Metric inequalities and the Network Loading Problem

Given a simple graph G(V,E) and a set of traffic demands between the nodes of G, the Network Loading Problem consists of installing minimum cost integer capacities on the edges of G allowing routing of traffic demands.In this paper we study the Capacity Formulation of the Network Loading Problem, introducing the new class of Tight Metric Inequalities, that completely characterize the convex hull of the integer feasible solutions of the problem.We present separation algorithms for Tight Metric Inequalities and a cutting plane algorithm, reporting on computational experience.     

A Highly Luminescent Tetrahydrocurcumin IrIII Complex with Remarkable Photoactivated Anticancer Activity

Curcumin has chemopreventative properties against a variety of tumours, but has poor bioavailability. Here, two new bis-cyclometallated iridium(III) complexes have been prepared, featuring the natural product curcumin (CUR) or its reduced form, tetrahydrocurcumin (THC), as bidentate, anionic O O-binding ligands. The iridium THC complex is highly luminescent in deoxygenated solution and efficiently generates singlet oxygen under aerated conditions, whereas in the CUR analogue, other non-radiative decay pathways are competitive. The complexes are rapidly taken up by a variety of human tumour cell lines from solutions of micromolar concentration. They show negligible cytotoxicity in the absence of irradiation. When briefly irradiated with visible light, Ir-THC becomes highly phototoxic, inducing rapid apoptosis within 2 h. The results show the high potential of such complexes as sensitizers in photodynamic therapy (PDT).     

CO2 Separation by Imide/Imine Organic Cages

Two novel imide/imine-based organic cages have been prepared and studied as materials for the selective separation of CO₂ from N₂ and CH₄ under vacuum swing adsorption conditions. Gas adsorption on the new compounds showed selectivity for CO₂ over N₂ and CH₄. The cages were also tested as fillers in mixed-matrix membranes for gas separation. Dense and robust membranes were obtained by loading the cages in either Matrimid® or PEEK-WC polymers. Improved gas-transport properties and selectivity for CO₂ were achieved compared to the neat polymer membranes.     

Microstrip Resonators and Broadband Lines for X-band EPR Spectroscopy of Molecular Nanomagnets

We present a practical setup to perform continuous-wave X-band electron paramagnetic resonance spectroscopy by using planar microstrip lines and general purpose instrumentation. We fabricated Ag/alumina and Nb/sapphire microstrip resonators and transmission lines and compared their performance down to 2 K and under applied magnetic field. We used these devices to study single crystals of molecular Cr\(_{3}\) nanomagnets. By means of X-band planar resonators we measured angle-dependent spectra at fixed frequency, while broadband transmission lines were used to measure continuous wave spectra with varying frequency in the range 2–25 GHz. The spectra acquired at low temperatures allowed to extract the essential parameters of the low-lying energy levels of Cr\(_{3}\) and demonstrate that this method is particularly suitable to study small crystals of molecular nanomagnets.     

GC–MS analysis of low-molecular-weight dicarboxylic acids in atmospheric aerosol: comparison between silylation and esterification derivatization procedures

This paper describes methods for the determination of low-molecular-weight (LMW) dicarboxylic acids in atmospheric aerosols as important chemical tracers for source apportionment of aerosol organics and for studying atmospheric processes leading to secondary organic aerosol formation. The two derivatization procedures most widely used in GC analysis of dicarboxylic acids were compared: esterification using BF₃/alcohol reagent and silylation using N,O-bis(trimethylsilyl)-trifluoroacetamide (BSTFA). The advantages and drawbacks of the two methods are investigated and compared in terms of (1) precision and accuracy of the results and (2) sensitivity and detection limit of the procedure. The comparative investigation was performed on standard solutions containing target C₃–C₉ dicarboxylic acids and on experimental particulate matter (PM) samples. Attention was focused on low-volume sampling devices that collect small amounts of sample for organic speciation. The results show that, overall, both the techniques appear suitable for the analysis of LMW dicarboxylic acids in atmospheric aerosols since they provide low detection limits (≤4 ng m⁻³) and satisfactory reproducibility (RSD% ≤ 15%). Between them, BSTFA should be the reagent of choice under the most limiting conditions of PM filters collected by low-volume air samplers: It provides determination of all the target C₃–C₉ dicarboxylic acids with lower detection limits (≤2 ng m⁻³) and higher reproducibility (RSD% ≤ 10%)      

Artemia swarm dynamics and path tracking

Artemia larvae may show swarming organization under the presence of a light spot, while being insensitive to several other external stimuli. In this paper, the dynamics of the Artemia population in response to this kind of stimuli has been exploited to design a robot moving inside the water and able to lead the direction of the group. The robot therefore implements external leadership, by driving the Artemia population along a set of desired trajectories. Experimental results and simulations based on a model of Artemia motion confirmed the suitability of the approach.     

On a class of hyperbolic 3-orbifolds of small volume and small heegaard genus associated to 2-bridge links

We consider a class of hyperbolic 3-orbifoldsO(α/β); the underlying topological space of such an orbifold is the 3-sphere and the singular set is obtained by adding the two standard (upper and lower) unknotting tunnels to a 2-bridge linkL(α/β) (and associating branching order two to both unknotting tunnels). These 3-orbifolds are extremal with respect to the notion of Heegaard genus or Heegaard number of 3-orbifolds; it is to be expected that they are also extremal with respect to the volume, that is the smallest volume hyperbolic 3-orbifolds should belong to this or some closely related class. We show that an orbifoldO(α/β) has a uniqueD ₂-covering by an orbifold? _n(α/β) wose space is the 3-sphere and whose singular set is the same 2-bridge linkL(α/β) used for the construction ofO(α/β); moreoverO(α/β) is hyperbolic if and only if? _n(α/β) is hyperbolic. As the volumes of the orbifolds? _n(α/β) are known resp. can be computed, this allows to compute the volumes of the orbifoldsO(α/β). The problem of computation of volumes remains open for some closely related classes of 3-orbifolds which are also extremal with respect to the Heegaard genus (for example associating a branching order bigger than two to one or both unknotting tunnels).     

Molecular dynamics simulation of Matrix Metalloproteinase 2: fluctuations and time evolution of recognition pockets

We report a molecular dynamics simulation study of a zinc-protease--gelatinase A or MMP2--which is a major target for drug design, being involved in tumor metastasis and other degenerative diseases. Two structures have been employed as starting conditions, one based on the crystal of multi-domain proMMP2, the other consisting of the catalytic domain only. The overall fold of the two models is maintained over the 1260 ps trajectory, enabling us to analyze correlations of fluctuations among domains, and to observe the presence of correlations within the catalytic domain in the multi-domain enzyme only, hence due to the presence of hemopexin and fibronectin domains. In the multi-domain protein, two cavities are conserved over the trajectory, one of them pointing to a key region, a crevice surrounding the catalytic zinc. The other one is localized across the three domains of the MMP2 metalloproteinase. These areas are partially covered by the propeptide in the crystal structure of proMMP2. We propose a model of MMP2-collagen interaction that involves both identified cavities and takes into account the inter/intra domain cross-correlations.