A continuum model of micro-cracks in concrete

The aim of this study is to propose a model describing the evolution of the mechanical properties of micro-cracked bodies under slow mechanical loading. To do so, we consider each material element of the body as a domain of finite size comprising one single crack. The size and orientation of the latter are treated as Lagrangian coordinates that are complementary to those usually describing the translations of the material elements. As such, their evolution is driven by some balance equations that are provided by the theory of continua with microstructure and by fit constitutive equations. To deal with the latter, we then call upon fracture mechanics. The model is applied to concrete within some simplifying assumptions and the case of a bar tensioned by a hard device is studied. Crack propagation and stiffness loss are determined when the loading increases, they are compared to experimental results.     

Rheological studies in the bulk and at the interface of Pickering oil/water emulsions

The rheological behavior and interfacial properties of olive oil–water emulsions stabilized by surfactant and clay particles (smectite) were studied to evaluate the effect of particles and surfactant distribution both in the bulk phase and at the oil–water interface. The temperature sweep of surfactant solutions and emulsions with and without clay particles showed the critical effect of the solid particles on the viscosity change. The mechanism of adsorption of surfactant molecules onto clay particles has a direct impact on the micellization and gelling temperatures. Indeed, the presence of clay particles caused a slight decrease in the micellization temperature and a total cancellation of the gelling phenomenon. Dynamic interfacial tension values demonstrated that clay particles would not compete with the surfactant for adsorption at the interface. However, the significant increase in the elastic properties of the interface that was observed accounts for their accumulation in the vicinity of the interface, probably at the level of surfactant polar head groups. Thus, the clay particles would form a mechanical barrier, preventing coalescence of emulsion droplets.     

Organic-inorganic nanocomposites via directly grafting conjugated polymers onto quantum dots

Nanocomposites of poly(3-hexylthiophene)-cadmium selenide (P3HT-CdSe) were synthesized by directly grafting vinyl-terminated P3HT onto [(4-bromophenyl)methyl]dioctylphosphine oxide (DOPO-Br)-functionalized CdSe quantum dot (QD) surfaces via a mild palladium-catalyzed Heck coupling, thereby dispensing with the need for ligand exchange chemistry. The resulting P3HT-CdSe nanocomposites possess a well-defined interface, thus significantly promoting the dispersion of CdSe within the P3HT matrix and facilitating the electronic interaction between these two components. The photophysical properties of nanocomposites were found to differ from the conventional composites in which P3HT and CdSe QDs were physically mixed. Solid-state emission spectra of nanocomposites suggested the charge transfer from P3HT to CdSe QDs, while the energy transfer from 3.5 nm CdSe QD to P3HT was implicated in the P3HT/CdSe composites. A faster decay in lifetime further confirmed the occurrence of charge transfer in P3HT-CdSe nanocomposites.     

In silico drug design and molecular docking of novel amidophosphonates and sulfamidophosphonates as inhibitors of urokinase-type plasminogen activator

Cancer is one of the most serious health problems worldwide, affecting individuals from different sexes, ages, and races. However, the most frequent cancer types in the world are lung, prostate, stomach, colorectal, and esophagus in men; and breast, lung, stomach, colorectal and cervical in women. Currently, the search for new active substances used in oral targeted therapies are legitimate and opens up the possibility of an "ambulatory shift" in cancer treatment. In order to design anti-tumor drug candidates endowed with oral bioavailability, we studied trough an in silico approach the oral bioavailability of newly synthesized biomolecules; α-sulfamidophosphonates and α-amidophosphonates as well as their mechanism of action on the new target urokinase-type plasminogen activator (uPA). The studied compounds have been found to meet the five criteria of. Lipinski's rule. The Osiris, Molinspiration and SWISS/ADME calculations related to the compounds (1d, 2a) have shown that these compounds could be good candidates for interacting with the different targets, they have convincing characteristics in relation to the standard drug used. It can be concluded that these compounds are biologically important and possessing molecular properties desirable for being a drug candidate for oral use.The molecular docking results of the studied compounds revealed a good ligand-target interactions, the compounds (1d, 2a) presented a possibility of interacting as an inhibitor of the anticancer target: urokinase-type plasminogen activator (uPA).     

Size,Shape, and Wavelength Effect on Photothermal Heat Elevation of Gold Nanoparticles: Absorption Coefficient Experimental Measurement

Complex-shaped nanoparticles as gold nanourchins (GNU) and nanorods (GNR) are very suitable agents in the case of photothermal therapy due to their photon-heat conversion ability in the red and near-infrared region (NIR). The quantification in heat generation of complex shaped nanostructures is an important key to predict the therapeutic effect of these nanoparticles. For that, the determination of the nanoparticles absorption cross section (σ_Abs) responsible for the heat generation is one of the important steps before any application. Although it is obvious to determine σ_Abs for spheres via Mie's theory, in the case of complex structures like GNU or GNR, this parameter is difficult to model. In this work, a new methodology is used to determine experimentally σ_Abs for both GNU and GNR. Experimental measurements of the photothermal properties of 100 nm size GNU and two different sizes of GNRs are studied regarding different parameters such as concentration, laser excitation wavelength, and exposure time. By using the heat transfer theory, the temperature elevation in the nanoparticles solutions is converted to temperature elevation at the nanoparticles surface and σ_Abs values are then calculated for both GNU and GNR in the NIR spectral region.     

Multimeric Presentation of RGD Peptidomimetics Enhances Integrin Binding and Tumor Cell Uptake

The use of multimeric ligands is considered as a promising strategy to improve tumor targeting for diagnosis and therapy. Herein, tetrameric RGD (Arg-Gly-Asp) peptidomimetics were designed to target α_vβ₃ integrin-expressing tumor cells. These compounds were prepared by an oxime chemoselective assembly of cyclo(DKP-RGD) ligands and a cyclodecapeptide scaffold, which allows a tetrameric presentation. The resulting tetrameric RGD peptidomimetics were shown to improve α_vβ₃ integrin binding compared with the monomeric form. Interestingly, these compounds were also able to enhance tumor cell endocytosis in the same way as tetrameric RGD peptides. Altogether, the results show the potential of the tetrameric cyclo(DKP-RGD) ligands for in vivo imaging and drug delivery.     

Nitrite sensor based on multilayer film of Dawson-type tungstophosphate α-K7[H4PW18O62]·18H2O immobilized on glassy carbon

A nitrite sensor based on immobilized Dawson-type tungstophosphate α-K₇[H₄PW₁₈O₆₂]·18H₂O (PW₁₈) in multilayers of charged polyelectrolyte poly(allylamine hydrochloride) (PAH) on a glassy carbon electrode is described. A nitrite sensor manufactured with 10 layers has a sensitivity of ∼4 nA/μM nitrite, fast response time (<6 s), low detection limit (∼0.1 μM), high selectivity towards endogenous interferences such as nitrate and molecular oxygen, a linear range from 0.1 μM to at least 20 mM nitrite and was stable for at least 2 months. In addition, such nitrite sensors can operate in a pH range from 1 to 9, and the sensitivity can be increased by increasing the number of layers at the expense of increasing the response time.     

Two new 3-C-carboxylated flavones from the rhizomes of Caragana conferta

Confertins A (1) and B (2), new 3-C-carboxylated flavones, have been isolated from the ethyl acetate soluble fraction of the rhizomes of Caragana conferta. Their structures have been assigned on the basis of spectroscopic studies.