Search results for " Spectra"
showing 10 items of 709 documents
DFT and experimental studies on structure and spectroscopic parameters of 3,6-diiodo-9-ethyl-9H-carbazole
2015
The first report on crystal and molecular structure of 3,6-diiodo-9-ethyl-9H-carbazole is presented. Experimental room-temperature X-ray and 13C chemical shift studies were supported by advanced theoretical calculations using density functional theory (DFT). The 13C nuclear magnetic shieldings were predicted at the non-relativistic and relativistic level of theory using the zeroth-order regular approximation (ZORA). Theoretical relativistic calculations of chemical shifts of carbons C3 and C6, directly bonded to iodine atoms, produced a reasonable agreement with experiment (initial deviation from experiment of 44.3 dropped to 4.25 ppm). The changes in ring aromatic character via simple harm…
Molecular modeling and experimental studies on structure and NMR parameters of 9-benzyl-3,6-diiodo-9H-carbazole
2015
A combined experimental and theoretical study has been performed on 9-benzyl-3,6-diiodo-9H-carbazole. Experimental X-ray (100.0 K) and room-temperature 13C NMR studies were supported by advanced density functional theory (DFT) calculations. The non relativistic structure optimization was performed and the 13C nuclear magnetic shieldings were predicted at the relativistic level of theory using the Zeroth Order Regular Approximation (ZORA). The changes in the benzene and pyrrole rings compared to the unsubstituted carbazole or the parent molecules were discussed in terms of aromaticity changes using the harmonic oscillator model of aromaticity (HOMA) and the nucleus independent chemical shift…
Liposomes as nonspecific nanocarriers for 5-Fluorouracil in the presence of cyclodextrins
2021
Abstract 5-Fluorouracil (5-FU) is one of anticancer drugs with broad activity. Due to its severe side effects, recent studies concentrate on new ways of directed 5-FU delivery and its release in ill tissue. One of selective carriers could be cyclodextrins and liposomes. The combination of novel methods, leading to formation of inclusion complexes (IC) between host molecule of β-cyclodextrin (β-CD) or 2-hydroxypropyl-β-cyclodextrin (HP-β-CD) and 5-FU guest and its subsequent encapsulation in dipalmitoylphosphatidylcholine (DPPC) liposomes is studied experimentally in the present work. Several methods are applied to proof the encapsulation of the analysed drug and its release over time at 37 …
Study of a plasma generated in metal surface treatment by laser ablation in air : characterisations of induced radiation and nanoparticules
2015
The interaction of a laser beam of short pulse duration with metallic materials such as aluminum, iron or titanium is characterized by the presence of a high energy and strongly ionized plume (plasma). The aim of this study is to understand the mechanisms involved in plasma, created when laser-target interaction, which lead to the formation of nanoparticles. We would generally consider the dynamic expansion in the air of the plasma plume formed with a nanosecond Nd:YAG laser to specify the conditions of formation of these particles and their morphological and structural characteristics. Thus, this work is divided onto two parts. In the first part, we present the experimental characterizatio…
Radioluminescence, thermoluminescence and dosimetric properties of ZnO ceramics
2017
The authors gratefully acknowledge the financial support for this work from research grant ERA.NET RUS Plus Nr.609556 and from the SFERA II project Transnational Access activities (EU 7th Framework Programme Grant Agreement no 312643) for supporting ZnO nanopowders preparation.
Red and Far-Red Fluorescence Emission Retrieval from Airborne High-Resolution Spectra Collected by the Hyplant-Fluo Sensor
2018
The contribution presents the development and testing of a fluorescence retrieval scheme based on the ESA's FLuorescence EXplorer mission concept. The algorithm employs on a coupled surface-atmosphere forward model at oxygen absorption bands: i) the atmospheric effect is computed by MODTRAN5; ii) the surface reflectance and fluorescence are modeled by means of the Spectral Fitting approach. The algorithm, previously tested on numerical simulations, was further implemented and optimized to process real observations collected by the FLEX airborne demonstrator HyPlant. The retrieval scheme has been tested on a number of flight lines collected in several locations, different ecosystems types, a…
Electron Emission of Pt: Experimental Study and Comparison With Models in the Multipactor Energy Range
2016
Experimental data of secondary emission yield (SEY) and electron emission spectra of Pt under electron irradiation for normal incidence and primary energies lower than 1 keV are presented. Several relevant magnitudes, as total SEY, elastic backscattering probability, secondary emission spectrum, and backscattering coefficient, are given for different primary energies. These magnitudes are compared with theoretical or semiempirical formulas commonly used in the related literature.
Double β Decay and the Axial Strength
2019
Quenching of the weak axial strength gA is discussed and relations of this quenching to the nuclear matrix elements of double beta decays are highlighted. An analysis of Gamow-Teller transitions in the mass range A = 62 − 142 is presented and its results are compared with those of many previous works. The enhancement of the axial charge is discussed for first-forbidden pseudoscalar β transitions. Higher-forbidden β transitions are introduced and their role in determining the effective value of gA is examined, in particular from the point of view of the β-decay half-lives and the shapes of electron spectra of forbidden non-unique β transitions. peerReviewed
Value of the Axial-Vector Coupling Strength in β and ββ Decays : A Review
2017
In this review the quenching of the weak axial-vector coupling constant, $g_{\rm A}$, is discussed in nuclear $\beta$ and double-$\beta$ decays. On one hand, the nuclear-medium and nuclear many-body effects are separated, and on the other hand the quenching is discussed from the points of view of different many-body methods and different $\beta$-decay and double-$\beta$-decay processes. Both the historical background and the present status are reviewed and contrasted against each other. The theoretical considerations are tied to performed and planned measurements, and possible new measurements are urged, whenever relevant and doable. Relation of the quenching problem to the measurements of …
The homotopy Leray spectral sequence
2018
In this work, we build a spectral sequence in motivic homotopy that is analogous to both the Serre spectral sequence in algebraic topology and the Leray spectral sequence in algebraic geometry. Here, we focus on laying the foundations necessary to build the spectral sequence and give a convenient description of its $E_2$-page. Our description of the $E_2$-page is in terms of homology of the local system of fibers, which is given using a theory similar to Rost's cycle modules. We close by providing some sample applications of the spectral sequence and some hints at future work.