Linear absorbing boundary conditions for surface water wave propagation

Summary The meaning of linear absorbing boundary conditions for periodic water waves in elliptical approaches is discussed. It is found that the direction of propagation of the waves must be known for reliable boundary conditions and that the energy dissipation of waves running parallel to a boundary in general cannot be modelled in the framework of a linear theory. Work presented at the Euromech Colloquium 240 on ?Dispersive waves in dissipative fluids?, Bologna, August 30–September 2, 1988.     

New example of a non-heme mononuclear iron(IV) oxo complex. Spectroscopic data and oxidation activity

The green complex S=1 [(TPEN)FeO]2+ [TPEN=N,N,N',N'-tetrakis(2-pyridylmethyl)ethane-1,2-diamine] has been obtained by treating the [(TPEN)Fe]2+ precursor with meta-chloroperoxybenzoic acid (m-CPBA). This high-valent complex belongs to the emerging family of synthetic models of Fe(IV)=O intermediates invoked during the catalytic cycle of biological systems. This complex exhibits spectroscopic characteristics that are similar to those of other models reported recently with a similar amine/pyridine environment. Thanks to its relative stability, vibrational data in solution have been obtained by Fourier transform infrared. A comparison of the Fe=O and Fe=(18)O wavenumbers reveals that the Fe-oxo vibration is not a pure one. The ability of the green complex to oxidize small organic molecules has been studied. Mixtures of oxygenated products derived from two- or four-electron oxidations are obtained. The reactivity of this [FeO]2+ complex is then not straightforward, and different mechanisms may be involved.     

Pigment-Protein Interactions in the Antenna-Reaction Center Complex of Heliobacillus mobilis

Membrane fragments of Heliobacillus (Hc.) mobilis were characterized using resonance Raman (RR) spectroscopy in order to determine the configuration of the neurosporene carotenoid, the pigment-protein interactions of the bacteriochlorophyll (BChl) g molecules, and the Chl a-like chlorin pigments present in the antenna-reaction center complex constituting the photosynthetic apparatus. Using 363.8 nm excitation, the Raman contributions of the BChl g molecules were selectively resonantly enhanced over those of the carotenoid and the Chl a-like chlorin pigments. The RR spectrum of BChl g in these membranes excited at 363.8 nm exhibits bands at 1614 and 1688 cm^?1, which correspond to a C_aC_m methine bridge stretching mode and a keto carbonyl group stretching mode, respectively. Both of these bands are 16 cm^?1 wide (full width at half maximum, FWHM), indicating that a sole population of BChl g molecules is being enhanced at this excitation wavelength. The observed frequency of the C_aC_m stretching mode (1614 cm^?1) indicates that the bulk of BChl g molecules is pentacoordinated with only one axial ligand to the central Mg atom while that of the keto carbonyl stretching mode (1668 cm^?1) indicates that these groups are engaged in a hydrogen bond. This homogeneous population of BChl g molecules bound to the heliobacterial core polypeptides is in contrast to the heterogeneous population of Chl a molecules bound to the core polypeptides of the reaction center of photosystem I of Synechocystis 6803 as observed by the inhomogeneously broadened C₉ keto carbonyl band in its RR spectrum. The RR spectrum of the Chl a-like chlorin pigments in Hc. mobilis excited at 441.6 nm exhibits a broad keto carbonyl band (43 cm^?1 FWHM) with components at 1665, 1683 and 1695 cm^?1, indicating several populations of these pigments differing in their protein interactions at the level of the keto carbonyl group. Fourier transform (FT) pre-RR spectroscopic measurements of intact whole cells and membrane fragments at room temperature using 1064 nm excitation indicate that high quality vibrational spectra of the BChl g molecules can be obtained with no photodegradation. Low-temperature FT Raman spectra excited at 1064 nm reveals an inhomogeneously broadened 1665 cm^?1 band corresponding to the C₉ keto carbonyl stretching mode. Spectral deconvolution and second derivative analysis of this band reveal that it is comprised of components at 1665, 1682 and 1695 cm^?1, the latter two most likely arising from BChl g photoconversion products. Excitation using 885 nm to enhance the preresonance effect of the BChl g molecules yields an FT Raman spectrum where the keto carbonyl band at 1665 cm^?1 is narrow, as is the case in the Soret RR spectra, reflecting a sole population of BChl g molecules, which are engaged in an H bond. The RR spectrum of the neurosporene molecule in Hc. mobilis membranes excited at 496.5 nm is compared to that of 1,2-dihydroneurosporene bound in a cis configuration in reaction centers of Rhodopseudomona viridis and to that of the same carotenoid in its all-trans configuration extracted from these reaction centers in the presence of light. The similarity of this latter RR spectrum with that of neurosporene in the Hc. mobilis membranes indicates that it is bound in an all-trans configuration.     

