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101.
Sandgren N Stoica P Frigo FJ 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2006,183(1):50-59
We consider the problem of parametric spectral analysis of two-dimensional (2D) magnetic resonance spectroscopy (MRS) data. Estimating the signal components from 2D MRS data is becoming common practice in many clinical MR applications. The most frequently used signal processing tool for this estimation problem is the non-parametric 2D-FFT. There are several alternative parametric methods available to perform this analysis, yet their computational complexity is generally rather high and it becomes prohibitive when the number of points in the measured data matrix is large. In this paper, we propose a novel signal parameter estimation technique which operates on a pre-specified sub-area of the 2D spectrum. This area-selective approach can be used either to estimate only the signal components of main interest in the data, or to compute signal parameter estimates of all present signal components as the computational burden for each sub-area is low. In the numerical example section we consider both simulated data and in vitro 1H data acquired from a 1.5 T MR scanner. 相似文献
102.
M.J. Evans C. Petre P.R. Medwell A. Parente 《Proceedings of the Combustion Institute》2019,37(4):4497-4505
Moderate or intense low oxygen dilution (MILD) combustion has been the focus of a range of fundamental experimental and numerical studies. Reasonable agreement between experimental and numerical investigations, however, requires finite-rate chemistry models and, often, ad hoc model adjustment. To remedy this, an adaptive eddy dissipation concept (EDC) combustion model has previously been developed to target conditions encountered in MILD combustion; however, this model relies on a simplified, pre-defined assumption about the combustion chemistry. The present paper reports a generalised version of the modified EDC model without the need for an assumed, single-step chemical reaction or ad hoc coefficient tuning. The results show good agreement with experimental measurements of two CH4/H2 flames in hot coflows, showing improvements over the standard EDC model as well as the previously published modified EDC model. The updated version of the EDC model also demonstrates the capacity to reproduce the downstream transition in flame structure of a MILD jet flame seen experimentally, but which has previously proven challenging to capture computationally. Analyses of the previously identified dominant heat-release reactions provide insight into the structural differences between a conventional autoignitive flame and a flame in the MILD combustion regime, whilst highlighting the requirement for a generalised EDC combustion model. 相似文献
103.
Sandgren N Selén Y Stoica P Li J 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2004,168(2):13-272
Accurate quantitation of the spectral components in a pre-selected frequency band for magnetic resonance spectroscopy (MRS) signals is a frequently addressed problem in the MR community. One obvious application for such a frequency-selective technique is to lower the computational burden in situations when the measured data sequence contains too many samples to be processed using a standard full-spectrum method. Among the frequency-selective methods previously proposed in the literature, only a few possess the two features of primary concern: high robustness against interferences from out-of-band components and low computational complexity. In this survey paper we consider five spectral analysis methods which can be used for MRS signal parameter estimation in a selected frequency band. We re-derive the filter diagonalization method (FDM) in a new way that allows an easy comparison to the other methods presented. Then we introduce a frequency-selective version of the method of direction estimation (MODE) which has not been applied to MR-spectroscopy before. In addition, we present a filtering and decimation technique using a maximum phase bandpass FIR-filter and relate it to a similar ARMA-modeling approach known as SB-HOYWSVD (sub-band high-order Yule-Walker singular value decomposition). Finally, we study the numerical performances of these four methods and compare them to that of the recently introduced SELF-SVD (Singular Value Decomposition-based method usable in a SELected Frequency band) in several examples using simulated MR data, and discuss the benefits and disadvantages of each technique. 相似文献
104.
Dmitriy Khoroshev Przemyslaw Kolek Petre Birza Andrei Chirokolava John P. Maier 《Journal of Molecular Spectroscopy》2004,227(1):81-89
Rotationally resolved electronic spectrum of the origin band in the 2A″-X2A″ transition of a nonlinear carbon chain radical C6H4+ has been recorded in the 604 nm region using cw cavity ring down spectroscopy. The radical was produced by a discharge through an acetylene-helium mixture in a supersonic planar expansion. The rotational structure has been analysed and precisely determined. A band having a-type prolate rotational structure has also been observed near 581 nm. By considering the results of ab initio calculations this band is assigned to a transition involving the excitation of the ν12 fundamental in the upper 2A″ electronic state of the same C6H4+ isomer. 相似文献
105.
