Image-based truss recognition for density-based topology optimization approach

Structural and Multidisciplinary Optimization - Topology optimization is a tool that supports the creativity of structural-designers and is used in various industries, from automotive to...     

Synthesis of Long-Chain β-Lactones and Their Antibacterial Activities against Pathogenic Mycobacteria

In the quest for new antibacterial agents, a series of novel long- and medium-chain mono- and disubstituted β-lactones was developed. Their activity against three pathogenic mycobacteria—M. abscessus, M. marinum, and M. tuberculosis—was assessed by the resazurin microtiter assay (REMA). Among the 16 β-lactones synthesized, only 3-hexadecyloxetan-2-one (VM005) exhibited promising activity against M. abscessus, whereas most of the β-lactones showed interesting activities against M. marinum, similar to that of the classical antibiotic, isoniazid. Regarding M. tuberculosis, six compounds were found to be active against this mycobacterium, with β-lactone VM008 [trans-(Z)-3-(hexadec-7-en-1-yl)-4-propyloxetan-2-one] being the best growth inhibitor. The promising antibacterial activities of the best compounds in this series suggest that these molecules may serve as leads for the development of much more efficient antimycobacterial agents.     

A Decade of Oxothiomolybdenum Wheels: Synthesis,Behavior in Solution,and Electrocatalytic Properties

The last decade has see the development of sulfur-containing polyoxometalates (POTMs) as a subclass of the polyoxometalate family. The structural and physico-chemical properties of this emerging class of compounds is dominating by the striking coordination properties of the [Mo₂O₂S₂(OH₂)₆]²⁺ oxothio cation, used as a building block. The cyclic topology of this arrangement corresponds to the main feature of the {Mo₂O₂S₂}-based compounds, able to develop cycle-based chemistry. The control of the linear oligomerization of the {Mo₂O₂S₂} core is achieved by the presence of the anionic component, which acts as a template. Here, we report on recent examples which illustrate how the use of various template ions such as halide, sulfate, polyphosphate, and polycarboxylate anions allows to tune the nuclearity of the inorganic host from {Mo₈} to {Mo₁₈}. A special focus on behavior in solution is given, highlighting the dynamic and fluxional character of these host–guest systems. The Diffusion Ordered Spectroscopy (DOSY) ¹H NMR, carried out on a large series of cycle-based and capsule-like compounds, demonstrates that such a method can be applied for the speciation of POM anions in solution. Finally, electrocatalytic behavior of the {Mo₂O₂S₂}-based compounds is presented. Preliminary results show that the electrocatalytic reduction of protons into hydrogen (HER) could constitute one of the most relevant applications for this class of molecular compounds.     

Electrochemical treatment of bisphenol-A using response surface methodology

The decomposition of bisphenol-A (BPA) in synthetic solution and in municipal effluent was investigated using an electro-oxidation process. Electrolysis was conducted using a cylindrical electrolytic cell containing two circular anodes (expanded metal) and two circular cathodes (stainless steel) alternated in the electrode pack. Different anode materials (Ti/SnO₂, Ti/IrO₂ and Ti/PbO₂) were tested, and Ti/PbO₂ was found to be the most effective electrode for BPA degradation. An experimental design methodology (2³ Box–Behnken design) was applied to determine the optimal experimental conditions in terms of cost effectiveness. The BPA concentration (C ₀ = 1.0 mg l⁻¹) could be optimally diminished by up to 90% by applying a current intensity of 2.0 A for a 100-min reaction period in the presence of 250 mg Na₂SO₄ l⁻¹ (used as a supporting electrolyte). Then, the optimal conditions were applied on a municipal wastewater effluent (sampled after secondary treatment) artificially contaminated with 1 mg BPA l⁻¹ without the addition of a supporting electrolyte. The treatment was more effective with the municipal effluent due to the presence of a high concentration of chloride ions that could easily be transformed into active chlorine. BPA could be oxidized by both direct anodic electrochemical oxidation (by means of OH·) and indirect electrochemical oxidation via mediators, such as hypochlorous acid generated by chloride oxidation. Both actions (direct and indirect effects) lead to the formation of powerful oxidizing agents capable of rapidly oxidizing BPA.     

Malachite green derivatives for two-photon RNA detection

The design, preparation and characterisation of a library of malachite green (MG) derivatives for two-photon RNA labelling is described. Some of these MG derivatives exhibit an increased affinity for an MG-aptamer, as well as improved two-photon sensitivity when compared to the classical malachite green chloride. The underlying mechanisms and potential benefits for in vivo RNA visualisation are discussed.     

