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31.
Model checking tools face a combinatorial blow up of the state-space (commonly known as the state explosion problem) that must be addressed to formally verify concurrent systems. We propose an approach combining abstraction techniques and heuristic search to overcome the problem above. In particular, heuristic search can avoid the bottleneck of the exhaustive exploration of the global state graph of a system, while retaining the advantages of abstraction techniques. 相似文献
32.
Ana Rita Otrelo-Cardoso Márcia Alexandra da Silva Correia Viola Schwuchow Dmitri I. Svergun Maria Jo?o Rom?o Silke Leimkühler Teresa Santos-Silva 《International journal of molecular sciences》2014,15(2):2223-2236
The periplasmic aldehyde oxidoreductase PaoABC from Escherichia coli is a molybdenum enzyme involved in detoxification of aldehydes in the cell. It is an example of an αβγ heterotrimeric enzyme of the xanthine oxidase family of enzymes which does not dimerize via its molybdenum cofactor binding domain. In order to structurally characterize PaoABC, X-ray crystallography and small angle X-ray scattering (SAXS) have been carried out. The protein crystallizes in the presence of 20% (w/v) polyethylene glycol 3350 using the hanging-drop vapour diffusion method. Although crystals were initially twinned, several experiments were done to overcome twinning and lowering the crystallization temperature (293 K to 277 K) was the solution to the problem. The non-twinned crystals used to solve the structure diffract X-rays to beyond 1.80 Å and belong to the C2 space group, with cell parameters a = 109.42 Å, b = 78.08 Å, c = 151.77 Å, β = 99.77°, and one molecule in the asymmetric unit. A molecular replacement solution was found for each subunit separately, using several proteins as search models. SAXS data of PaoABC were also collected showing that, in solution, the protein is also an αβγ heterotrimer. 相似文献
33.
Rosangela Oliva Federica Albanese Giacomo Cipriani Francesca Ridi Donatella Giomi Marino Malavolti Lorenza Bernini Antonella Salvini 《Journal of Polymer Research》2014,21(7):1-12
A new family of oligotrehaluronamides was synthesized through the polycondensation of α,α-trehaluronic acid dimethyl ester and different diamines or polyamines. In particular, diamines with different molecular structure (1,n-alkylene diamines, aromatic diamine, and alkyleneoxydiamine) were used in order to modulate the molecular weights and the physical characteristics of the products, such as Tg, hydrophilic or hydrophobic properties, and solubility. α,α-Trehaluronic acid was obtained from a renewable source as α,α-trehalose. The syntheses of oligotrehaluronamides were carried out in different solvents such as ethanol, methanol, THF and DMSO, using triethylamine as catalyst. All the compounds obtained in this study were characterized through FT-IR and NMR spectroscopy. The molecular weights were evaluated by 1H-NMR and in some cases compared with those obtained from ESI-MS spectrometry. Glass transition temperatures and melting points were detected by differential scanning calorimetry. Low molecular weight oligoamides, containing several hydroxyl groups, are water-soluble and could be used in water-based formulations. 相似文献
34.
Devis Bellucci Antonella Sola Matteo Gazzarri Federica Chiellini Valeria Cannillo 《Materials science & engineering. C, Materials for biological applications》2013,33(3):1091-1101
Since the 1970s, various types of ceramic, glass and glass–ceramic materials have been proposed and used to replace damaged bone in many clinical applications. Among them, hydroxyapatite (HA) has been successfully employed thanks to its excellent biocompatibility. On the other hand, the bioactivity of HA and its reactivity with bone can be improved through the addition of proper amounts of bioactive glasses, thus obtaining HA-based composites. Unfortunately, high temperature treatments (1200 °C ÷ 1300 °C) are usually required in order to sinter these systems, causing the bioactive glass to crystallize into a glass–ceramic and hence inhibiting the bioactivity of the resulting composite. In the present study novel HA-based composites are realized and discussed. The samples can be sintered at a relatively low temperature (800 °C), thanks to the employment of a new glass (BG_Ca) with a reduced tendency to crystallize compared to the widely used 45S5 Bioglass®. The rich glassy phase, which can be preserved during the thermal treatment, has excellent effects in terms of in vitro bioactivity; moreover, compared to composites based on 45S5 Bioglass® having the same HA/glass proportions, the samples based on BG_Ca displayed an earlier response in terms of cell proliferation. 相似文献
35.
Salvatore Mirabile Dr. Serena Vittorio Prof. Maria Paola Germanò Dr. Ilenia Adornato Dr. Laura Ielo Prof. Antonio Rapisarda Prof. Rosaria Gitto Francesca Pintus Dr. Antonella Fais Prof. Laura De Luca 《ChemMedChem》2021,16(19):3083-3093
There is a considerable attention for the development of inhibitors of tyrosinase (TYR) as therapeutic strategy for the treatment of hyperpigmentation disorders in humans. Continuing in our efforts to identify TYR inhibitors, we describe the design, synthesis and pharmacophore exploration of new small molecules structurally characterized by the presence of the 4-fluorobenzylpiperazine moiety as key pharmacophoric feature for the inhibition of TYR from Agaricus bisporus (AbTYR). Our investigations resulted in the discovery of the competitive inhibitor [4-(4-fluorobenzyl)piperazin-1-yl]-(3-chloro-2-nitro-phenyl)methanone 26 (IC50=0.18 μM) that proved to be ∼100-fold more active than reference compound kojic acid (IC50=17.76 μM). Notably, compound 26 exerted antimelanogenic effect on B16F10 cells in absence of cytotoxicity. Docking analysis suggested its binding mode into AbTYR and into modelled human TYR. 相似文献
36.
