Computer simulations of signal transduction mechanism in {alpha}1B-adrenergic and m3-muscarinic receptors

Molecular dynamices simulations of the hamster _1Badrenergicand the rat m3-muscarinic seven-helix bundle receptor modelshave been carried out. The free, agonist-bound and antagonist-boundforms have been considered. Moreover, three mutant forms ofthe m3-muscarinic recep-tor (N507A, N507D and N507S) have alsobeen simulated; among these, the N507S mutant shows a constitutiveactivity. A comparative structural/dynamics analysis has beenperformed to elucidate (i) the perturbations induced by thefunctionally different ligands upon binding to their targetreceptor, (ii) the features of the three single-point mutantswith respect to the receptor wild type and (iii) the propertiesshared by the agonist-boundforms of the _1B-adrenergic receptorand the m3-muscarinic receptor and by the constitutively activemutant N507S. The consistency obtained between the structuralrearrangement of the transmembrane seven-helix bundle modelsconsidered, and the experimental pharmacological efficaciesof the ligands and of the mutants, constitute an important validationof the 3-D models obtained and allow the inference of the mechanismof ligand- or mutation-induced receptor activation at the molecularlevel.     

Determination of stratospheric aerosol microphysical properties from independent extinction and backscattering measurements with a Raman lidar

An algorithm that permits the retrieval of profiles of particle mass and surface-area concentrations in the stratospheric aerosol layer from independently measured aerosol (particle and Rayleigh) and molecule (Raman or Rayleigh) backscatter signals is developed. The determination is based on simultaneously obtained particle extinction and backscatter profiles and on relations between optical and microphysical properties found from Mie-scattering calculations for realistic stratospheric particle size distributions. The size distributions were measured with particle counters released on balloons from Laramie, Wyoming, between June 1991 and April 1994. Mass and surface-area concentrations can be retrieved with relative errors of 10-20% and 20-40%, respectively, with a laser wavelength of 355 nm and with errors of 20-30% and 30-60%, respectively, with a laser wavelength of 308 nm. Lidar measurements taken within the first three years after the eruption of Mt. Pinatubo in June 1991 are shown. Surface-area concentrations around 20 μm(2) cm(-3) and mass concentrations of 3 to 6 μg m(-3) were found until spring 1993.     

Improvement of differential optical absorption spectroscopy with a multichannel scanning technique

Differential optical absorption spectroscopy (DOAS) of atmospheric trace gases requires the detection of optical densities below 0.1%. Photodiode arrays are used more and more as detectors for DOAS because they allow one to record larger spectral intervals simultaneously. This type of optical multichannel analyzer (OMA), however, shows sensitivity differences among the individual photodiodes (pixels), which are of the order of 1%. To correct for this a sensitivity reference spectrum is usually recorded separately from the trace-gas measurements. Because of atmospheric turbulence the illumination of the detector while an atmospheric absorption spectrum is being recorded is different from the conditions during the reference measurement. As a result the sensitivity patterns do not exactly match, and the corrected spectra still show a residual structure that is due to the sensitivity difference. This effect usually limits the detection of optical densities to approximately 3 × 10(-4). A new method for the removal of the sensitivity pattern is presented in this paper: Scanning the spectrometer by small wavelength increments after each readout of the OMA allows one to separate the OMA-fixed pattern and the wavelength-fixed structures (absorption lines). The properties of the new method and its applicability are demonstrated with simulated spectra. Finally, first atmospheric measurements with a laser long-path instrument demonstrate a detection limit of 3 × 10(-5) of a DOAS experiment.     

Mode-selective dynamic light scattering: theory versus experimental realization

We present a quantitative experimental comparison of fiber-based, single- and few-mode dynamic light scattering with the classical pinhole-detection optics. The recently presented theory of mode-selective dynamic light scattering [Appl. Opt. 32, 2860 (1993)] predicts a collection efficiency and a signal-tobaseline ratio superior to that of a classical pinhole setup. These predictions are confirmed by our experiments. Using single-mode optical fibers with different cutoff wavelengths and commercially available mechanical components, we have constructed a mode-selective detection optics in a simple and compact dynamic light-scattering spectrometer that permits an optimal compromise between signal intensity and dynamical resolution.     

Developed profile of holographically exposed photoresist gratings

A simulation of the profile of holographically recorded structures in photoresists is performed. In addition to its simplicity this simulation can be used to take into account the effects that arise from exposure, photosensitization, development, and resolution of positive photoresists. We analyzed the effects of isotropy of wet development, nonlinearity of the photoresist response curve, background light, and standing waves produced by reflection at the film-substrate interface by using this simulation, and the results agree with the experimentally recorded profiles.     

Absolute interferometric distance measurement using a FM-demodulation technique

We propose an interferometric method for measuring absolute distances larger than the wavelength. A laser diode is used as a light source. The principle of operation is based on multiple-wavelength interferometry that uses a modulated light source. This method uses the fact that the wavelength of light emitted by the laser diode can be varied by means of the injection current. The modulation of the injection current in combination with the optical heterodyne technique causes a high-frequency phase-modulated detector signal. The phase deviation of the signal is a measure of the optical path difference in the interferometer. By FM demodulation of the detector output with a phase-locked loop demodulator, the optical path difference can be determined directly without the classical ambiguity problem of interferometry. The measuring range in the experiments was limited to 50 mm by the maximum travel range of the used specimen translation stage. Because of the inherent light sensitivity of the method described, the rangefinder can be used for three-dimensional profile measurements on a wide variety of objects, even on diffuse scattering surfaces.     

Compressive strength of coated rigid-rod polymer fibres

One limitation to the use of high-strength/high-modulus rigid-rod polymer fibres like poly-(p-phenylene benzobisthiazole) (PBZT) and poly-(p-phenylene benzobisoxazole) (PBZO) in composite structures is their low compressive strength. Various theories have been developed to predict compressive strength of rigid-rod fibres. In this study the critical buckling stress for rigid-rod fibres with stiff external coatings has been theoretically modelled assuming that the failure mode in compression is the microbuckling of the fibrils in shear. Our model predicts that significant improvement in fibre compressive strength will occur only when relatively thick coatings, with thickness to diameter (t/D) ratios in excess of > 0.05, are used. Experimentally measured compressive strength of aluminium coated PBZT fibres shows values in good agreement to the theory at t/D ratios of 0.006 and below. Factors related to the selection of suitable coating materials and problems associated with establishing coating performance are identified.Nomenclature P axial compressive load - P _f axial compressive load on the fibre - P _c axial compressive load on the coating - P _cr ⁱ critical buckling load in the ith case - _cr critical buckling stress - _co compressive strength of the uncoated fibre - _c compressive strength of the coated fibre - v(x) lateral deflection of a buckled fibril or coating - V _m amplitude of the lateral deflection in the mth mode - m number of half-sine waves in the deflection mode - x coordinate distance along axial direction - y coordinate distance along radial direction - coordinate distance along circumferential direction - l length of the buckling unit - N number of fibrils in the fibre - D fibre diameter - d fibril diameter - t coating thickness - I _f moment of inertia of the fibril - A _f cross-sectional area of the fibril - E _f tensile modulus of the fibre - E _c tensile modulus of the coating material - E tensile modulus of the coated fibre - G torsional shear modulus of the fibre - v_c Poisson's ratio of the coating material - _f density of the fibre - _c density of the coating material - density of the coated fibre - U _f strain-energy change in the fibre - U _c strain-energy change in the coating - T _f external work done on the fibre - T _c external work done on the coating - d/D - t/D