Solid-Phase Synthesis of Substrate-Based Dipeptides and Heterocyclic Pseudo-dipeptides as Potential NO Synthase Inhibitors

More than 160 arginine analogues modified on the C-terminus via either an amide bond or a heterocyclic moiety (1,2,4-oxadiazole, 1,3,4-oxadiazole and 1,2,4-triazole) were prepared as potential inhibitors of NO synthases (NOS). A methodology involving formation of a thiocitrulline intermediate linked through its side-chain on a solid support followed by modification of its carboxylate group was developed. Finally, the side-chain thiourea group was either let unchanged, S-alkylated (Me, Et) or guanidinylated (Me, Et) to yield respectively after TFA treatment the corresponding thiocitrulline, S-Me/Et-isothiocitrulline and N-Me/Et-arginine substrate analogues. They all were tested against three recombinant NOS isoforms. Several compounds containing a S-Et- or a S-Me-Itc moiety and mainly belonging to both the dipeptide-like and 1,2,4-oxadiazole series were shown to inhibit nNOS and iNOS with IC₅₀ in the 1–50 μM range. Spectral studies confirmed that these new compounds interacted at the heme active site. The more active compounds were found to inhibit intra-cellular iNOS expressed in RAW264.7 and INS-1 cells with similar efficiency than the reference compounds L-NIL and SEIT.     

A Preliminary Investigation of the ISG Glass Vapor Hydration

During the geological disposal of high-level waste, the nuclear glass is expected to be first hydrated in water vapor prior to liquid alteration. In the present work, we investigated the vapor hydration of the International simple glass (ISG) at 175°C and different relative humidities (60%, 80% and 98%). The glass hydration was investigated by nuclear reaction analysis (NRA) and Fourier transform infra-red spectroscopy. The chemical and mineralogical compositions of the alteration products were studied using scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM-EDS) and μ-Raman spectroscopy, respectively. The NRA results gave water diffusion coefficients of 2.31–7.34 × 10⁻²¹ m²/s_, in good agreement with the literature data on borosilicate glasses altered in aqueous media. The glass hydration increased with relative humidity percentage and the SEM-EDS analysis showed a slight enrichment in Si and loss of Na in the hydrated glass layer compared with the pristine glass. The hydration rate of the ISG glass was little higher than that of the French SON68 glass hydrated using water vapor. The corrosion products were analcime, tobermorite, and calcite, which were typical of the SON68 glass hydrated in similar conditions.     

In situ active chlorine generation for the treatment of dye-containing effluents

This study examined the possibility to remove colour causing-compounds from synthetic effluent by indirect electrochemical oxidation using iridium oxide anode electrodes. Using a high concentration of chloride ions (17.1 mM) and various current densities, it was possible to produce high concentration of active chlorine with a specific production rate of 2.8 mg min⁻¹ A⁻¹. The best performance for acid methyl violet 2B dye (MV2B) decomposition was obtained using Ti/IrO₂ anodes operated at a current density of 15 mA cm⁻² during 40 min of treatment in the presence of 3.42 mM of chloride ions. Under these conditions, more than 99% of MV2B was removed (with a reaction rate apparent constant of 0.20 min⁻¹), whereas COD and TOC removal were 51% and 75%, respectively. The electrolytic cell was then used for the degradation of three other synthetic dye solutions: Eosin yellowish (EOY), Trypan Blue (TRB), Acridine Orange (ACO). TRB was the most difficult dye to remove from solution with a value reaction rate constant of 0.12 min⁻¹, compared to 0.19 min⁻¹ and 0.24 min⁻¹ recorded for ACO and EOY dyes, respectively. More than 99% of these dyes were removed by electrochemical oxidation.     

Synthesis and Evaluation of Voltage-Gated Sodium Channel Blocking Pyrroline Derivatives Endowed with Both Antiarrhythmic and Antioxidant Activities

Under the hypothesis that cardioprotective agents might benefit from synergism between antiarrhythmic activity and antioxidant properties, a small series of mexiletine analogues were coupled with the 2,2,5,5-tetramethylpyrroline moiety, known for its antioxidant effect, in order to obtain dual-acting drugs potentially useful in the protection of the heart against post-ischemic reperfusion injury. The pyrroline derivatives reported herein were found to be more potent as antiarrhythmic agents than mexiletine and displayed antioxidant activity. The most interesting tetramethylpyrroline congener, a tert-butyl-substituted analogue, was at least 100 times more active as an antiarrhythmic than mexiletine.     

Influence of the Cooling Temperature on the Mechanical Behavior of an Oxidized Self-Healing Ceramic Matrix Composite

Composites made of ceramic for both fibers and matrix are aimed at being used in aerospace applications, which means being submitted to mechanical stresses at high temperatures in oxidizing and corrosive environments for long durations. The oxidation/corrosion resistance of these materials is linked to their ability to self-heal by creating an oxide phase which can restrict the access of the oxygen into the bulk of the material. During thermomechanical cycles, the distribution of O₂ inside the material as well as the distribution and the state of the liquid oxides will undergo some modifications. A specific test has been conceived and performed in order to evidence the influence of the viscosity of this oxide on the mechanical properties of the material. Results have shown that the stiffening which is observed seems to be proportional to the increase in the viscosity of the sealing oxide, in conjunction with the decrease in the temperature.