Antonella Ilenia Alfano Prof. Elisabetta Buommino Prof. Maria Grazia Ferraro Prof. Carlo Irace Prof. Angela Zampella Prof. Heiko Lange Prof. Margherita Brindisi 《ChemMedChem》2021,16(24):3795-3809
The generation of peptidomimetic substructures for medicinal chemistry purposes requires effective and divergent synthetic methods. We present in this work an efficient flow process that allows quick modulation of reagents for Joullié-Ugi multicomponent reaction, using spiroindolenines as core motifs. This sterically hindered imine equivalent could successfully be diversified using various isocyanides and amino acids in generally good space-time yields. A telescoped flow process combining interrupted Fischer reaction for spiroindolenine synthesis and subsequent Joullié-Ugi-type modification resulted in product formation in very good overall yield in less than 2 hours compared to 48 hours required in batch mode. The developed protocol can be seen as a general tool for rapid and facile generation of peptidomimetic compounds. We also showcase preliminary biological assessments for the prepared compounds. 相似文献
37.
Francisco Edvan Bezerra Feitosa Antonella Lombardi Costa 《International Journal of Hydrogen Energy》2021,46(40):20799-20814
This paper presents a case study focusing on fourteen most used energy alternatives in Brazil, possible to feed large scale hydrogen production plants for the automotive sector. The evaluations are made using a Decision Making Support Method, MACBETH - Measuring Attractiveness by a Categorical Based Evaluation Technique, with the computational code M-MACBETH 3.2.0, using criteria that include economic and financial, technological, environmental and social aspects. The selected criteria that were used in the assessment, for each of the energy alternatives are capital to be invested in a plant, leveled cost of electric energy produced, CO2 emissions, mortality rate due to the technology use and energy efficiency of technology. The main results obtained showed that photovoltaics off grid electric energy is the most attractive alternative, followed by the photovoltaic on grid alternative, for an eventual automotive hydrogen program in Brazil. 相似文献
38.
Ana Laura CIMADOR Emeli Luciana GALANTE Lucila Ibel MUÑOZ Patricia Silvia ROMANO Antonella Denisse LOSINNO María Cristina VANRELL 《Biocell》2019,43(1):13-20
Trypanosoma rangeli and T. cruzi are both parasitic unicellular species that infect humans. Unlike T. cruzi,
the causative agent of Chagas disease, T. rangeli is an infective and non-pathogenic parasite for humans, but pathogenic
for vectors from the Rhodnius genus. Because both species can coexist in different hosts and overlap their infective
cycles but very little is known about the infection of T. rangeli in mammalian cells, we decided to characterize both the
development of this parasite in cell culture and the effect of therapeutic agents with potential trypanocidal action on
it. We found that T. rangeli exhibits a cycle of infection in Vero cells similar to that for T. cruzi and that the repurposed
drug, 17-AAG, and the natural extract Artemisia sp. essential oil produce a toxic effect on epimastigotes showing
a trypanocidal action from the fifth day of culture. Both treatments also affected the infection of trypomastigotes
and reduced the capacity of replication of amastigotes of T. rangeli. Since T. cruzi / T. rangeli coinfection cases have
been reported, the finding of drugs with potential activity against both species could be significant in the future.
Furthermore, studies of susceptibility of both species to drugs could also help to know the different mechanisms of
pathogenicity in humans displayed by T. cruzi that are absent in T. rangeli 相似文献
39.
Gennaro Lettieri Rosaria Notariale Alessia Ambrosino Alfredo Di Bonito Antonella Giarra Marco Trifuoggi Caterina Manna Marina Piscopo 《International journal of molecular sciences》2021,22(4)
Mercury (Hg) is an environmental pollutant that impacts human and ecosystem health. In our previous works, we reported alterations in the properties of Mytilus galloprovincialis protamine-like (PL) proteins after 24 h of exposure to subtoxic doses of toxic metals such as copper and cadmium. The present work aims to assess the effects of 24 h of exposure to 1, 10, and 100 pM HgCl2 on spermatozoa and PL proteins of Mytilus galloprovincialis. Inductively coupled plasma–mass spectrometry indicated accumulation of this metal in the gonads of exposed mussels. Further, RT-qPCR analyses showed altered expression levels of spermatozoa mt10 and hsp70 genes. In Mytilus galloprovincialis, PL proteins represent the major basic component of sperm chromatin. These proteins, following exposure of mussels to HgCl2, appeared, by SDS-PAGE, partly as aggregates and showed a decreased DNA-binding capacity that rendered them unable to prevent DNA damage, in the presence of CuCl2 and H2O2. These results demonstrate that even these doses of HgCl2 exposure could affect the properties of PL proteins and result in adverse effects on the reproductive system of this organism. These analyses could be useful in developing rapid and efficient chromatin-based genotoxicity assays for pollution biomonitoring programs. 相似文献