Search results for "bond"
showing 10 items of 3527 documents
Synthesis, Characterization, Thermal and Antimicrobial studies of N-substituted Sulfanilamide derivatives
2014
Abstract Four sulfanilamide derivatives N -[4-(phenylsulfamoyl)phenyl]acetamide (1), 4-amino- N -phenylbenzenesulfonamide (2), N -[4-(phenylsulfamoyl)phenyl]benzamide (3) and N -{4-[(3-chlorophenyl)sulfamoyl]phenylbenzamide (4) were synthesized and characterized by Infra-Red (IR), Nuclear Magnetic Resonance (NMR) and UV–visible (UV–Vis) spectra. Also Liquid Chromatographic (LCMS) and High Resolution Mass Spectrometric (HRMS) methods were used. Crystal structures of 1–4 were determined by single crystal X-ray diffraction (XRD) and their conformational and hydrogen bond (HB) network properties were examined with survey of the literature data. Compounds 1 and 2 crystallize in the same orthorho…
Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks
2018
Different force fields for the graphene–CH4 system are proposed including pseudo-atom and full atomistic models. Furthermore, different charge schemes are tested to evaluate the electrostatic interaction for the CH4 dimer. The interaction parameters are optimized by fitting to interaction energies at the DFT level, which were themselves benchmarked against CCSD(T) calculations. The potentials obtained with both the pseudo-atom and full atomistic approaches describe accurately enough the average interaction in the methane dimer as well as in the graphene–methane system. Moreover, the atom–atom potentials also correctly provide the energies associated with different orientations of the molecu…
Modeling red coral (Corallium rubrum) and African snail (Helixia aspersa) shell pigments: Raman spectroscopyversusDFT studies
2016
Pigments from red coral (Corallium rubrum) and African snail (Helixia aspersa) shell were studied non-invasively using Raman spectroscopy with 1064-nm laser beam. The two observed bands because of organic pigments confined in biomineralized CaCO3 matrix at about 1500 and 1100 cm−1 were assigned to ν(CC) and ν(C―C), respectively. Both signals originate from polyene(s) of largely unknown structure, containing several conjugated CC bonds. The small peak at 1016 cm−1 in the Raman spectrum of coral pigment was assigned to in-plane ―CH3 rocking or structural deformation of polyene chain because of spatial confinement in the mineral matrix. The organic pigments in red coral and snail shell were pr…
Experimental study of Si–Al substitution in calcium-silicate-hydrate (C-S-H) prepared under equilibrium conditions.
2009
International audience; C-A-S-H of varying Al/Si and Ca/(Al+Si) ratios have been prepared introducing C-S-H (Ca/Si=0.66 and 0.95) at different weight concentrations in a solution coming from the hydration of tricalcium aluminate (Ca3Al2O6) in water. XRD and EDX (TEM) analyses show that using this typical synthesise procedure, pure C-A-S-H is obtained only for calcium hydroxide concentrations below 4.5 mmol L−1. Otherwise, calcium carboaluminate or strätlingite is also present beside C-A-S-H. The tobermorite-like structure is maintained for C-A-S-H. A kinetic study has shown that the formation of C-A-S-H is a fast reaction, typically less than a few hours. The Ca/(Al+Si) ratio of C-A-S-H mat…
Brand bonding development through shopping experiences in branded boutiques
2017
Nowadays Brands generate additional sales via their own retail network, in particular their own boutiques where they propose a unique experience and enter directly in contact with their consumers. Brands provide consumers with an emblematic experience they can fully pilot in comparison with externalized distribution. - Experiential marketing being a strategic lever - These specific shopping experience can generate business, reinforce brand-image, brand-bonding and can also trigger the engagement of consumers who themselves actively participate to brand-building. This survey aims at measuring how the shopping experience in branded boutiques generates brand-bonding. One shall then understand …
Targeting transcriptional addictions in small cell lung cancer with a covalent CDK7 inhibitor.
2014
Small cell lung cancer (SCLC) is an aggressive disease with high mortality, and the identification of effective pharmacological strategies to target SCLC biology represents an urgent need. Using a high-throughput cellular screen of a diverse chemical library, we observe that SCLC is sensitive to transcription-targeting drugs, in particular to THZ1, a recently identified covalent inhibitor of cyclin-dependent kinase 7. We find that expression of super-enhancer-associated transcription factor genes, including MYC family proto-oncogenes and neuroendocrine lineage-specific factors, is highly vulnerability to THZ1 treatment. We propose that downregulation of these transcription factors contribut…
Desferrioxamine as an appropriate chelator for 90Nb: Comparison of its complexation properties for M-Df-Octreotide (M=Nb, Fe, Ga, Zr)
2014
The niobium-90 radioisotope ((90)Nb) holds considerable promise for use in immuno-PET, due to its decay parameters (t½ = 14.6h, positron yield=53%, Eß(+)(mean) = 0.35 MeV and Eß(+)(max) = 1.5 MeV). In particular, (90)Nb appears well suited to detect in vivo the pharmacokinetics of large targeting vectors (50-150 kDa). In order to be useful for immuno-PET chelators are required to both stabilize the radionuclide in terms of coordination chemistry and to facilitate the covalent attachment to the targeting vector. Different chelators were evaluated for this purpose in terms of radiolabelling efficiency and stability of the radiolabelled Nb(V) complex and in order to determine the most suitable…
Boundary elements analysis of adhesively bonded piezoelectric active repair
2009
Abstract This paper presents the analysis of active piezoelectric patches for cracked structures by the boundary element method. A two-dimensional boundary integral formulation based on the multidomain technique is used to model cracks and to assemble the multi-layered piezoelectric patches to the host damaged structures. The fracture mechanics behavior of the repaired structures is analyzed for both perfect and imperfect interface between patches and host beams. The imperfect interface, representing the adhesive between two different layers, is modeled by using a “spring model” that involves linear relationships between the interface tractions, in normal and tangential directions, and the …
Correlating surface forces with surface reactivity of gypsum crystals by atomic force microscopy. Comparison with rheological properties of plaster
2001
Abstract Atomic Force Microscopy (AFM) was used to image the surface reactivity as well as to characterize quantitatively the surface forces between two gypsum (CaSO 4 , 2H 2 O) crystals. Measurements on different crystal faces, which vary in morphology, structure, hydrophilicity, surface charge, were performed in both air and ionic solutions. In ionic solutions, varying the experimental parameters, the ionic nature and the concentration as well as the duration of the contact leads to the conclusion that the adhesion occurs whatever the orientation of faces. Nevertheless, the magnitude of the adhesion of a physical nature (Van der Waals and ionic correlation) depends on the surface charge d…
p–n Metallophosphor based on cationic iridium(iii) complex for solid-state light-emitting electrochemical cells
2011
An ionic transition-metal complex for improved charge transporting properties was designed, containing both n-type dimesitylboryl (BMes2) and p-type carbazole groups. The complex, [Ir(Bpq)2(CzbpyCz)]PF6 (1) (Bpq = 2-[4-(dimesitylboryl)phenyl] quinoline, CzbpyCz = 5,5′-bis(9-hexyl-9H-carbazol-3-yl)-2,2′-bipyridine) and its equivalent in which the BMes2 groups were substituted with carbazole moieties were evaluated on the photoluminescence and excited state properties in detail. According to the photophysical and electrochemical properties, we concluded that the BMes2 groups can increase the conjugation length of the cyclometalated C^N ligands and greatly enhance the phosphorescence efficienc…