Synthesis,Computational Studies and Assessment of in Vitro Activity of Squalene Derivatives as Carbonic Anhydrase Inhibitors

We report novel molecules incorporating the nontoxic squalene scaffold and different carbonic anhydrase inhibitors (CAIs). Potent inhibitory action, in the low-nanomolar range, was detected against isoforms hCA II for sulfonamide derivatives, which proved to be selective against this isoform over the tumor-associate hCA IX and XII isoforms. On the other hand, coumarin derivatives showed weak potency but high selectivity against the tumor-associated isoform CA IX. These compounds are interesting candidates for preclinical evaluation in glaucoma or various tumors in which the two enzymes are involved. In addition, an in silico study of inhibitor-bound hCA II revealed extensive interactions with the hydrophobic pocket of the active site and provided molecular insights into the binding properties of these new inhibitors.     

Chromium (VI) removal by methylated biomass of Spirulina platensis: The effect of methylation process

Biosorption of heavy metals is an interesting approach to treat industrial wastewaters by an environmentally friendly system. Spirulina platensis biomass, an effective biosorbent for cations, cannot be used to adsorb chromate due to its negatively charged surface close to neutral conditions; therefore, methylation of biomass was performed to increase its adsorption capacity under these conditions. Batch adsorption tests carried out varying both Cr(VI) and methylated biomass concentrations showed that 2–4 g l^?1 of biosorbent were able to remove Cr(VI) with efficiency ≥80%, while higher Cr(VI) levels (43–50 mg l^?1) showed low removal efficiency. The model of Langmuir was shown to describe the adsorption phenomenon better than the Freundlich one. The values of the overall adsorption capacity of methylated biomass suggested that increased biosorbent availability does not necessarily correspond to larger amount of adsorbed metal. FT-IR spectra of dried and methylated biomass of S. platensis allowed us monitoring the efficiency of the methylation process through the analysis of CH and COO^? vibrational stretching modes, taken as diagnostic of this process.     

An experimental comparison of a graphite electrode and a gas diffusion electrode for the cathodic production of hydrogen peroxide

This work studies the production of hydrogen peroxide through the cathodic reduction of oxygen in acidic medium, by comparing the results obtained using a commercial graphite and a gas diffusion electrode. A low pH was required to allow the application of hydrogen peroxide generation to an electro-Fenton process. The influence of applied potential and the gas flow composition were investigated. The gas diffusion electrode demonstrates a higher selectivity for hydrogen peroxide production, without significantly compromising the iron regeneration, thus making its successful application to a cathodic Fenton-like treatment, possible. Unlike the graphite cathode, the gas diffusion cathode also proved to be effective in the air flow.     

The influence of consolidation and artificial weathering on all‐PP composite behavior

The purpose of this work was to evaluate the effect of consolidation parameters on the mechanical properties of all‐polypropylene composites. Consolidation time does not induce any significant influence, whereas processing temperature and in particular coextruded tape characteristics deeply affect laminate performance. The DSC analysis demonstrated that the proximity of copolymer and homopolymer melting points results in a reduction in the operating window. This suggests the implementation of a more effective temperature control during thermoforming to avoid reinforcement relaxation and localized melting. Artificial weathering was conducted under noon summer light condition to assess the effect of ultraviolet exposure on laminates. After 100 and 250 h, sample performance drops significantly, with overall strength and elongation reduction up to 70 and 88%, respectively. Low molecular weight by‐products were identified using Raman spectroscopy on specimens surface, confirming the mechanical property decrement due to photo‐oxidation process. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41283.     

Potent,Metabolically Stable 2‐Alkyl‐8‐(2H‐1,2,3‐triazol‐2‐yl)‐9H‐adenines as Adenosine A2A Receptor Ligands

Inhibition of adenosine A_2A receptors has been shown to elicit a therapeutic response in preclinical animal models of Parkinson’s disease (PD). We previously identified the triazolo‐9H‐purine, ST1535, as a potent A_2AR antagonist. Studies revealed that ST1535 is extensively hydroxylated at the ω‐1 position of the butyl side chain. Here, we describe the synthesis and evaluation of derivatives in which the ω‐1 position has been substituted (F, Me, OH) in order to block metabolism. The stability of the compounds was evaluated in human liver microsomes (HLM), and the affinity for A_2AR was determined. Two compounds, (2‐(3,3‐dimethylbutyl)‐9‐methyl‐8‐(2H‐1,2,3‐triazol‐2‐yl)‐9H‐purin‐6‐amine ( 3 b ) and 4‐(6‐amino‐9‐methyl‐8‐(2H‐1,2,3‐triazol‐2‐yl)‐9H‐purin‐2‐yl)‐2‐methylbutan‐2‐ol ( 3 c ), exhibited good affinity against A_2AR (K_i=0.4 nM and 2 nM , respectively) and high in vitro metabolic stability (89.5 % and 95.3 % recovery, respectively, after incubation with HLM for two hours).     

