Application of multi-way models to the time-resolved fluorescence of polycyclic aromatic hydrocarbons mixtures in water

The time-resolved laser-induced fluorescence of a series of polycyclic aromatic compounds (PAHs) and mixtures of these latter in aqueous solution was measured by means of an apparatus equipped with optical fibers, which allows their real time in situ monitoring. The potential of such spectroscopic technique, yielding 4-way fluorescence data arrays, together with the application of multi-way models to the matricized data, was tested for the resolution of complex aqueous mixtures containing low concentrations of PAHs, as typical fluorescent pollutants in aquatic systems. PARAllel FACtors analysis was employed for the qualitative resolution of PAHs mixtures and for calculating the fluorescence lifetimes of single PAHs; n-way partial least squares analysis was applied for evaluating the concentration of the single PAHs in the aqueous mixtures.     

Integrated methodology for forensic oil spill identification

A new integrated methodology for forensic oil spill identification is presented. It consists of GC-MS analysis, chromatographic data processing, variable-outlier detection, multivariate data analysis, estimation of uncertainties, and statistical evaluation. The methodology was tested on four groups of diagnostic ratios composed of petroleum biomarkers and ratios within homologous PAH categories. Principal component analysis (PCA) was employed and enabled the simultaneous analysis of many diagnostic ratios. Weathering was taken into account by considering the sampling uncertainties estimated from replicate spill samples. Statistical evaluation ensured an objective matching of oil spill samples with suspected source oils as well as classification into positive match, probable match, and nonmatch. The data analysis is further refined if two or more source oils are classified as probable match by using weighted least squares fitting of the principal components, local PCA models, and additional information relevant to the spill case. The methodology correctly identified the source of two spill samples (i.e., crude oils from Oseberg East and Oseberg Field Centre) and distinguished them from closely related source oils.     

Constraint-Based Verification of Parameterized Cache Coherence Protocols

We propose a new method for the parameterized verification of formal specifications of cache coherence protocols. The goal of parameterized verification is to establish system properties for an arbitrary number of caches. In order to achieve this purpose we define abstractions that allow us to reduce the original parameterized verification problem to a control state reachability problem for a system with integer data variables. Specifically, the methodology we propose consists of the following steps. We first define an abstraction in which we only keep track of the number of caches in a given state during the execution of a protocol. Then, we use linear arithmetic constraints to symbolically represent infinite sets of global states of the resulting abstract protocol. For reasons of efficiency, we relax the constraint operations by interpreting constraints over real numbers. Finally, we check parameterized safety properties of abstract protocols using symbolic backward reachability, a strategy that allows us to obtain sufficient conditions for termination for an interesting class of protocols. The latter problem can be solved by using the infinite-state model checker HyTech: Henzinger, Ho, and Wong-Toi, A model checker for hybrid systems, Proc. of the 9th International Conference on Computer Aided Verification (CAV'97), Lecture Notes in Computer Science, Springer, Haifa, Israel, 1997, Vol. 1254, pp. 460–463. HyTech handles linear arithmetic constraints using the polyhedra library of Halbwachs and Proy, Verification of real-time systems using linear relation analysis, Formal Methods in System Design, Vol. 11, No. 2, pp. 157–185, 1997. By using this methodology, we have automatically validated parameterized versions of widely implemented write-invalidate and write-update cache coherence protocols like Synapse, MESI, MOESI, Berkeley, Illinois, Firefly and Dragon (Handy, The Cache Memory Book, Academic Press, 1993). With this application, we have shown that symbolic model checking tools like HyTech, originally designed for the verification of hybrid systems, can be applied successfully to new classes of infinite-state systems of practical interest.     

Variable-gradient generator for micro- and nano-HPLC

A new, simple device generates accurate nano- and microflow rate gradients from any conventional HPLC system. The core of the new device is represented by an electric-actuated, computer-controlled, multiposition HPLC valve. The valve hosts six reservoirs for as many different mobile-phase compositions of increasing strength. A low flow rate stream pushes the weakest solvent through the column as long as required and at the desired flow rate, until the chromatographic run is started. From this time on, the electric actuation allows one to select which reservoir will be on-line with the column and for how long, thus generating a specific solvent gradient, through a sequence of controlled segments of precise mobile-phase composition. This permits one not only to exactly reproduce the programmed slope but also to achieve different gradient shapes (i.e., linear, convex, concave) for different separation needs. The new device has proven to be reliable and reproducible even at the lowest flow rate tested (250 nL x min(-1)) and in different chromatographic conditions.     

