Propagation of periodic long waves

Summary A method is developed for the computation of the steady solution of the shallow water equations with quasi periodic boundary conditions. Because of dissipation the influence of the initial conditions becomes negligible with increasing time and the solution finally depends on the boundary conditions. The unknowns variables (velocity and surface elevation) and the boundary conditions are developed in power series of a small perturbation parameter. The problem is then transformed in a sequence of linear problems which have the same associated homogeneous problem. By separating the time and space variables in the homogeneous problem we obtain an homogeneous elliptic problem of which we compute the first eigenvalues and eigensolutions. These are related to the characteristic oscillations of the water in the basin. The solution of each linear problem is then obtained as an eigensolution expansion with time dependent coefficients. These coefficients are solutions of ordinary differential equations which can be solved directly without proceeding step by step in time. In this way we are reduced to a stationary problem i.e. the determination of the eigenvalues and eigensolutions of the elliptic problem and to the computation of several integrals needed for the determination of the time dependent coefficients. A first test of the method has been carried out for a one-dimensional problem i.e. the tidal wave in a canal of finite length and constant depth. In this case the various steps of the procedure outlined above can be performed analitically. The results have been compared with those obtained by a step by step numerical integration of the shallow water equations. The agreement between these sets of results is good for the range of values of the parameters currently used in the applications.

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Sommario Viene presentato un metodo per il calcolo della soluzione a regime delle equazioni delle onde lunghe, dipendente dalle sole condizioni al contorno quasi-periodiche, dopo aver mostrato che l'influenza delle condizioni iniziali diventa col tempo trascurabile a causa del termine di resistenza. Il metodo si basa sullo sviluppo in serie di potenze di un piccolo parametro sia delle incognite (velocità ed elevazioni del pelo libero) sia delle condizioni al contorno al fine di trasformare il problema non lineare in una serie di problemi lineari aventi lo stesso problema omogeneo associato. Con la separazione delle variabili spazio, tempo quest'ultimo problema viene ricondotto ad un problema ellittico omogeneo di cui si calcolano i primi autovalori ed autosoluzioni. Da ultimo la soluzione di ciascun problema lineare è ottenuta come sviluppo in serie di autosoluzioni a coefficienti dipendenti dal tempo: questi si ricavano risolvendo analiticamente delle equazioni differenziali ordinarie. Si elimina cosi la necessità di procedere passo passo nel tempo analogamente ai classici metodi armonici di soluzione di sistemi lineari. Riassumendo, l'applicazione del metodo riconduce alla soluzione di un problema stazionario (determinazione di autovalori ed autosoluzione del problema ellittico) e quindi al calcolo dei vari integrali necessari per la determinazione dei coefficienti temporali. Il metodo è stato provato nel caso semplice della propagazione di onde di marea in un canale di lunghezza finita e sezione costante. Per questo esempio i vari passi di calcolo possono essere svolti analiticamente. I risultati sono stati confrontati con quelli ottenuti dalla integrazione numerica delle equazioni col metodo delle caratteristiche, ottenendo un buon accordo.

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Work sponsored by the CNR (National Research Council) in the framework of Project ?Conservazione del suolo? Subproject ?Dinamica dei Litorali? Publ. n° 46.     

On the antibacterial activity of roots of Capparis spinosa L

A decoction of Capparis spinosa L. roots, widely used in the traditional folk medicine of southern Italy, was prepared and submitted to antibacterial activity tests, which showed an interesting bacteriostatic activity on the growth of Deinococcus radiophilus. Heterocyclic compounds were also recovered from the chloroformic extract of the roots.     

Using multiple short-end injections to develop fast electrophoretic separations--applications in iodide analysis

The aim of this study was to develop a fast CE separation method by using multiple short-end injections in a capillary coated with quaternary ammonium chitosan (HACC), in order to determine the iodide content of pharmaceutical formulations. The BGE was composed of 20 mM tris(hydroxymethyl)aminomethane and 11 mM hydrochloric acid, at pH 8. The internal standard used was thiocyanate. Separations were performed in a fused silica capillary (32 cm total length, 8.5 cm effective length and 50 μm i.d.) coated with HACC and direct UV detection at 220 nm. EOF was modified by flushing the capillary with polymeric solution, resulting in a semi-permanent coating of controlled and stable EOF. The EOF was anodic at pH 8. Different strategies, using single and multiple injection short-end configurations, were studied to develop a CE method that resulted in a maximum number of iodide samples analyzed per hour: one plug and flush (Sflush) 35 samples/h, one plug without flush (SWflush) 76 samples/h, four plugs and flush (Mflush) 61 samples/h, and four plugs without flush (MWflush) 80 samples/h. Using the multiple injection configuration, it was possible to inject up to four plugs using spacer electrolytes with good separation efficiency and selectivity. The voltage application time needed to separate the eight peaks (iodide and thiocyanate) with MWflush was only 12s. The method was validated and samples were analyzed using MWflush. Good linearity (R(2)>0.999); a limit of detection 0.4 mg L(-1); intermediate precision better than 3.8% (peak area) and recovery in the range of 99-102% were obtained.     