Numerical simulation of acoustic holography with propagator adaptation: Application to a 3D disc

Acoustical holography can be used to identify the vibration velocity of an extended vibrating body. Such an inverse problem relies on the radiated acoustic pressure measured by a microphone array and on an a priori knowledge of the way the body radiates sound. Any perturbation on the radiation model leads to a perturbation on the velocity identified by the inversion process. Thus, to obtain the source vibration velocity with a good precision, it is useful to identify also an appropriate propagation model. Here, this identification, or adaptation, procedure rests on a geometrical interpretation of the acoustic holography in the objective space (here the radiated pressure space equipped with the L²-norm) and on a genetic algorithm.The propagator adaptation adds information to the holographic process, so it is not a regularisation method, which approximates the inverse of the model but does not affect the model. Moreover regularisations act in the variables space, here the velocities space. It is shown that an adapted model significantly decreases the quantity of regularisation needed to obtain a good reconstructed velocity, and that model adaptation improves significantly the acoustical holography results.In the presence of perturbations on the radiated pressure, some indications will be given on the interest or not to adapt the model, again thanks to the geometrical interpretation of holography in the objective space.As a numerical example, a disc whose vibration velocity on one of its sides is identified by acoustic holography is presented. On an industrial scale, this problem occurs due to the noise radiated by car wheels. The assessment of the holographic results has not yet been rigorously performed in such situations due to the complexity of the wheel environment made up of the car body, road and rolling conditions.     

Experimental evidence of transversal oscillations in a sea-connected rectangular basin

The response of a rectangular basin along a straight, perfectly reflecting coastline, subject to monochromatic waves coming either normally or obliquely from the sea, was investigated theoretically and experimentally.While the theoretical analysis allowed recognition of various kinds of longitudinal and transversal oscillations and their properties as a function of the geometrical dimensions of the basin, wave length and wave incidence, the experimental investigation confirmed, both for normal and oblique incidence, the validity of the theoretical results and particularly the importance of the transversal oscillations.     

Superconducting nano-striplines as quantum detectors

The recent progress in the nanofabrication of superconducting films opens the road toward detectors with highly improved performances. This is the case for superconducting nano-striplines where the thickness and the width are pushed down to the extreme limits to realize detectors with unprecedented sensitivity and ultra fast response time. In this way quantum detectors for single photons at telecommunication wavelengths and for macromolecules such as proteins can be realized. As is often the case in applied nanotechnology, it is a challenge to make devices with the necessary macroscopic dimensions that are needed to interface present technologies, while maintaining the performance improvements. For nano-stripline detectors, both the fast temporal response and the device sensitivity is generally degraded when the area is increased. Here, we present how such detectors can be scaled up to macroscopic dimensions without losing the performance of the nano-structured active elements by using an innovative configuration. In order to realize ultrathin superconducting film the nano-layer is growth with a careful setup of the deposition technique which guarantees high quality and thickness uniformity at the nano-scale size. The active nano-strips are defined with the state-of-the-art electron beam nanolithography to achieve a highly uniform linewidth. We present working detectors based on nano-strips with thicknesses 9–40 nm and widths of 100–1000 nm which exhibit unprecedented speed and area coverage (40 × 40 μm² for single photon detectors and 1 × 1 mm² for single molecule detectors) based on niobium nitride thus enabling practical use of this nanotechnology.     

Substrateless micrometric metal mesh for mid-infrared plasmonic sensors

We report on the fabrication and optical properties of thin metal films periodically patterned with square hole arrays of 2 micron pitch, which behave as substrateless plasmonic devices at mid-infrared frequencies. Large (3×3 mm²) meshes were fabricated by metallizing a patterned silicon nitride membrane. The mid-infrared spectra display resonant absorption lines with a Q-factor up to 22 in both transmission and reflection, due to the interaction of the radiation with surface plasmon modes on both faces of the film, allowed by substrate removal. The devices can be used to fabricate surface plasmon-based chemical sensors employing mid-infrared radiation.     

Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results

Ab initio molecular dynamics simulations of a recently proposed cobalt-based catalyst for water oxidation provide insight into the properties of protons at the water/oxide interface. Calculations and X-ray absorption spectroscopy data indicate a cubane-like structure of the catalyst, support the occurrence of protonated μ(2)-O atoms, suggest deprotonated μ(3)-O atoms and the presence of sites promoting low-barrier hydrogen bonds.