Mononuclear and Dinuclear Copper Complexes of Tridentate Redox-active Ligands with Tunable H-bonding Donors: Structure,Spectroscopy and H+/e− Reactivity

In this research article, we describe the synthesis and characterization of mononuclear and dinuclear Cu complexes bound by a family of tridentate redox-active ligands with tunable H-bonding donors. The mononuclear Cu-anion complexes were oxidized to the corresponding “high-valent” intermediates by oxidation of the redox-active ligand. These species were capable of oxidizing phenols with weak O−H bonds via H-atom abstraction. Thermodynamic analysis of the H-atom abstractions, which included reduction potential measurements, pK_a determination and kinetic studies, revealed that modification of the anion coordinated to the Cu and changes in the H-bonding donor did not lead to major differences in the reactivity of the “high-valent” CuY complexes (Y: hydroxide, phenolate and acetate), which indicated that the tridentate ligand scaffold acts as the H⁺ and e⁻ acceptor.     

Lagrangian and Eulerian models for simulating turbulent dispersion and coalescence of droplets within a spray

Lagrangian and Eulerian modelling approaches are compared for simulating turbulent dispersion and coalescence of droplets within a spray. Both models predict similar droplet dispersion rates and shifts in droplet size distribution due to coalescence within the spray, over a wide range of droplet and gas flows, and for sprays with different droplet-size distributions at the nozzle exit. The computer time required for simulating coalescence within a steady axisymmetric spray is of a similar order of magnitude regardless of which formulation, Eulerian or Lagrangian, is adopted. However, the Lagrangian formulation is more practical in terms of the range of applicability and ease of implementation.     

Development of a parallel storm surge model

A new parallel storm surge model, the Parallel Environmental Model (PEM), is developed and tested by comparisons with analytic solutions. The PEM is a 2‐D vertically averaged, wetting and drying numerical model and can be operated in explicit, semi‐implicit and fully implicit modes. In the implicit mode, the propagation, Coriolis and bottom friction terms can all be treated implicitly. The advection and diffusion terms are solved with a parallel Eulerian–Lagrangian scheme developed for this study. The model is developed specifically for use on parallel computer systems and will function accordingly in either explicit of implicit modes. Storm boundary conditions are based on a simple exponential decay of pressure from the centre of a storm. The simulated flooding caused by a major Category 5 hurricane making landfall in the Indian River Lagoon, Florida is then presented as an example application of the PEM. Copyright © 2003 John Wiley & Sons, Ltd.     

Phase Transitions in Traffic Models

It is suggested that the question of existence of a jamming phase transition in a broad class of single-lane cellular-automaton traffic models may be studied using a correspondence to the asymmetric chipping model. In models where such correspondence is applicable, jamming phase transition does not take place. Rather, the system exhibits a smooth crossover between free-flow and jammed states, as the car density is increased.     

Magnetic resonance findings in sarcoidosis of the thorax.

Fifteen patients with sarcoidosis underwent thoracic MRI examinations. The T2 signal intensity of lymphadenopathy varied, with no characteristic pattern noted. Three of four patients with bright lymph nodes on T2 images had stage I sarcoidosis, but low intensity nodes were also seen in stage I patients. Coronal images were complementary to axial images and better depicted subcarinal adenopathy. MRI does not distinguish the lymphadenopathy of sarcoidosis from other entities, but is useful for defining the anatomic extent of disease and differentiating pulmonary artery enlargement from adenopathy.     

Three-loop relation of quark\overline {MS} and pole masses

We calculate, exactly, the next-to-leading correction to the relation between the \(\overline {MS} \) quark mass, \(\bar m\) , and the scheme-independent pole mass,M, and obtain $$\begin{gathered} \frac{M}{{\bar m(M)}} \approx 1 + \frac{4}{3}\frac{{\bar \alpha _s (M)}}{\pi } + \left[ {16.11 - 1.04\sum\limits_{i = 1}^{N_F - 1} {(1 - M_i /M)} } \right] \hfill \\ \cdot \left( {\frac{{\bar \alpha _s (M)}}{\pi }} \right)^2 + 0(\bar \alpha _s^3 (M)), \hfill \\ \end{gathered} $$ as an accurate approximation forN _F?1 light quarks of massesM _i <M. Combining this new result with known three-loop results for \(\overline {MS} \) coupling constant and mass renormalization, we relate the pole mass to the \(\overline {MS} \) mass, \(\bar m\) (μ), renormalized at arbitrary μ. The dominant next-to-leading correction comes from the finite part of on-shell two-loop mass renormalization, evaluated using integration by parts and checked by gauge invariance and infrared finiteness. Numerical results are given for charm and bottom \(\overline {MS} \) masses at μ=1 GeV. The next-to-leading corrections are comparable to the leading corrections.