Search results for "Spectrum analysis"
showing 10 items of 287 documents
Synthesis, structural studies and reactivity of vanadium complexes with tridentate (OSO) ligand
2007
The direct reaction between [VCl(3)(thf)3] or [VO(OEt)3] and 2,2'-thiobis{4-(1,1,3,3-tetramethyl-butyl)phenol (tbopH(2)) leads to the formation of [V(2)(micro-tbop-kappa(3)O,S,O)2Cl(2)(CH(3)CN)(2)] (1).4CH(3)CN or [V(2)(micro-OEt)2(O)2(tbop-kappa(3)O,S,O)2] (2), respectively, in high yield. Compounds 1 and 2 were characterized by chemical and physical techniques including X-ray crystallography and variable temperature magnetic susceptibility studies (J = -29.1 cm(-1)) for 1. Complexes 1 and 2 were supported on MgCl2 and when activated with aluminium alkyls, were found to effectively polymerize ethene to produce polyethylene with a narrow molecular weight distribution M(w)/M(n) approximately…
Iron’s Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex
2020
Recently synthetized iron complexes have achieved long-lived excited states and stabilities which are comparable, or even superior, to their ruthenium analogues, thus representing an eco-friendly and cheaper alternative to those materials based on rare metals. Most of computational tools which could help unravel the origin of this large efficiency rely on ab-initio methods which are not able, however, to capture the nanosecond time scale underlying these photophysical processes and the influence of their realistic environment. Therefore, it exists an urgent need of developing new low-cost, but still accurate enough, computational methodologies capable to deal with the steady-state and trans…
On the impact of side methyl groups on the structure and vibrational properties of β-carotenoids. The case of butadiene and isoprene
2021
Abstract Theoretical consideration about the impact of methyl groups on the structure and vibrational properties of β-carotenoids, using medium size molecules of trans-butadiene and trans-isoprene, are reported. Density functional theory (DFT) calculations with correlation-consistent and polarization-consistent basis sets were applied to trans-1,3-butadiene and trans-isoprene as the smallest building bricks of β-carotenoids. Their structure and harmonic vibrations were estimated in the complete basis set limit (CBS) using the non-linear least square fit. Optimized geometries and harmonic frequencies, obtained with B3LYP and BLYP density functionals and large basis sets, were favorably repro…
Identification of volatile compounds of fruit juice by head space (HSSE) and immersion stir bar sorptive extraction (SBSE) and thermal desorption-cry…
2015
Identification of volatile compounds of fruit juice by head space (HSSE) and immersion stir bar sorptive extraction (SBSE) and thermal desorption-cryogenic focusing-gas chromatography mass spectrometry. 16. International Symposium on Olfaction and Electronic Noses (ISOEN 2015)
Prise en compte de la technologie dans la quantification des biomarqueurs
2016
International audience; Part de la variance technologique dans la quantification des biomarqueurs. Exemple en protéomique avec la technologie MALDI-TOF
Characterization of Food Packaging Films with Blackcurrant Fruit Waste as a Source of Antioxidant and Color Sensing Intelligent Material
2021
Chitosan and pectin films were enriched with blackcurrant pomace powder (10 and 20% (w/w)), as bio-based material, to minimize food production losses and to increase the functional properties of produced films aimed at food coatings and wrappers. Water vapor permeability of active films increased up to 25%, moisture content for 27% in pectin-based ones, but water solubility was not significantly modified. Mechanical properties (tensile strength, elongation at break and Young’s modulus) were mainly decreased due to the residual insoluble particles present in blackcurrant waste. FTIR analysis showed no significant changes between the film samples. The degradation temperatures, determined by D…
Recognition of Chip Forms by Means of Dynamic Force Spectrum Analysis
1993
In this study the ability to identify chip forms occurrs in the turning of austenitic stainless steel using dynamic force spectrum analysis has been tested. For this purpose the frequency spectra obtained from various metal cutting tests were recorded along with the static cutting forces. A dual channel analysis, based on the Fast Fourier Transform (FFT), was adopted to help identify the continuous/discontinuous (favourable/unfavourable) chip forming boundary. The results showed an acceptable correlation between the types of the frequency spectra and the types of chip forms. Finally, an original classification of the spectra obtained during turning of AISI 304 (DIN 1.4301) stainless steel i…
Vergleichende tierexperimentelle Untersuchungen mit Kaffee und Tee
1969
14C-Coffein wurde an Ratten als Coffeinlosung bzw. als Bestandteil eines Kaffee-oder Tee-Infuses per os verabreicht. Die Resorption von Coffein erfolgte nach Verabreichung von Coffeinlosung und Kaffee-Infus verhaltnismasg schnell, nach Verabreichung von Tee-Infus dagegen mit einer gewissen Verzogerung. Die14C-Aktivitatswerte im Serum und im Rattenkorper fielen nach Erreichung ihres Maximums nach Gabe von Coffein und Kaffee sehr schnell, nach Gabe von Tee dagegen sehr langsam ab. Die14C-Ausscheidung im Harn war nach Verabreichung von Tee deutlich geringer als nach Coffein oder Kaffee.
Characterization of commercial synthetic resins by pyrolysis-gas chromatography/mass spectrometry: application to modern art and conservation.
2009
To characterize a set of synthetic resins, a methodology by pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) has been developed. The studied reference materials were commercial versions of a wide range of synthetic resins. For each polymer, the pyrolytic and chromatographic conditions were optimized to adequately resolve the fragment mixture in a short time. The proposed analytical method does not require previous treatment of the sample, and due to its high sensitivity, only a small sample quantity in the microgram range can be used. The pyrolysis temperature was found to have little effect on the obtained pyrograms. The summarized data set for the individual polymer materials, es…
Peptide–Membrane Interactions Monitored by Fluorescence Lifetime Imaging: A Study Case of Transportan 10
2021
The interest on detailed analysis of peptide-membrane interactions is of great interest in both fundamental and applied sciences as these may relate to both functional and pathogenic events. Such interactions are highly dynamic and spatially heterogeneous, making the investigation of the associated phenomena highly complex. The specific properties of membranes and peptide structural details, together with environmental conditions, may determine different events at the membrane interface, which will drive the fate of the peptide-membrane system. Here, we use an experimental approach based on the combination of spectroscopy and fluorescence microscopy methods to characterize the interactions …