Finite element incremental analysis of elastoplastic plate bending

Summary The paper discusses the numerical solution of the elastoplastic bending of plates with any polygonal boundary subject to a generic load and to distributed dislocations.For the discretization of the plate Herrmann's and Hellan's constant moment triangular equilibrium model has been chosen. Compatibility is imposed through a minimum principle, proposed by Capurso and Maier, which can be considered a generalization of the minimum complementary energy principle for elastoplastic workhardening continua allowing for distributed dislocations.By means of a completely automatic computation program, the cases of simply supported and clamped square plate under uniformly distributed load and under central concentrated load are solved. Present results are partly compared with existing solutions.

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Sommario Viene studiato il problema della flessione di una piastra a contorno poligonale qualsiasi costituita da materiale elastico-incrudente e sottoposta ad un carico generico e a distorsioni diffuse. Per la discretizzazione della piastra viene scelto il modello triangolare equilibrato a momento costante di Herrmann e Hellan. La congruenza viene imposta attraverso un principio di minimo proposto da Capurso e Maier che può essere riguardato come la generalizzazione del principio della minima energia complementare per materiali elastico-incrudenti in presenza di distorsioni diffuse.Viene sviluppato un programma di calcolo automatico, che stende sulla piastra un reticolo di densità prefissata, numera e collega fra di loro nodi, lati e triangoli. In tal modo il programma genera le condizioni di equilibrio nodale e costruisce la funzione dell'energia da minimizzare. Vengono risolti, per il confronto con le soluzioni esistenti i casi di piastra quadrata semplicemente appoggiata e incastrata al contorno sottoposte a carico uniforme e ad una forza concentrata nel centro.

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This study forms part of a research program supported by the National (Italian) Research Council (C.N.R. Gruppo Problemi avanzati di ingegneria strutturale).     

Fully Automated Synthesis of Novel TSPO PET Imaging Ligand [18F]Fluoroethyltemazepam

Introduction: Benzodiazepines, including temazepam are described as TSPO antagonists. In fact, TSPO was initially described as a peripheral benzodiazepine receptor (PBR) with a secondary binding site for diazepam. TSPO is a potential imaging target of neuroinflammation because there is an amplification of the expression of this receptor. Objectives: Herein, we developed a novel fluorinated benzodiazepine ligand, [¹⁸F]Fluoroethyltemazepam ([¹⁸F]F-FETEM), for positron emission tomography (PET) imaging of translocator protein (18 kDa). Methods: [¹⁸F]F-FETEM was radiolabelled with an automated synthesizer via a one-pot procedure. We conducted a [¹⁸F]F-aliphatic nucleophilic substitution of a tosylated precursor followed by purification on C18 and Alumina N SPE cartridges. Quality control tests was also carried out. Results: We obtained 2.0–3.0% decay-uncorrected radiochemical activity yield (3.7% decay-corrected) within the whole synthesis time about 33 min. The radiochemical purity of [¹⁸F]F-FETEM was over 90% by TLC analysis. Conclusions: This automated procedure may be used as basis for future production of [¹⁸F]F-FETEM for preclinical PET imaging studies.     

Levels of cadmium and lead in blood: an application of validated methods in a group of patients with endocrine/metabolic disorders from the Rome area

Lead (Pb) and cadmium (Cd) are environmental pollutants, known to cause adverse health effects in humans even following long-term exposure to low doses. These metals, individually or in combination with other persistent environmental contaminants, have been claimed to have the potential to cause alterations in the function of the endocrine system. Human exposure to Pb and Cd is generally assessed by monitoring their concentrations in blood, taking into account the influence of various factors, such as age, gender, smoking habit, occupation, alcohol consumption, diet and air pollution. Following the phase-out of leaded gasoline in the European Union and improvements in food-packaging and contamination control, a decrease in blood Pb levels of the general population has been observed in several European countries and the USA. We report the preliminary results of a study, performed within the framework of the project “Human Exposure to Xenobiotics with potential Endocrine Activities: Evaluation of Reproductive and Developmental risks”. We measured the concentrations of Cd and Pb in the blood of a group of patients with endocrine/metabolic disorders. The analytical procedures, based on atomic absorption spectrometry, were validated according to the EURACHEM guidelines. The median values and ranges were 0.48 μg l⁻¹ (0.20–1.73 μg l⁻¹) and 21.8 μg l⁻¹ (12.0–65.7 μg l⁻¹) for Cd and Pb, respectively; the Cd levels were significantly higher in smokers. Overall, the concentrations of Cd and Pb found in our series of patients were comparable to levels currently expected in the general population.     

