Search results for "SPECTRA"
showing 10 items of 3542 documents
Structural and Molecular Characterization of meso-Substituted Zinc Porphyrins: A DFT Supported Study
2011
Structural parameters of a range of over 100 meso-substituted zinc porphyrins were reviewed and compared to show how far the nature of the functional group may affect the interatomic distances and bond angles within the porphyrin core. It was proved that even despite evident deformations of the molecular structure, involving twisting of the porphyrin's central plane, the coupled π-bonding system remains flexible and stable. DFT calculations were applied to a number of selected porphyrins representative for the reviewed compounds to emphasize the relevance of theoretical methods in structural investigations of complex macrocyclic molecular systems. Experimental and DFT-simulated IR spectral …
The Modular X- and Gamma-Ray Sensor (MXGS)of the ASIM Payload on the International Space Station
2019
The Modular X- and Gamma-ray Sensor (MXGS) is an imaging and spectral X- and Gamma-ray instrument mounted on the starboard side of the Columbus module on the International Space Station. Together with the Modular Multi-Spectral Imaging Assembly (MMIA) (Chanrion et al. this issue) MXGS constitutes the instruments of the Atmosphere-Space Interactions Monitor (ASIM) (Neubert et al. this issue). The main objectives of MXGS are to image and measure the spectrum of X- and γ-rays from lightning discharges, known as Terrestrial Gamma-ray Flashes (TGFs), and for MMIA to image and perform high speed photometry of Transient Luminous Events (TLEs) and lightning discharges. With these two instruments sp…
Weed detection by aerial imagery : toward weed management by UAV
2016
The agricultural framework aims to reduce pesticide use on fields. Weed management, which is highly herbicide consuming, became a great issue. In order to develop a weed management service using UAV, this PhD dissertation studies how to adapt the acquisition system (UAV + multispectral camera) developed by AIRINOV to detect weeds in row crops. The acquisition chain was modeled to assess some of its parameters (optical filters and spatial resolution) impact on weed detection quality. Orthoimages and orthorectified images were created using a multispectral camera (4 to 8 filters) with 6 mm to 6 cm spatial resolutions. Several weed location methods were specifically developed to study multispe…
Electronic excited states of conjugated cyclic ketones and thioketones : A theoretical study
2002
Absorption spectra of a series of cyclic conjugated ketones and thioketones have been computed at the multiconfigurational second-order multistate perturbation level of theory, the CASSCF/MS-CASPT2 method. Excitation energies, transition dipole moments, oscillator strengths, and static dipole moments are reported and discussed for excited states with energies lower than ≈ 7–8 eV. The main bands of the spectra have been assigned and characterized in most cases for the first time. The spectroscopy of the different systems is compared in detail. Thioketones in particular have low-energy and intense ππ∗ transitions which suggest corresponding enhanced nonlinear molecular optical properties. Add…
Vibrational Dynamics of Histamine Monocation in Solution: An Experimental (FT-IR, FT-Raman) and Theoretical (SCRF-DFT) Study
2000
spectra of histamine monocation in solution, based on the isotopic shifts and a previous vibrational study in solid state. Force field and normal coordinate calculations were computed to support these assignments. The ab initio force constants were transformed into a set of locally symmetrized internal coordinates and subsequently scaled to the experimental frequencies by using one specific and two generic scaling factors. The comparison in terms of vibrational frequencies and normal coordinate descriptions supported most of the proposed assignments. The theoretical infrared spectra for the two isotopomers on the basis of the ab initio intensities also showed a good correlation with the exp…
Synthesis and characterization of novel bile-acid – heteroaryl conjugates with N-(2-aminoethyl)amido linker
2008
Abstract Four novel bile acid conjugates N-[2-([2,2′]-bithiophen-5-ylmethyl)aminoethyl]-3α-hydroxy-5β-cholan-24-amide (1), N-[2-([2,2′]-bithiophen-5-ylmethyl)aminoethyl]-3α,7α,12α-trihydroxy-5β-cholan-24-amide (2), N-[2-(1H-pyrrol-2-ylmethyl)aminoethyl]-3α-hydroxy-5β-cholan-24-amide (3), N-[2-(pyridin-2-ylmethyl)aminoethyl]-3α-hydroxy-5β-cholan-24-amide (4) have been synthesized in moderate to good yields, and their structures have been characterized by 1H, 13C, 13C DEPT-135, PFG 1H,13C HMQC, and PFG 1H,13C HMBC NMR spectra. Their molecular weights and elemental compositions have been determined by ESI-TOF mass spectrometry and elemental analyses. Crystal structure of 1 characterized with o…
Risk forecasting models and optimal portfolio selection
2005
This study analyses, from an investor's perspective, the performance of several risk forecasting models in obtaining optimal portfolios. The plausibility of the homoscedastic hypothesis implied in the classical Markowitz model is dicussed and more general models which take into account assymetry and time varying risk are analysed. Specifically, it studies whether ARCH-type based models obtain portfolios whose risk-adjusted returns exceed those of the classical Markowitz model. The same analysis is performed with models based on the Lower Partial Moment (LPM) which take into account the assymetry in the distribution of returns. The results suggest that none of the models achieve a clearly su…
Two-photon positron–electron annihilation in a strong magnetic field
2013
Abstract We consider the two-photon positron and electron annihilation in flight, it means the annihilating particles exhibit the middly relativistic momenta in a super strong magnetic field. Such particles are present in the corona of pulsars and magnetars. The paper presents how the total emission rate for the two-photon process is affected not only by magnetic field but also by the relativistic momentum of the annihilating particles. We found that the momenta influence significantly the total emission rate and the directions of the emitted photons. Additionally, the total emission for the two-photon process is comparable to that for the one-photon process at the momentum of annihilating …
Multicore optical fibres for astrophotonics
2011
We report progress towards multimode (MM) fibre filters for suppressing the OH emission that hinders ground-based observation of the early Universe. Fibre Bragg gratings (FBGs) can filter these narrow spectral lines in single-mode (SM) fibres [1]. Implementing them in MM fibres well-matched to astronomical instruments requires transitions between the MM fibre and several SM fibres [2]. Such hand-crafted “photonic lanterns” require many identical FBGs to be made and spliced in place. Instead we are pursuing the idea in multicore (MC) fibres, Fig. 1(a). The FBG is written at once in all the SM cores. The fibre is jacketed with low-index glass and tapered to form the core and cladding of a MM …
Structures optiques dissipatives en cavité laser à fibre
2011
This thesis presents a study of the nonlinear dissipative dynamics of localized of self organized structures in passively mode-locked fiber laser through nonlinear polarization evolution. We reveal the existence of a gradual transition from the quasi-cw to mode locked dynamics in the multi-pulsing regime. We emphasize on the intermediate state, where various new dynamics are observed. We study collective behaviors of dissipative solitons in the presence of a continuous background. One of the complex and attractive dynamics presented is the "soliton rain", which composed of three field components : continuous modes of background, drifting of solitons and condensed phase solitons. This dynami…