A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements

A cyclic CCK8 analogue, cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 (Dpr=L-2,3-diaminopropionic acid), has been designed on the basis of the NMR structure of the bimolecular complex between the N-terminal fragment of the CCK(A) receptor and its natural ligand CCK8. The conformational features of cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 have been determined by NMR spectroscopy in aqueous solution and in water containing DPC-d(38) micelles (DPC=dodecylphosphocholine). The structure of the cyclic peptide in aqueous solution is found to be in a relaxed conformation, with the backbone and Dpr29 side chain atoms making a planar ring and the N-terminal tripeptide extending approximately along the plane of this ring. In DPC/water, the cyclic peptide adopts a "boat-shaped" conformation, which is more compact than that found in aqueous solution. The cyclic constraint between the Dpr29 side chain and the CCK8 carboxyl terminus (Lys34) introduces a restriction in the backbone conformational freedom. However, the interaction of cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 with the micelles still plays an important role in the stabilisation of the bioactive conformation. A careful comparison of the NMR structure of the cyclic peptide in a DPC micelle aqueous solution with the structure of the rationally designed model underlines that the turn-like conformation in the Trp30-Met31 region is preserved, such that the Trp30 and Met31 side chains can adopt the proper spatial orientation to interact with the CCK(A) receptor. The binding properties of cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 to the N-terminal receptor fragment have been investigated by fluorescence spectroscopy in a micellar environment. Estimates of the apparent dissociation constant, K(d), were in the range of 70-150 nM, with a mean value of 120+/-27 nM. Preliminary nuclear medicine studies on cell lines transfected with the CCK(A) receptor indicate that the sulfated-Tyr derivative of cyclo(29,34)[Dpr(29),Lys(34)]-CCK8 displaces the natural ligand with an IC(50) value of 15 microM.     

A Technique for Extracting Sub-source Similarities from Information Sources Having Different Formats

In this paper we propose a semi-automatic technique for deriving the similarity degree between two portions of heterogeneous information sources (hereafter, sub-sources). The proposed technique consists in two phases: the first one selects the most promising pairs of sub-sources, whereas the second one computes the similarity degree relative to each promising pair. We show that the detection of sub-source similarities is a special case (and a very interesting one, for semi-structured information sources) of the more general problem of Scheme Match. In addition, we present a real example case to clarify the proposed technique, a set of experiments we have conducted to verify the quality of its results, a discussion about its computational complexity and its classification in the context of related literature. Finally, we discuss some possible applications which can benefit by derived similarities.     

Lactobacillus crispatus and its nonaggregating mutant in human colonization trials

A wild-type Lactobacillus crispatus, showing a cell aggregation phenotype and its spontaneous nonaggregating mutant were compared for their in vitro adhesion properties to human ileal mucus and to a cultured human colonic cell line (Caco2) and for their in vivo colonization and adhesion potential with colonoscopy patients as volunteers in feeding trials. The wild-type strain adhered better to mucus or to Caco2 cells than did the mutant. Altogether, three human trials with the wild type and two with the mutant strain were performed. In two of the trials, the wild type could be recovered from either fecal samples or biopsies taken from the colon, while the mutant strain could not be demonstrated in either of the trials where it was used. The L. crispatus colonies recovered from the trials were often mixed, and several enterococci and lactobacillus strains coaggregating with L. crispatus wild type could be isolated. The results indicate that the surface-mediated properties, such as aggregation, of lactobacilli can have a role in adhesion and colonization.     

Optimisation of a vehicle energy absorbing steel component with experimental validation

The paper deals with the optimisation of a tapered tubular steel component to be used as an energy-absorbing device in the front structure of a vehicle body. Aim of the optimisation problem is the minimisation of a load uniformity parameter evaluated as the ratio between the maximum and the average crushing loads. The optimisation problem takes into account two design variables describing a tapered geometrical configuration, the diameter of the component at one of its bounds and the tapering length. Two improved geometrical configurations have been found and have been experimentally tested to verify the numerical results with impact velocities up to 10 m/s.     

Almost sure exponential convergence to consensus of random gossip algorithms

In this paper, we provide a proof of almost sure exponential convergence to consensus for a general class of ergodic edge selection processes. The proof is based on the multiplicative ergodic theorem of Oseledec and also applies to continuous time gossip algorithms. An example of exponential convergence in a non ergodic case is also discussed. Copyright © 2012 John Wiley & Sons, Ltd.