XI

In a recent paper, Verma et al. [Eur. Phys. J. D 42, 235 (2007)] have reported results for energy levels, radiative rates, collision strengths, and effective collision strengths for transitions among the lowest 17 levels of the (1s(2)2s(2)2p(6))3s(2)3p(6), 3s(2)3p(5)3d and 3s3p(6)3d configurations of Ni XI. They adopted the CIV3 and R-matrix codes for the generation of wavefunctions and the scattering process, respectively. In this paper, through two independent calculations performed with the fully relativistic DARC (along with GRASP) and FAC codes, we demonstrate that their results are unreliable. New data are presented and their accuracy is assessed.

Enrichment and analysis of nonenzymatically glycated peptides: Boronate affinity chromatography coupled with electron-transfer dissociation mass spectrometry

Nonenzymatic glycation of peptides and proteins by D-glucose has important implications in the pathogenesis of diabetes mellitus, particularly in the development of diabetic complications. However, no effective high-throughput methods exist for identifying proteins containing this low-abundance posttranslational modification in bottom-up proteomic studies. In this report, phenylboronate affinity chromatography was used in a two-step enrichment scheme to selectively isolate first glycated proteins and then glycated, tryptic peptides from human serum glycated in vitro. Enriched peptides were subsequently analyzed by alternating electron-transfer dissociation (ETD) and collision induced dissociation ( CID) tandem mass spectrometry. ETD fragmentation mode permitted identification of a significantly higher number of glycated peptides (87.6% of all identified peptides) versus CID mode (17.0% of all identified peptides), when utilizing enrichment on first the protein and then the peptide level. This study illustrates that phenylboronate affinity chromatography coupled with LC-MS/MS and using ETD as the fragmentation mode is an efficient approach for analysis of glycated proteins and may have broad application in studies of diabetes mellitus.

The effect of obstacle position on reach-to-grasp movements

Numerous everyday tasks require the nervous system to program a prehensile movement towards a target object positioned in a cluttered environment. Adult humans are extremely proficient in avoiding contact with any non-target objects (obstacles) whilst carrying out such movements. A number of recent studies have highlighted the importance of considering the control of reach-to-grasp (prehension) movements in the presence of such obstacles. The current study was constructed with the aim of beginning the task of studying the relative impact on prehension as the position of obstacles is varied within the workspace. The experimental design ensured that the obstacles were positioned within the workspace in locations where they did not interfere physically with the path taken by the hand when no obstacle was present. In all positions, the presence of an obstacle caused the hand to slow down and the maximum grip aperture to decrease. Nonetheless, the effect of the obstacle varied according to its position within the workspace. In the situation where an obstacle was located a small distance to the right of a target object, the obstacle showed a large effect on maximum grip aperture but a relatively small effect on movement time. In contrast, an object positioned in front and to the right of a target object had a large effect on movement speed but a relatively small effect on maximum grip aperture. It was found that the presence of two obstacles caused the system to decrease further the movement speed and maximum grip aperture. The position of the two obstacles dictated the extent to which their presence affected the movement parameters. These results show that the antic ipated likelihood of a collision with potential obstacles affects the planning of movement duration and maximum grip aperture in prehension.

Electron impact excitation of S-like iron

Energy levels and radiative rates for transitions among the lowest 48 fine-structure levels belonging to the (1s(2) 2s(2) 2p (6)) 3s (2)3p (4) , 3s3p(5), 3s (2)3p (3) 3d and 3p(6) configurations of Fe xi have been calculated using the fully relativistic grasp code. Additionally, collision strengths for transitions among these levels have also been computed using the Dirac Atomic R-matrix Code (darc) of Norrington & Grant. Radiative rates and oscillator strengths are tabulated for all allowed transitions among the 48 fine-structure levels, while collision strengths are reported at three energies above thresholds, i.e. 8, 16 and 24 Ryd for a few representative transitions. Furthermore, excitation rates have been calculated in a wide electron temperature range below 5 x 10(6) K, and the contribution of resonances has been included in the threshold regions. Comparisons are made with the earlier available theoretical and experimental rates, and it is concluded that the experimental rates are overestimated by up to a factor of 2.