Screening of rationally designed oligopeptides for Listeria monocytogenes detection by means of a high density colorimetric microarray

The aim of this work was to optimize, by means of molecular modeling software, biomimetic-based traps for pathogen detection suitable for analytical applications like screening or pre-analytical methods. The pathogen prototype system chosen was Listeria monocytogenes because of the large number of X ray and NMR structures available. 298 oligopeptides were computationally designed mimicking the binding pocket of the mammalian protein E-cadherin, the target of Listeria monocytogenes adhesion, internalin A. The contribution of individual peptides to bind was investigated using FRED, a protein-ligand docking program. Ten peptides were selected for experimental analysis taking as selection parameters the length, the position in the docking pocket and the score of simulated binding energy. A series of competition assays were carried out using high density colorimetric microarray using various bacteria species (Listeria monocytogenes, Listeria monocytogenes genetically modified without internalin A, Listeria innocua and Lactococcus lactis) in solution with computationally selected peptides. The data demonstrated that peptides could be able to distinguish Listeria monocytogenes with an EC₅₀ up to 10⁷cfu × mL^?1. In particular the peptide with the best calculated binding score gave the highest statistically unambiguous response toward Listeria monocytogenes compared to other bacteria, demonstrating that rationally simulated approach can be useful as preliminary screening in the choice of biomimetic ligands.     

Anomalous flow at the inlet of pitot tubes in dilute polymer solutions part II

Summary Some correlations are presented of experimental data, which mainly concern the transition from normal to anomalous flow at the inlet of Pitot tubes in dilute polymer solutions.Such transition is associated with the onset of pressure defect, and reveals some aspects of statistical regularity; when the polymer solution is fresh, it happens at a given value of the ratio of flow velocity to Pitot tube diameter v/d, and it seems not dependent or only slightly dependent on the diameter value alone. But the aging of the solution enhances the importance of the diameter value, and the transition value of v/d increases in a different way for different diameters, more quickly in the case of the bigger ones.This behaviour together with the observation that the viscosity does not affect significantly the phenomenon, brings the authors to confirm that such solutions cannot be considered as a viscoelastic continuum, but as a fluid with a structure due to large associations of water molecules and macromolecules, whose linear dimension is significant with respect to the probe diameter.

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Sommario Vengono presentate alcune correlazioni fra i dati sperimentali che riguardano essenzialmente la transizione da flusso normale a flusso anomalo in prossimità ed all'interno della bocca dei tubi di Pitot immersi in soluzioni diluite di polimeri.La transizione è associata alla genesi del recupero incompleto di pressione e presenta caratteri di regolarità in senso statistico; con soluzioni fresche si ha transizione mediamente attorno ad un dato valore del rapporto v/d tra la velocità del flusso ed il diametro del Pitot, in modo indipendente o scarsamente dipendente dal valore del solo diametro.Ma, invecchiando la soluzione, anche il valore del diametro in sè rivela influenza, poiché il valore relativo alla transizione del rapporto v/d cresce più rapidamente per i diametri più grandi. Questo comportamento, assieme alla constatazione che la viscosità non ha influenza rilevante sul fenomeno, conduce a confermare che queste soluzioni non possono essere ritenute un continuo visco-elastico, ma piuttosto un fluido strutturato da larghe associazioni di molecole di acqua e macromolecole, con una dimensione lineare non insignificante in confronto al diametro del Pitot.

     

The palladium-catalyzed reaction of aryl iodides with mono and disubstituted acetylenes: a new synthesis of trisubstituted alkenes.

Mono and disubstituted acetylenes react with aryl iodides containing a variety of functional groups in the presence of palladium catalyst, formic acid and a tertiary amine to give trisubstituted alkenes.     

1H NMR investigation of ring mobility of 1,5-benzodiazepine-2,4-diones

The ring mobility of some 1,5-benzodiazepine-2,4-diones and 1,4-benzodiazepin-2-one has been investigated by the temperature dependence of their ¹H NMR spectra. The activation parameters have been obtained, and the influence of N-1 substitution on the ring mobility is discussed, taking into account previously reported data for similar compounds.     

VUV photon induced fluorescence study of SF5CF3

The interaction of SF(5)CF(3) with vacuum-UV radiation has been investigated by photon induced fluorescence spectroscopy. Total fluorescence yield and dispersed fluorescence spectra of SF(5)CF(3) were recorded in the 200-1000 nm fluorescence window. In all cases, the fluorescence spectra resemble those of CF(3)X (X = H, F, Cl, and Br) molecules. At photon energies below 20 eV, the emission is attributed to the excited CF(3) and CF(2) fragments. The threshold for the CF(3) emission is 10.2 +/- 0.2 eV, giving an upper limit estimate for the SF(5)-CF(3) bond dissociation energy of 3.9 +/- 0.3 eV. The excitation functions of the CF(3) and CF(2) emissions were measured in the photon energy range 13.6-27.0 eV. The resonant structures observed in SF(5)CF(3) are attributed to electronic transitions from valence to Rydberg orbitals, following similar assignments in CF(3)X molecules. The photoabsorption spectrum of SF(5)CF(3) shows features at the same energies, indicating a strong contribution from Rydberg excitations.     

Antisymmetry of solutions for some weighted elliptic problems

This article concerns the antisymmetry, uniqueness, and monotonicity properties of solutions to some elliptic functionals involving weights and a double well potential. In the one-dimensional case, we introduce the continuous odd rearrangement of an increasing function and we show that it decreases the energy functional when the weights satisfy a certain convexity-type hypothesis. This leads to the antisymmetry or oddness of increasing solutions (and not only of minimizers). We also prove a uniqueness result (which leads to antisymmetry) where a convexity-type condition by Berestycki and Nirenberg on the weights is improved to a monotonicity condition. In addition, we provide with a large class of problems where antisymmetry does not hold. Finally, some rather partial extensions in higher dimensions are also given.     

Stable pairs on elliptic K3 surfaces

We study semistable pairs on elliptic K3 surfaces with a section: we construct a family of moduli spaces of pairs, related by wall crossing phenomena, which can be studied to describe the birational correspondence between moduli spaces of sheaves of rank 2 and Hilbert schemes on the surface. In the 4-dimensional case, this can be used to get the isomorphism between the moduli space and the Hilbert scheme described by Friedman.