Sub‐picosecond Raman spectrometer for time‐resolved studies of structural dynamics in heme proteins

We describe a pump–probe Raman spectrometer based on a femtosecond Ti:sapphire laser, an optical parametric generator and two optical parametric amplifiers for time‐resolved studies, with emphasis on the structural dynamics in heme proteins. The system provides a 100‐fs pump pulse tunable in the range 500–600 nm and a transform‐limited sub‐picosecond probe pulse tunable in the range 390–450 nm. The spectrometer has spectral (25 cm⁻¹) and temporal (∼0.7 ps) resolutions which constitute an effective compromise for identifying transient heme protein species and for following their structural evolution by spontaneous Raman scattering in the time range 0.5 ps to 2 ns. This apparatus was applied to time‐resolved studies of a broad range of heme proteins, monitoring the primary dynamics of photoinduced heme coordination state and structural changes, its interaction with protein side‐chains and diatomic gaseous ligands, as well as heme vibrational cooling. The treatment of transient Raman spectra is described in detail, and the advantages and shortcomings of spontaneous resonance Raman spectroscopy for ultrafast heme proteins studies are discussed. We demonstrate the efficiency of the constructed spectrometer by measuring Raman spectra in the sub‐picosecond and picosecond time ranges for the oxygen‐storage heme protein myoglobin and for the oxygen‐sensor heme protein FixLH in interaction with the diatomic gaseous ligands CO, NO, and O₂. Copyright © 2010 John Wiley & Sons, Ltd.     

Analytical derivation of a formula for the reduction of computation time by the voxel crossing technique used in room acoustical simulation

Computation times of room acoustical simulation algorithms still suffer from the time consuming search for ray-wall-intersections. Spatial subdivision may speed up ray tracing considerably. For room acoustics, where the number of surface polygons (walls) is not so high, the voxel technique appears suitable. The voxel crossing algorithm is very fast. However, its performance was not yet investigated up to now. Voxels are small cubes by which the space is subdivided periodically. The advantage: Only in the rare case a voxel intersects a wall the intersection point needs to be computed. In this paper, by estimating the probabilities of such intersections, an analytical formula is derived, by which the optimum degree of spatial subdivision and the factor of acceleration of the algorithm can be forecasted. It turns out that the computation time increases only with instead of with K₀ (the number of polygons of the room). Thus, on a modern PC, computation time for a full room acoustical simulation even for highly complicated rooms may be reduced by a factor in the order of 100, i.e. to a few seconds.     

Bimodal growth of Au on SrTiO3(001)

We have investigated the vapor phase growth of Au on SrTiO3(001)-(2 x 1) substrates by UHV scanning tunneling microscopy. Submonolayer (ML) coverages below 300 degrees C wet the surface as disordered metastable 2D islands. Beyond 0.75 ML fcc nanocrystals with a (111) interface are nucleated and ripen by dewetting the surrounding layer. Some multiply twinned fivefold symmetric clusters are also created. Above 400 degrees C dewetting occurs for all coverages and the surface is only populated by nanocrystals and fivefold clusters. A planar ground state configuration for small Au clusters and a higher interface energy for crystals than for wetted 2D ML films explains these results.     

Performance analysis of 1300 nm SLEDs – impact of temperature and length scaling

The impact of self-heating and cavity length on the spectral emission properties of SLEDs is investigated using a state-of-the-art simulation tool. Simulated data are compared to measurements for two InP-based benchmark devices operating around 1300 nm, and excellent agreement is achieved in either case.     

Equation of state of CaMnO3: a combined experimental and computational study

Elastic properties of CaMnO₃ are of primary importance in the science and technology of CaMnO₃-based perovskites. From X-ray diffraction experiments performed at pressures up to 100 kbar using a diamond-anvil cell to hydrostatically compress our sample, a bulk modulus, K ₀, of 1734(96) kbar was obtained after fitting parameters to the third-order Birch–Murnaghan equation of state. Mean field, semiclassical simulations predict, for the first time, the third-order equation-of-state parameters and show how the bulk modulus increases with pressure (the zero pressure value being 2062.1 kbar) and decreases with the extent of nonstoichiometry caused by the formation of oxygen vacancies. These trends are amplified for the shear modulus. A more accurate model that allows for the explicit reduction of Mn ions, or localization of excess electrons, yields qualitatively similar results. The experimental and calculated axial ratios show the same trends in their variation with rising pressure.     

Superfluid-insulator transition in a periodically driven optical lattice

We demonstrate that the transition from a superfluid to a Mott insulator in the Bose-Hubbard model can be induced by an oscillating force through an effective renormalization of the tunneling matrix element. The mechanism involves adiabatic following of Floquet states, and can be tested experimentally with Bose-Einstein condensates in periodically driven optical lattices. Its extension from small to very large systems yields nontrivial information on the condensate dynamics.     

Negative thermal expansion in ZrW2O8: mechanisms, rigid unit modes, and neutron total scattering

The local structure of the low-temperature ordered phase of the negative thermal expansion (NTE) material has been investigated by reverse Monte Carlo (RMC) modeling of neutron total scattering data. We obtain, for the first time, quantitative measurements of the extent to which the and polyhedra move as rigid units, and we show that these values are consistent with the predictions of rigid unit mode theory. We suggest that rigid unit modes are associated with the NTE. Our results do not support a recent interpretation of x-ray-absorption fine structure spectroscopy data in terms of a larger rigid structural component involving the Zr-O-W linkage.     

Direct laser written waveguide-Bragg gratings in bulk fused silica

Optical waveguides that incorporate Bragg gratings have been written in bulk fused silica by using the femtosecond laser direct-write method and without the need for lithography or ion-beam techniques. A single manufacturing process is used to create waveguide-Bragg grating reflectors for operation in the C band.