Autochthonous white grape pomaces as bioactive source for functional jams

Seeds and skins from grape pomaces of Pecorello and Mantonico cv underwent extraction (ultrasound–assisted or maceration), in order to obtain added-value ingredients for the production of a functional pear jam. The antioxidant features of the extracts were tested by in vitro colorimetric assays. Among seeds, Mantonico by maceration (MSC) showed the best results, as well as Mantonico by ultrasound-assisted extraction (MBs) among skin extracts. The selected extracts were fully characterised by NMR and MS techniques, confirming the presence of many polyphenols, flavonoids and tannins among others. Pectin was then derivatised by the grafting procedure with the active molecules of MBs and MSC. The latter produced the best antioxidant polymer also without toxicity evaluated using Caco-2 cells and was used for the jam preparation. The functional pear jam showed improved antioxidant performances in comparison with its non-functional counterparts as well as its maintenance over time (15 days).     

Confinement-Shear Lattice Model for Concrete Damage in Tension and Compression: II. Computation and Validation

The concrete material model developed in the preceding Part I of this study is formulated numerically. The new model is then verified by comparisons with experimental data for compressive and tensile uniaxial tests, biaxial tests, and triaxial tests, as well as notched tests of mode I fracture and size effect.     

Overcoming Multidrug Resistance (MDR): Design,Biological Evaluation and Molecular Modelling Studies of 2,4-Substituted Quinazoline Derivatives

Some 2,4-disubstituted quinazolines were synthesized and studied as multidrug resistance (MDR) reversers. The new derivatives carried the quinazoline-4-amine scaffold found in modulators of the ABC transporters involved in MDR, as the TKIs gefitinib and erlotinib. Their behaviour on the three ABC transporters, P-gp, MRP1 and BCRP, was investigated. Almost all compounds inhibited the P-gp activity in MDCK-MDR1 cells overexpressing P-gp, showing EC₅₀ values in the nanomolar range ( 1 d , 1 e , 2 a , 2 c , 2 e ). Some compounds were active also towards MRP1 and/or BCRP. Docking results obtained by in silico studies on the P-gp crystal structure highlighted common features for the most potent compounds. The P-gp selective compound 1 e was able to increase the doxorubicin uptake in HT29/DX cells and to restore its antineoplastic activity in resistant cancer cells in the same extent of sensitive cells. Compound 2 a displayed a dual inhibitory effect showing good activities towards both P-gp and BCRP.     

Design and Discovery of Plasmepsin II Inhibitors Using an Automated Workflow on Large‐Scale Grids

Novel and potent inhibitors of Plasmodium falciparum plasmepsin II were identified by post‐processing the results of a docking screening with BEAR, a recently reported procedure for the refinement and rescoring of docked ligands in virtual screening. FRET substrate degradation assays performed on the 30 most promising compounds resulted in 26 inhibitors with IC₅₀ values ranging from 4.3 nM to 1.8 μM .

     

Ceria‐coated diesel particulate filters for continuous regeneration

The potential of diesel particulate filters wash‐coated with highly dispersed nano‐metric ceria particles for continuous regeneration has been investigated. To this end, catalytic filters were prepared, soot‐loaded (avoiding the formation of the cake layer), and regenerated—under isothermal conditions—at temperature ranging from 200–600°C. Results have shown that catalytic oxidation of soot starts from 300°C and, at all temperatures, the selectivity to CO₂ is higher than 99%. 475°C is the minimum temperature at which the filter is regenerated via catalytic path. At this temperature, the catalytic filter maintains substantially the same performance over repeated cycles of soot loading and regeneration, indicating that the thermal stability of ceria is preserved. This has been further confirmed by comparison between the outcomes obtained from characterization (X‐ray powder diffraction, N₂ adsorption at 77 K, Hg intrusion porosimetry, and scanning electron microscope/energy dispersive X‐ray analysis) of fresh filter and filter subjected to repeated regeneration tests. © 2017 American Institute of Chemical Engineers AIChE J, 63: 3442–3449, 2017     

