Synthesis,antibacterial and antifungal activities of new chiral 5-alkyl-3-(1′-benzenesulfonylpyrrolidin-2′-yl)-4,5-dihydro-1,2,4-oxadiazin-6-ones

Chiral α-bromoacid chlorides can be easily prepared from amino acids. Their condensation with new 1-benzenesulfonylpyrrolidin-2-carboxamidoxime derived from proline lead to the corresponding O-(bromoacyl) amidoximes. The latter afforded new chiral 5-alkyl-3-(1′-benzenesulfonylpyrrolidin-2′-yl)-4,5-dihydro-1,2,4oxadiazin-6-ones in good chemical yields via intramolecular cyclization in the presence of one equivalent of NaH. These new compounds were evaluated for their antibacterial and antifungal activities using micro-dilution tests against some strains of bacteria and fungi. Our compounds showed an excellent antibacterial activity, which is better than the drug levofloxacin.     

Exceptional efficiency of palladium nanoparticle catalyzed Heck cross-coupling in binary task specific ionic liquids

The utilization of the task specific onium salt supported substrates in ionic liquids as solvents (i.e., binary task specific ionic liquids) for palladium nanoparticle catalyzed Heck cross-coupling reactions is presented. Adequate substrates have been prepared and used leading to expected products in very high yields. Exceptionally high turnover (TON = 940,000, TOF = 208,000) can be achieved taking advantages of this combination. Additional advantages of this technology reside in the monitoring of the reaction and purification of products after degrafting which are simplified to the extreme.     

Control of a mechanical aeration process via topological sensitivity analysis

The topological sensitivity analysis method gives the variation of a criterion with respect to the creation of a small hole in the domain. In this paper, we use this method to control the mechanical aeration process in eutrophic lakes. A simplified model based on incompressible Navier–Stokes equations is used, only considering the liquid phase, which is the dominant one. The injected air is taken into account through local boundary conditions for the velocity, on the injector holes. A 3D numerical simulation of the aeration effects is proposed using a mixed finite element method. In order to generate the best motion in the fluid for aeration purposes, the optimization of the injector location is considered. The main idea is to carry out topological sensitivity analysis with respect to the insertion of an injector. Finally, a topological optimization algorithm is proposed and some numerical results, showing the efficiency of our approach, are presented.     

Large diaphragmatic defect as the cause of hydrothorax in a cirrhotic patient: demonstration with peritoneal scintigraphy and magnetic resonance imaging

A 52-year-old man with history of post-hepatitic cirrhosis presented with ascitis and respiratory distress. Chest X-ray on admission showed a large right hydrothorax. Thoracentesis yielded a large volume of a clear transudate fluid. Peritoneal scintigraphy showed rapid migration of radiotracer into the right pleural cavity, confirming the abdominal origin of the pleural fluid and suspecting a large diaphragmatic defect. MR imaging study using ultrafast sequences confirmed the large diaphragmatic defect.     

Formylation of O-Silylated Enolates by Vilsmeier's Reagent

Reaction of trimethylsilylenol ethers and Vilsmeier's reagent leads to the corresponding regiocontrolled β-dicarbonyl compounds with high to good yields.     

Regiocontrolled preparation of 3-acyl-6-aryl-2-pyridones via condensation of 3-aryl-3-chloropropeniminium salts with β-keto-amides

Α series of substituted 3-acyl-6-aryl-2-pyridones have been prepared in one-step reactions via condensation of 3-aryl-3-chloropropeniminium salts with β-keto-amides. This efficient synthesis has the advantages of high yields and simple reaction procedures.     

Affected depth approach to determine the fatigue strength of materials containing surface defects

This paper explains a novel methodology to determine the High Cycle Fatigue (HCF) reliability of materials with defects. A defect was represented by a semi-spherical void situated at a specimen surface subjected to periodic loading. Then, the Finite Element (FE) method was carried out to find out the stress distribution near the defects for diverse sizes and diverse loadings. The Crossland stress change is studied and interpolated by a mathematical function depending on fatigue limits, defect radius, and profundity from the defect tip. The HCF strength of defect material is computed by the “stress strength” approach via the Monte Carlo sampling. This approach leads to determine Kitagawa–Takahashi diagrams, for a definite reliability, of materials with defects. The calculated HCF reliabilities agree well with fatigue tests. Obtaining Kitagawa–Takahashi diagrams with reliability level permits the engineer to be engaged in an endurance problem to compute the defective fatigue lives in safe and efficient process. As a final point, we discuss the sensitivity effects of defect size, defect free fatigue limits, affected depth, and load amplitude to envisage the fatigue reliability of materials with defects.     

A Silica Bilayer Supported on Ru(0001): Following the Crystalline‐to Vitreous Transformation in Real Time with Spectro‐microscopy

The crystalline‐to‐vitreous phase transformation of a SiO₂ bilayer supported on Ru(0001) was studied by time‐dependent LEED, local XPS, and DFT calculations. The silica bilayer system has parallels to 3D silica glass and can be used to understand the mechanism of the disorder transition. DFT simulations show that the formation of a Stone–Wales‐type of defect follows a complex mechanism, where the two layers show decoupled behavior in terms of chemical bond rearrangements. The calculated activation energy of the rate‐determining step for the formation of a Stone—Wales‐type of defect (4.3 eV) agrees with the experimental value. Charge transfer between SiO₂ bilayer and Ru(0001) support lowers the activation energy for breaking the Si?O bond compared to the unsupported film. Pre‐exponential factors obtained in UHV and in O₂ atmospheres differ significantly, suggesting that the interfacial ORu underneath the SiO₂ bilayer plays a role on how the disordering propagates within the film.     

Clay‐Na as a sorbent for the extraction of anti‐inflammatory compounds in water samples

In this work, clay‐Na particles are used as the adsorbent for the solid‐phase extraction of acidic compounds. The novel sorbent under study is based on high‐specific surface area, cation‐exchange capacity designed specifically to offer ion‐exchange properties with the goal being to selectively extract a group of acidic compounds. The effects of the extraction parameters including extraction elution solvent, sample volume and pH. In optimum conditions, the repeatability for one fiber (n = 3), expressed as % relative standard deviation, was between 0.3 and 4.3% for the acid compounds. The detection limits for the studied acidic compounds were between 0.1–0.6 μg/L. The developed method offers the advantages of being simple to use and having a low cost of equipment.