Microwave-assisted synthesis of isosorbide-derived diols for the preparation of thermally stable thermoplastic polyurethane

In order to prepare thermally stable isosorbide-derived thermoplastic polyurethane, the synthesis of two new chiral exo–exo configured diols, prepared from isosorbide, and two types of diphenols (bisphenol A and thiodiphenol) was described. The synthesis conditions were optimized under conventional heating and microwave irradiations. To prove their suitability in polymerization, these monomers were successfully polymerized using 4,4′-diphenylmethane diisocyanate (MDI) and hexamethylene diisocyanate (HDI). Both monomers and polymers have been studied by NMR, FT-IR, TGA, DSC; intrinsic viscosity of polymers has also been determined. The results showed the effectiveness of the synthetic strategy proposed; moreover, a dramatic reduction of the reaction time and an important improvement of the monomers yield using microwave irradiation have been demonstrated. The monomers, as well as the polymers, showed excellent thermal stability both in air and nitrogen. It was also shown that the introduction of sulphur in the polyurethane backbone was effective in delaying the onset of degradation as well as the degradation rate.     

An X-ray absorption spectroscopy study of Mo oxidation in Pb at elevated temperatures

The corrosion of fuel cladding and structural materials by lead and lead-bismuth eutectic in the liquid state at elevated temperatures is an issue that must be considered when designing advanced nuclear systems and high-power spallation neutron targets. In this work, lead corrosion studies of molybdenum were performed to investigate the interaction layer as a function of temperature by X-ray absorption spectroscopy. In situ X-ray absorption measurements on a Mo substrate with a 3-6 μm layer of Pb deposited by thermal evaporation were performed at temperatures up to 900 °C and at a 15° angle to the incident X-rays. The changes in the local atomic structure of the corrosion layer are visible in the difference extended X-ray absorption fine structure and the linear combination fitting of the X-ray absorption near-edge structure to as-deposited molybdenum sample and molybdenum oxide (MoO₂ and MoO₃) standards. The data are consistent with the appearance of MoO₃ in an intermediate temperature range (650-800 °C) and the more stable MoO₂ phase dominating at high and low temperatures.     

Feasibility study of the cut and weld operations by RH on the cooling pipes of ITER NB components

The maintenance operations of ITER NB components inside the vessel - Beam Line Components (BLC's) involve the removal of the faulty component, its transport to the hot cell as well as the reverse operations of transport of the repaired/new component and its reinstallation inside the vessel. Prior to the removal of the BLC's the cooling pipes must be detached from the component following a procedure that applies to the cutting of the pipes and subsequent welding when the component is re-installed. The purpose of this study, conducted in the framework of EFDA, is to demonstrate the feasibility of the cut and weld operations on the water pipes of the BLC's using fully remote handling techniques. Viable technologies for the cut and weld operations have been identified within the study; in particular the following aspects will be presented in the paper:

• Different strategies can be pursued in the detachment of the components depending on the number of cut and weld operations to be performed on the pipes. The selected strategy will impact on the procedure to be followed likewise on important aspects as the requirements of the flexible joints assembled on the pipes.

• The existing cutting techniques have been examined in the light of the remotely performed pipe cutting at the NB cell. Modifications of commercial tools have been proposed in order to adapt them to the BLC's pipes requirements. The debris produced during the cutting process must be controlled and collected, therefore a cleaning system has been integrated in the adapted cutting tool referred above.

• The existing welding techniques have been also examined and compared based on different criteria such as complexity, reliability, alignment tolerances, etc. TIG welding is the preferred technique as it stands out for its superior performance. The commercial tools identified need to be adapted to the NB environment.

• The alignment of the pipes is a critical issue concerning the remote welding. A proper alignment system has been proposed taking into account the pre-selected welding technique.

Determination of dry matter and crude protein contents of undried forages by near‐infrared reflectance spectroscopy

Near‐infrared reflectance spectroscopy (NIRS) was used to predict the dry matter (DM) and crude protein (CP) contents of untreated forage samples. Four hundred forage samples were analysed in reflectance mode. Two mathematical treatments based on the order of derivative of log(1/R), the gap in data points and the numbers of data points used in the first and second smoothings were applied. Predictive equations were developed using modified partial least squares (MPLS) with internal cross‐validation. The coefficient of determination of calibration and the standard error of cross‐validation (SECV, in parentheses) for DM were 0.92 (12.4), 0.92 (12.6) and 0.93 (11.7) for the two treatments and log(1/R) respectively on a g kg^?1 fresh weight basis. For CP the NIRS calibration statistics yielded and SECV (in parentheses) values of 0.85 (19.8), 0.85 (19.5) and 0.87 (18.1) for the two treatments and log(1/R) respectively on a g kg^?1 fresh weight basis. It was concluded that NIRS is a suitable method to predict the dry matter and crude protein contents of fresh forage without sample preparation. © 2002 Society of Chemical Industry