Water‐Mediated Proton Conduction in a Robust Triazolyl Phosphonate Metal–Organic Framework with Hydrophilic Nanochannels

The development of water‐mediated proton‐conducting materials operating above 100 °C remains challenging because the extended structures of existing materials usually deteriorate at high temperatures. A new triazolyl phosphonate metal–organic framework (MOF) [La₃ L ₄(H₂O)₆]Cl ? x H₂O ( 1 , L ^2?=4‐(4H‐1,2,4‐triazol‐4‐yl)phenyl phosphonate) with highly hydrophilic 1D channels was synthesized hydrothermally. Compound 1 is an example of a phosphonate MOF with large regular pores with 1.9 nm in diameter. It forms a water‐stable, porous structure that can be reversibly hydrated and dehydrated. The proton‐conducting properties of 1 were investigated by impedance spectroscopy. Magic‐angle spinning (MAS) and pulse field gradient (PFG) NMR spectroscopies confirm the dynamic nature of the incorporated water molecules. The diffusivities, determined by PFG NMR and IR microscopy, were found to be close to that of liquid water. This porous framework accomplishes the challenges of water stability and proton conduction even at 110 °C. The conductivity in 1 is proposed to occur by the vehicle mechanism.     

In Situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated CeIV-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Architectures**

We report on the results of an in situ synchrotron powder X-ray diffraction study of the crystallisation in aqueous medium of two recently discovered perfluorinated Ce^IV-based metal–organic frameworks (MOFs), analogues of the already well investigated Zr^IV-based UiO-66 and MIL-140A, namely, F4_UiO-66(Ce) and F4_MIL-140A(Ce). The two MOFs were originally obtained in pure form in similar conditions, using ammonium cerium nitrate and tetrafluoroterephthalic acid as reagents, and small variations of the reaction parameters were found to yield mixed phases. Here, we investigate the crystallisation of these compounds, varying parameters such as temperature, amount of the protonation modulator nitric acid and amount of the coordination modulator acetic acid. When only HNO₃ is present in the reaction environment, only F4_MIL-140A(Ce) is obtained. Heating preferentially accelerates nucleation, which becomes rate determining below 57 °C. Upon addition of AcOH to the system, alongside HNO₃, mixed-phased products are obtained. F4_UiO-66(Ce) is always formed faster, and no interconversion between the two phases occurs. In the case of F4_UiO-66(Ce), crystal growth is always the rate-determining step. A higher amount of HNO₃ favours the formation of F4_MIL-140A(Ce), whereas increasing the amount of AcOH favours the formation of F4_UiO-66(Ce). Based on the in situ results, a new optimised route to achieving a pure, high-quality F4_MIL-140A(Ce) phase in mild conditions (60 °C, 1 h) is also identified.     

On the list decodability of rank-metric codes containing Gabidulin codes

Designs, Codes and Cryptography - Wachter-Zeh (IEEE Trans Inf Theory 59(11):7268–7276, 2013), and later together with Raviv (IEEE Trans Inf Theory 62(4):1605–1615, 2016), proved that...     

Hyperconjugation and the increasing bulk of OCOCX3 substituents in trans-1,4-disubstituted cyclohexanes destabilize the diequatorial conformer

The trans diesters of 1,4-cyclohexanediol with a number of acetic acid analogues, CX3COOH, of varying steric hindrance and polarity (CX3 = Me, Et, iso-Pr, tert-Bu, CF3, CH2Cl, CHCl2, CCl3, CH2Br, CHBr2, CBr3) were synthesized, and the axial,axial/equatorial,equatorial conformational equilibria were studied by low-temperature 1H NMR spectroscopy in CD2Cl2. The structures and relative energies of the axial,axial and equatorial,equatorial conformers were calculated at both the MP2/6-311G* and the MP2/6-311+G* levels of theory, and it was only by including diffuse functions that a good correlation of deltaG(o)calcd vs deltaG(o)exptl could be obtained. Both the structures and the energy differences of the axial,axial and equatorial,equatorial conformers are discussed with respect to the established models of conformational analysis, viz., steric 1,3-diaxial and hyperconjugative interactions. Interestingly, the hyperconjugative interactions sigma(C-C)/sigma(C-H) --> sigma*(C-O), together with a steric effect which also destabilizes the equatorial,equatorial conformers on increasing bulk of the substituents, proved to dominate the position of the conformational equilibria. In addition, the preference of the axial,axial conformers with respect to their equatorial,equatorial analogues was greater than expected from the conformational energies of the corresponding substituents in the monosubstituted cyclohexyl esters. The reason for this very interesting and unexpected result is also discussed.     

Amberlite IRA900N3 as a new catalyst for the azidation of alpha,beta-unsaturated ketones under solvent-free conditions

Amberlite IRA900N3 is an excellent organocatalyst for the azidation of alpha,beta-unsaturated ketones with trimethylsilyl azide under solvent-free conditions. By avoiding the use of metallic species and of the organic reaction medium, the procedure is a green tool for the preparation of beta-azido ketones under mild conditions with yields from good to excellent. The catalyst can be recovered and re-used with no loss of its efficiency.