Nonuniform hyperbolicity for C1-generic diffeomorphisms

We study the ergodic theory of non-conservative C ¹-generic diffeomorphisms. First, we show that homoclinic classes of arbitrary diffeomorphisms exhibit ergodic measures whose supports coincide with the homoclinic class. Second, we show that generic (for the weak topology) ergodic measures of C ¹-generic diffeomorphisms are non-uniformly hyperbolic: they exhibit no zero Lyapunov exponents. Third, we extend a theorem by Sigmund on hyperbolic basic sets: every isolated transitive set Λ of any C ¹-generic diffeomorphism f exhibits many ergodic hyperbolic measures whose supports coincide with the whole set Λ.     

Production of Cyclodextrins from Cornstarch Granules in a Sequential Batch Mode and in the Presence of Ethanol

The influence of Toruzyme? cyclomaltodextrin glucanotransferase concentration and the presence of ethanol have been studied for the production of α-, β-, and γ-cyclodextrins (CDs) from 15% (w/v) cornstarch, at 65 °C and pH 6, with the aim of increasing CD yield. The selected concentrations for a single batch reactor were 10% (v/v) ethanol and 0.1% (v/v) enzyme, yielding after 12 h, 37% total CDs, of which 52.2% was α-CD, 38.8% β-CD, and 9.0% γ-CD. The enzyme specific activities per unit mass of protein for producing α-, β-, and γ-CD were 37.25, 19.61, and 8.63 U mg(-1), respectively. Total CD yield per milliliter of enzyme was 55 g. To increase CD yield per enzyme charge and thus reduce costs, the production of CDs was tested with two sequential batches in which a single enzyme charge was used. At the end of the first batch, the enzyme was adsorbed either on 65 °C pretreated starch granules or on raw starch, and a second batch was run with this material. The best result, in this case, was obtained for pretreated starch, increasing total CD produced by 57.4%, with 53.2% α-CD, 36.1% β-CD, and 10.7% γ-CD. CD yield per milliliter of enzyme was then 87 g.     

PlantPIs--an interactive web resource on plant protease inhibitors

PlantPIs is a web querying system for a database collection of plant protease inhibitors data. Protease inhibitors in plants are naturally occurring proteins that inhibit the function of endogenous and exogenous proteases. In this paper the design and development of a web framework providing a clear and very flexible way of querying plant protease inhibitors data is reported. The web resource is based on a relational database, containing data of plants protease inhibitors publicly accessible, and a graphical user interface providing all the necessary browsing tools, including a data exporting function. PlantPIs contains information extracted principally from MEROPS database, filtered, annotated and compared with data stored in other protein and gene public databases, using both automated techniques and domain expert evaluations. The data are organized to allow a flexible and easy way to access stored information. The database is accessible at http://www.plantpis.ba.itb.cnr.it/.     

The state of the guanosine nucleotide allosterically affects the interfaces of tubulin in protofilament

The dynamics of microtubules is essential for many microtubule-dependent cellular functions such as the mitosis. It has been recognized for a long time that GTP hydrolysis in αβ-tubulin polymers plays a critical role in this dynamics. However, the effects of the changes in the nature of the guanosine nucleotide at the E-site in β-tubulin on microtubule structure and stability are still not well understood. In the present work, we performed all-atom molecular dynamics simulations of a αβα-tubulin heterotrimer harboring a guanosine nucleotide in three different states at the E-site: GTP, GDP-Pi and GDP. We found that changes in the nucleotide state is associated with significant conformational variations at the α-tubulin N- and β-tubulin M-loops which impact the interactions between tubulin protofilaments. The results also show that GTP hydrolysis reduces αβ-tubulin interdimer contacts in favor of intradimer interface. From an atomistic point view, we propose a role for α-tubulin glutamate residue 254 in catalytic magnesium coordination and identified a water molecule in the nucleotide binding pocket which is most probably required for nucleotide hydrolysis. Finally, the results are discussed with reference to the role of taxol in microtubule stability and the recent tubulin-sT2R crystal structures.     

Conventional and Microwave‐Assisted Synthesis of Benzimidazole Derivatives and Their In Vitro Inhibition of Human Cyclooxygenase

A large series of 1,2‐diaryl‐benzimidazole and 2‐aryl‐1H‐benzimidazole derivatives were synthesized with slight differences using both microwave irradiation and conventional heating methods. Usually higher yields and time reactions reduction were obtained with the former method. All compounds were assayed for their in vitro ability to inhibit human cyclooxygenases, and most of them showed an encouraging inhibitory activity and isoform selectivity in the micromolar range.     

TRT: thermo racing tyre a physical model to predict the tyre temperature distribution

In the paper a new physical tyre thermal model is presented. The model, called Thermo Racing Tyre (TRT) was developed in collaboration between the Department of Industrial Engineering of the University of Naples Federico II and a top ranking motorsport team. The model is three-dimensional and takes into account all the heat flows and the generative terms occurring in a tyre. The cooling to the track and to external air and the heat flows inside the system are modelled. Regarding the generative terms, in addition to the friction energy developed in the contact patch, the strain energy loss is evaluated. The model inputs come out from telemetry data, while its thermodynamic parameters come either from literature or from dedicated experimental tests. The model gives in output the temperature circumferential distribution in the different tyre layers (surface, bulk, inner liner), as well as all the heat flows. These information have been used also in interaction models in order to estimate local grip value.     

Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction

An enhanced version of comparative binding energy (COMBINE) analysis, named COMBINEr, based on both ligand-based and structure-based alignments has been used to build several 3-D QSAR models for the eleven human zinc-based histone deacetylases (HDACs). When faced with an abundance of data from diverse structure-activity sources, choosing the best paradigm for an integrative analysis is difficult. A common example from studies on enzyme-inhibitors is the abundance of crystal structures characterized by diverse ligands complexed with different enzyme isoforms. A novel comprehensive tool for data mining on such inhomogeneous set of structure-activity data was developed based on the original approach of Ortiz, Gago, and Wade, and applied to predict HDAC inhibitors' isoform selectivity. The COMBINEr approach (apart from the AMBER programs) has been developed to use only software freely available to academics.     

Monitoring the Air Influence on Cement–Lime Mortar Hydration Using Low-Field Nuclear Magnetic Resonance Relaxometry

In the present study, we investigate the relationship between the nuclear magnetic resonance relaxation rate and the hydration time in two types of masonry cement-lime mortar. The studies are performed with the mortars both in an enclosed and a standard atmosphere to monitor the air influence on cement-lime mortar hydration and setting. The constituents of the investigated mortar samples are: cement, slaked lime, sand and water. They were mixed to achieve a flow spread of 10?cm. These types of mortars are usually suitable for historical masonry maintenance, but they can also be used for modern buildings, or even for concrete structures coatings to prevent concrete carbonation. All nuclear magnetic resonance relaxation experiments were performed at 20?°C using a low-field nuclear magnetic resonance instrument operable at 20?MHz proton resonance frequency. A slowing down of the hydration kinetics is demonstrated for the samples kept in closed atmosphere conditions. The results contribute to the understanding of cement–lime mortar hydration, carbonation and setting under closed atmosphere conditions.