Search results for "Matrix"
showing 10 items of 3205 documents
HC-SCR of NOx over Ag/alumina: a combination of heterogeneous and homogeneous radical reactions?
2005
Matrix isolation combined with EPR and FT-IR technique at low temperature has been used to study the gas phase species involved in HC-SCR over a highly active Ag/alumina catalyst. A combination of heterogeneous and homogeneous (radical) reactions is proposed to take place over a Ag/alumina catalyst during HC-SCR. Radicals of low molecular weight were trapped in a growing argon matrix behind the Ag/alumina catalyst. In the same matrix, cyanogen isocyanate was detected and is suggested to be a key intermediate for the formation of amines and ammonia via the hydrolysis of isocyanate species.
Structure optimization of azobenzene oligomers for holography
2005
Azobenzene oligomer layers with side chain chromofore groups (ChG) has been experimentally studied to optimize scalar and vector hologram recording at 633 nm. ChG with different acceptors (Br, NO2, H, CN) and different bonding type to the matrix (dispersed without bonding or with covalent bonding) were used. The influence of oligomer matrix (polyvinylbuthirol, tolyle, hexamethylene, polyvinylpirolidone, double matrix) and spacers was also studied. The best results (the maximal diffraction efficiency of 7.9% and the minimal specific recording energy of 0.38 J/(cm2 %)) are obtained for ChG with one NO2 acceptor group covalently bonded to tolyle matrix. Double matrix considerably decreases the…
Raman spectroscopy of acetic acid monomer and dimers isolated in solid argon
2011
Acetic acid (AA) monomer and its dimers were studied by means of Raman spectroscopy combined with the matrix isolation technique. All fundamental bands of CH3COOH monomer were identified, including the CH3 torsional mode. Additionally, three overtone or combination modes were observed as a result of their enhanced intensities by Fermi resonance (FR). Twenty bands of the cyclic dimer (C2h) were identified and assigned, among which appear all intermolecular modes. Bands due to two different higher energy forms of the dimer were also identified. The experimental assignments are supported by ab initio calculations. Copyright © 2011 John Wiley & Sons, Ltd.
Treatment of scalar-relativistic effects on nuclear magnetic shieldings using a spin-free exact-two-component approach.
2013
A cost-effective treatment of scalar-relativistic effects on nuclear magnetic shieldings based on the spin-free exact-two-component theory in its one-electron variant (SFX2C-1e) is presented. The SFX2C-1e scheme gains its computational efficiency, in comparison to the four-component approach, from a focus on spin-free contributions and from the elimination of the small component. For the calculation of nuclear magnetic shieldings, the separation of spin-free and spin-dependent terms in the parent four-component theory is carried out here for the matrix representation of the Dirac equation in terms of a restricted-magnetically balanced gauge-including atomic orbital basis. The resulting spin…
Using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for the characterization of functionalized carbon nanotubes
2013
RATIONALE Functionalization of carbon nanotubes (CNTs) generates complex systems that require the development of suitable characterization protocols. New techniques have been explored, and existing analytical and spectroscopic methods to characterize functionalized CNTs have been adapted. Presently, chemical characterization of functionalized CNTs (f-CNTs) remains a difficult task. METHODS Matrix-assisted laser desorption/ionization (MALDI) analysis is performed on f-MWCNT samples prepared via grafting or absorption of anti-oxidant (AO) molecules on both MWCNT-COOH and MWCNT-OH. Covalently functionalized MWCNTs were subjected to thermal degradation and/or hydrolysis reaction before analysis…
CsPbCl3 nanocrystals dispersed in the Rb0,8Cs0,2Cl matrix studied by far-infrared spectroscopy
2009
Abstract The comparative far-infrared spectroscopy studies of Rb0.8Cs0.2Cl and Rb0.8Cs0.2Cl containing CsPbCl3 nanocrystals between 170 and 320 K are reported. The effect of cesium lead chloride nanocrystals on the phonon modes of the host matrix, particularly manifested in different temperature behavior of LO–TO splitting and the temperature dependence of high frequency dielectric constant, are demonstrated.
Preparation and characterization of organofunctionalized bentonite clay bearing aminophosphonic groups in heavy metal uptake
2019
Abstract Bentonite (Bnt) with covalently immobilized N-propylaminodi(methylenephosphonic) groups (Bnt-ADPA) was obtained through a two-step synthesis including aminosilanization and phosphorylation of resulting aminobentonite through Moedritzer-Irani reaction. The grafting of an aminosilane layer in the interplanar space of the bentonite was investigated by XRD, and the presence of N and P-containing groups was confirmed by FTIR, 31P and 29Si MAS NMR. The immobilization of the organic functional groups increased the interplanar distance in bentonite matrix at 52% that essentially improved filtration properties compared to raw bentonite. The number of surface acid groups was evaluated to 0.8…
Coupling between the Thermal Evolution of the Heme Pocket and the External Matrix Structure in Trehalose Coated Carboxymyoglobin
2003
Proteins can assume a very large number of conformations (conformational substates), all concurring to its function. We present experimental evidence for the existence, in trehalose coated carboxymyoglobin, of a structured environment of the protein, tightly coupled to the heme pocket structure, as experienced by the bound CO molecule. This was evidenced by the strict correlation observed between the thermal evolution (300−20 K) of the CO stretching and of the water association bands in samples of carboxymyoglobin embedded in trehalose matrixes of different hydration. This observation put forward the coupling between the degrees of freedom of the matrix and those of the protein. In the drie…
An overview of the analytical methods for the determination of organic ultraviolet filters in biological fluids and tissues.
2012
Organic UV filters are chemical compounds added to cosmetic sunscreen products in order to protect users from UV solar radiation. The need of broad-spectrum protection to avoid the deleterious effects of solar radiation has triggered a trend in the cosmetic market of including these compounds not only in those exclusively designed for sun protection but also in all types of cosmetic products. Different studies have shown that organic UV filters can be absorbed through the skin after topical application, further metabolized in the body and eventually excreted or bioaccumulated. These percutaneous absorption processes may result in various adverse health effects, such as genotoxicity caused b…
On-line gradient liquid chromatography–Fourier transform infrared spectrometry determination of sugars in beverages using chemometric background corr…
2008
Abstract An on-line gradient reversed phase liquid chromatography–Fourier transform infrared spectrometry (LC–FTIR) method was developed for the determination of fructose, glucose, sucrose and maltose in beverages. Improved chromatographic resolution was obtained using a linear gradient from 75 to 55% (v/v) acetonitrile in water in 15 min. Changes in the background spectra were corrected employing “univariate background correction based on the use of a reference spectra matrix” (UBC-RSM) and using the ratio of absorbance (AR) at 2256 and 2253 cm −1 for the identification of the eluent spectra within the RSM. The method provided limits of detection in the order of 0.75 mg ml −1 . The precisi…