Search results for "GOME"
showing 10 items of 329 documents
Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis
2017
Made available in DSpace on 2018-12-11T17:33:14Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-07-21 Federación Española de Enfermedades Raras Ministerio de Economía y Competitividad A time-dependent density functional theory study is performed to reveal the excited state absorption (ESA) features of distyrylbenzene (DSB), a prototype π-conjugated organic oligomer. Starting with a didactic insight to ESA based on simple molecular orbital and configuration considerations, the performance of various density functional theory functionals is tested to reveal the full vibronic ESA features of DSB at short and long probe delay times. UNESP-Universidade Estadual Paulista POSMAT-Graduate Pr…
Influence of Fano resonance on SERS enhancement in Fano-plasmonic oligomers
2019
Plasmonic oligomers can provide profound Fano resonance in their scattering responses. The sub-radiant mode of Fano resonance can result in significant near-field enhancement due to its light trapping capability into the so-called hotspots. Appearance of these highly localized hotspots at the excitation and/or Stokes wavelengths of the analytes makes such oligomers promising SERS active substrates. In this work, we numerically and experimentally investigate optical properties of two disk-type gold oligomers, which have different strength and origin of Fano resonance. Raman analysis of rhodamine 6G and adenine with the presence of the fabricated oligomers clearly indicates that an increment …
The glass transition of mixtures of polystyrene with alkyl-terminated oligostyrene — experimental evidence for microphase separation in a polymer ble…
1995
Mixtures of high molecular weight polystyrene (P n = 961.5 ; T g = 373 K) and sec-butyl-terminated oligostyrene (P n = 10.6 ; T g = 302 K) show a dependence of the glass transition on the composition (i.e., number-average molecular weight) which cannot be described by the classic equations of Fox & Flory or Kanig & Ueberreiter. Addition of small amounts of the oligostyrene strongly decreases the glass transition, and above an oligomer content of 40 wt.-% the glass transition remains constant within experimental error. This behavior can be attributed to the unfavorable interactions between the alkyl-terminated oligomer and the high molecular weight PS. As a result the oligomer is a bad solve…
Accelerated laboratory weathering of polypropylene composites filled with synthetic silicon-based compounds
2019
Abstract Non-functionalized and n-alkyl functionalized polyhedral oligomeric silsesquioxanes (POSS), siloxane-silsesquioxane resins and the sol-gel silicas were for the first time examined as possible UV-stabilizers and/or antioxidants in polypropylene (PP). The obtained composites were subjected to the accelerated laboratory weathering tests. The influence of the weathering conditions on the structure and properties of the PP materials was evaluated on the basis of the results from Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and differential scanning calorimetry (DSC) studies. It was found that weathering resistance of the PP materials was strongly de…
Copolymers of ethylene with monoalkenyl- and monoalkenyl(siloxy)silsesquioxane (POSS) comonomers – Synthesis and characterization
2017
Abstract The hybrid ethylene/POSS copolymers were obtained using the rac -Et(Ind) 2 ZrCl 2 catalyst activated by MAO. A series of monoalkenyl- and monoalkenyl(siloxy)silsesquioxanes derivatives with different structures of reactive alkenyl substituent and types of non-reactive groups attached to the T 8 POSS cage was used as comonomers. The kind and concentration of the POSS comonomer in the reaction feed as well as extended reaction time were found to strongly influence the catalyst efficiency and incorporation of POSS units into polymer chains. The comonomer reactivity was significantly dependent on the length of the alkenyl reactive substituent in the POSS molecule and it was highest for…
Shear-Thinning in Oligomer Melts—Molecular Origins and Applications
2021
We investigate the molecular origin of shear-thinning in melts of flexible, semiflexible and rigid oligomers with coarse-grained simulations of a sheared melt. Entanglements, alignment, stretching and tumbling modes or suppression of the latter all contribute to understanding how macroscopic flow properties emerge from the molecular level. In particular, we identify the rise and decline of entanglements with increasing chain stiffness as the major cause for the non-monotonic behaviour of the viscosity in equilibrium and at low shear rates, even for rather small oligomeric systems. At higher shear rates, chains align and disentangle, contributing to shear-thinning. By performing simulations …
Oligo(phenylenevinylene)s with increased electron affinity: 1,3,4-oxadiazoles in the main chain
2001
Stilbenoid chromophores and 2,5-diaryl-1,3,4-oxadiazoles are compounds with wide technical importance. Their intense fluorescence is used in szintillators and optical whiteners and their semiconducting properties makes them valuable emissive or electron conducting layers in organic light emitting diodes (OLED). The synthesis and the electronic spectra of soluble oligo(phenylenevinylene)s with 1,3,4-oxadiazoles in the main chain are presented. The Huisgen reaction of tetrazole-terminated stilbenoid compounds with aromatic acyl chlorides yields model compounds, isophthalic acid dichlorides lead to soluble polymers with well-defined conjugated segments, as can be seen in the electronic spectra…
All hierarchical levels are involved in conformational transitions of the 4×6-meric tarantula hemocyanin upon oxygenation
2002
The respiratory protein of the tarantula Eurypelma californicum is a 4 x 6-meric hemocyanin that binds oxygen with high cooperativity. This requires the existence of different conformations which have been confirmed by small angle X-ray scattering (SAXS). Here we present reconstructed 3D-models of the oxy- and deoxy-forms of tarantula hemocyanins, as obtained by fitting small angle X-rays scattering curves on the basis of known X-ray structures and electron microscopy of related hemocyanins. For the first time, the involvement of movements at all levels of the quaternary structure was confirmed for an arthropod hemocyanin upon oxygenation. The two identical 2 x 6-meric half-molecules of the…
Mutations in the Bacillus thuringiensis Cry1Ca toxin demonstrate the role of domains II and III in specificity towards Spodoptera exigua larvae
2004
Several mutants of the Bacillus thuringiensis Cry1Ca toxin affected with regard to specific activity towards Spodoptera exigua were studied. Alanine was used to replace single residues in loops 2 and 3 of domain II (mutant pPB19) and to replace residues 541– 544 in domain III (mutant pPB20). Additionally, a Cry1Ca mutant combining all mutations was constructed (mutant pPB21). Toxicity assays showed a marked decrease in toxicity against S. exigua for all mutants, while they retained their activity against Manduca sexta, confirming the importance of these residues in determining insect specificity. Parameters for binding to the specific receptors in BBMV (brush border membrane vesicles) of S.…
Exploring the redox reactivity of magnesium porphine. Insight into the origins of electropolymerisation.
2010
International audience; Magnesium(II) porphine, MgP (1), was synthesised according to the Lindsey procedure allowing to isolate and crystallise 1-formyldipyrromethane (2) as a synthetic intermediate. Unprecedented Xray diffraction studies revealed multiple intermolecular associations in the crystal between neighbouring units of 2, namely hydrogen bond and CH … π. The electrochemical behaviour of 1 was examined by means of cyclic voltammetry. In oxydation, two well-defined and distinct steps are assigned to macrocycle concerned electron transfers yielding initially the π-cation radical and π dication, respectively. The highly reactive dication condenses neutral magnesium porphine to form a d…