106.
107.
Aurora Reiss Mariana Carmen Chifiriuc Emilia Amzoiu Nicoleta Cioateră Irina Dăbuleanu Petre Rotaru 《Journal of Thermal Analysis and Calorimetry》2018,131(3):2073-2085
Complexes of Co(II), Ni(II) and Cu(II) with the Schiff base (LH) derived from ceftazidime and salicylaldehyde were synthesized. The proposed structures of the new metal complexes based on the results of elemental analyses, molar conductivity, IR, DRUV and 1H NMR spectra, effective magnetic moment and thermal analysis were discussed. The surface morphology of Schiff base and metal complexes was studied by SEM. The composition of the metal complexes was ML2, where L is the deprotonated Schiff base ligand and M = Co(II), Ni(II) and Cu(II). IR spectral data indicated the Schiff base ligand being bidentately coordinated to the metallic ions with N and O atoms from azomethine and phenolic groups. All the complexes have square-planar geometry and are nonelectrolytes. The thermal analysis recorded that TG, DTG, DTA and DSC experiments confirmed the assigned composition and gave information about the thermal stability of complexes in dynamic air atmosphere. Theoretical investigation of the molecular structure of Schiff base ligand and its complexes was studied using programs dedicated to chemical modeling and quantomolecular calculation of chemical properties. The newly synthesized complexes were tested for in vitro antibacterial activity against selected Gram-negative and Gram-positive bacterial strains, and they exhibited an antibacterial activity superior to that of the Schiff base ligand. 相似文献
108.
Tero Harju Ion Petre Vladimir Rogojin Grzegorz Rozenberg 《Discrete Applied Mathematics》2008,156(14):2581-2597
The intramolecular model for gene assembly in ciliates considers three operations, , , and that can assemble any gene pattern through folding and recombination: the molecule is folded so that two occurrences of a pointer (short nucleotide sequence) get aligned and then the sequence is rearranged through recombination of pointers. In general, the sequence rearranged by one operation can be arbitrarily long and consist of many coding and noncoding blocks. We consider in this paper simple variants of the three operations, where only one coding block is rearranged at a time. We characterize in this paper the gene patterns that can be assembled through these variants. Our characterization is in terms of signed permutations and dependency graphs. Interestingly, we show that simple assemblies possess rather involved properties: a gene pattern may have both successful and unsuccessful assemblies and also more than one successful assembling strategy. 相似文献
109.
Petre A. L. Auroux A. Gervasini A. Caldararu M. Ionescu N. I. 《Journal of Thermal Analysis and Calorimetry》2001,64(1):253-260
The surface properties of supported gallium oxide catalysts prepared by impregnation of various supports (γ-Al2O3, SiO2, TiO2, ZrO2) were investigated by adsorption microcalorimetry, using ammonia and water as probe molecules. In the case of acidic supports
(γ-Al2O3, ZrO2, TiO2), the acidic character of supported gallium catalysts always decreased in comparison with gallium-free supports; on very
weakly acidic SiO2, new acidic centers were created when depositing Ga2O3. The addition of gallium oxide decreased the hydrophilic properties of alumina, titania and zirconia, but increased the amount
of water adsorbed on silica. The catalytic performances in the selective catalytic reduction of NO by C2H4 in excess oxygenwere in the order Ga/Al2O3>Ga/TiO2>Ga/ZrO2>>Ga/SiO2. This order is more related to the quality of the dispersion of Ga2O3 on the support than to the global acidity of the solids.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
110.
The thermal degradation of a sort of polyvinyl chloride was investigated. Complex processes for polyvinyl chloride degradation
were evidenced. The kinetic analysis of dehydrochlorination and of subsequent processes was carried out. A change of mechanism
was detected when dehydrochlorination goes to completion. The values of non-isothermal kinetic parameters determined by various
methods are in a satisfactory agreement. The obtained results allowed some clarifications concerning the thermal degradation
steps.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献