Fingerprint Clustering with Bounded Number of Missing Values

The problem of clustering fingerprint vectors with missing values is an interesting problem in Computational Biology that has been proposed in Figueroa et al. (J. Comput. Biol. 11(5):887–901, 2004). In this paper we show some improvements in closing the gaps between the known lower bounds and upper bounds on the approximability of variants of the biological problem. Moreover, we have studied two additional variants of the original problem proposed in Figueroa et al. (Proc. 11th Computing: The Australasian Theory Symposium (CATS), CRPIT, vol. 41, pp. 57–60, 2005). We prove that all such problems are APX-hard even when each fingerprint contains only two unknown positions and we present a greedy algorithm that has constant approximation factors for these variants. Despite the hardness of these restricted versions of the problem, we show that the general clustering problem on an unbounded number of missing values such that they occur for every fixed position of an input vector in at most one fingerprint is polynomial time solvable.     

Detection of human herpesviruses 6 and 7 in heart transplant recipients by a multiplex polymerase chain reaction method

Cystic lesions of the pancreas are relatively uncommon. We describe the case of a young man with a complex cystic mass located within the head of the pancreas. The patient underwent exploration with resection of the mass. Pathology revealed a ciliated epithelial cyst, a rare cystic lesion of the pancreas.     

A methodology for verification of digital items in fair exchange protocols with active trustee

Fair exchange constitutes a fundamental mechanism for electronic commerce. Fair exchange assumes that it is possible to verify the correctness of the digital items to be exchanged. However, when an item is indescribable , i.e., it cannot be formally specified, its verification becomes difficult, if not impossible. This hinders a practical deployment of fair exchange. We propose a methodology for the verification of indescribable digital items. The methodology allows a participant in a fair exchange protocol to personally verify the indescribable item without giving him any practical advantage over the other participant, and therefore without violating the fairness imposed by the protocol.     

Easy Preparation of Liposome@PDA Microspheres for Fast and Highly Efficient Removal of Methylene Blue from Water

Mussel-inspired chemistry was usefully exploited here with the aim of developing a high-efficiency, environmentally friendly material for water remediation. A micro-structured material based on polydopamine (PDA) was obtained by using liposomes as templating agents and was used for the first time as an adsorbent material for the removal of methylene blue (MB) dye from aqueous solutions. Phospholipid liposomes were made by extrusion and coated with PDA by self-polymerization of dopamine under simple and mild conditions. The obtained Liposome@PDA microspheres were characterized by DLS and Zeta potential analysis, TEM microscopy, and FTIR spectroscopy. The effects of pH, temperature, MB concentration, amount of Liposome@PDA, and contact time on the adsorption process were investigated. Results showed that the highest adsorption capacity was obtained in weakly alkaline conditions (pH = 8.0) and that it could reach up to 395.4 mg g⁻¹ at 298 K. In addition, adsorption kinetics showed that the adsorption behavior fits a pseudo-second-order kinetic model well. The equilibrium adsorption data, instead, were well described by Langmuir isotherm. Thermodynamic analysis demonstrated that the adsorption process was endothermic and spontaneous (ΔG⁰ = −12.55 kJ mol⁻¹, ΔH⁰ = 13.37 kJ mol⁻¹) in the investigated experimental conditions. Finally, the applicability of Liposome@PDA microspheres to model wastewater and the excellent reusability after regeneration by removing MB were demonstrated.     

In Silico Logical Modelling to Uncover Cooperative Interactions in Cancer

The multistep development of cancer involves the cooperation between multiple molecular lesions, as well as complex interactions between cancer cells and the surrounding tumour microenvironment. The search for these synergistic interactions using experimental models made tremendous contributions to our understanding of oncogenesis. Yet, these approaches remain labour-intensive and challenging. To tackle such a hurdle, an integrative, multidisciplinary effort is required. In this article, we highlight the use of logical computational models, combined with experimental validations, as an effective approach to identify cooperative mechanisms and therapeutic strategies in the context of cancer biology. In silico models overcome limitations of reductionist approaches by capturing tumour complexity and by generating powerful testable hypotheses. We review representative examples of logical models reported in the literature and their validation. We then provide further analyses of our logical model of Epithelium to Mesenchymal Transition (EMT), searching for additional cooperative interactions involving inputs from the tumour microenvironment and gain of function mutations in NOTCH.