Environmentally Sustainable Achiral and Chiral Chromatographic Analysis of Amino Acids in Food Supplements

Two LC methods were developed for the achiral and chiral reversed-phase (RP) analysis of an amino acid (AA) pool in a food supplement, in compliance with the main paradigms of Green Chromatography. A direct achiral ion-pairing RP-HPLC method was optimized under gradient conditions with a water-ethanol (EtOH) eluent containing heptafluorobutyric acid (0.1%, v/v), to quantify the eight essential AAs (Ile, Leu, Lys, Met, Phe, Thr, Trp, and Val) contained in the food supplement. Thus, the usually employed acetonitrile was profitably substituted with the less toxic and more benign EtOH. The method was validated for Leu and Phe. The chiral LC method performed with a teicoplanin chiral stationary phase was developed with a water-EtOH (60:40, v/v) eluent with 0.1%, v/v acetic acid. The enantioselective analysis was carried out without any prior derivatization step. Both developed methods performed highly for all eight AAs and revealed that: (i) the content of six out of eight AAs was consistent with the manufacturer declaration; (ii) only L-AAs were present. Furthermore, it was demonstrated that a two-dimensional achiral–chiral configuration is possible in practice, making it even more environmentally sustainable. A molecular modelling investigation revealed interesting insights into the enantiorecognition mechanism of Lys.     

Synthesis,Docking Studies and Pharmacological Evaluation of Serotoninergic Ligands Containing a 5-Norbornene-2-Carboxamide Nucleus

A new series of 5-norbornene-2-carboxamide derivatives was prepared and their affinities to the 5-HT_1A, 5-HT_2A, and 5-HT_2C receptors were evaluated and compared to a previously synthesized series of derivatives characterized by exo-N-hydroxy-5-norbornene-2,3-dicarboximidenucleus, in order to identify selective ligands for the above-mentioned subtype receptors. Arylpiperazines represents one of the most important classes of 5-HT_1AR ligands, and recent research concerning new derivatives has been focused on the modification of one or more portions of such pharmacophore. The combination of structural elements (heterocyclic nucleus, propyl chain and 4-substituted piperazine), known to be critical to the affinity to 5-HT_1A receptors, and the proper selection of substituents led to compounds with high specificity and affinity towards serotoninergic receptors. The most active compounds were selected for further in vivo assays to determine their functional activity. Finally, to rationalize the obtained results, molecular docking studies were performed. The results of the pharmacological studies showed that Norbo-4 and Norbo-18 were the most active and promising derivatives for the serotonin receptor considered in this study.     

Sulle funzioni di più variabili a variazione limitata

Memoria presentata da G. Fichera     

Antioxidant Cardioprotection against Reperfusion Injury: Potential Therapeutic Roles of Resveratrol and Quercetin

Ischemia-reperfusion myocardial damage is a paradoxical tissue injury occurring during percutaneous coronary intervention (PCI) in acute myocardial infarction (AMI) patients. Although this damage could account for up to 50% of the final infarct size, there has been no available pharmacological treatment until now. Oxidative stress contributes to the underlying production mechanism, exerting the most marked injury during the early onset of reperfusion. So far, antioxidants have been shown to protect the AMI patients undergoing PCI to mitigate these detrimental effects; however, no clinical trials to date have shown any significant infarct size reduction. Therefore, it is worthwhile to consider multitarget antioxidant therapies targeting multifactorial AMI. Indeed, this clinical setting involves injurious effects derived from oxygen deprivation, intracellular pH changes and increased concentration of cytosolic Ca²⁺ and reactive oxygen species, among others. Thus, we will review a brief overview of the pathological cascades involved in ischemia-reperfusion injury and the potential therapeutic effects based on preclinical studies involving a combination of antioxidants, with particular reference to resveratrol and quercetin, which could contribute to cardioprotection against ischemia-reperfusion injury in myocardial tissue. We will also highlight the upcoming perspectives of these antioxidants for designing future studies.     

Structural and thermodynamic studies of the interaction of distamycin A with the parallel quadruplex structure [d(TGGGGT)]4

The complex between distamycin A and the parallel DNA quadruplex [d(TGGGGT)]4 has been studied by 1H NMR spectroscopy and isothermal titration calorimetry (ITC). To unambiguously assert that distamycin A interacts with the grooves of the quadruplex [d(TGGGGT)]4, we have analyzed the NMR titration profile of a modified quadruplex, namely [d(TGGMeGGT)]4, and we have applied the recently developed differential frequency-saturation transfer difference (DF-STD) method, for assessing the ligand-DNA binding mode. The three-dimensional structure of the 4:1 distamycin A/[d(TGGGGT)]4 complex has been determined by an in-depth NMR study followed by dynamics and mechanics calculations. All results unequivocally indicate that distamycin molecules interact with [d(TGGGGT)]4 in a 4:1 binding mode, with two antiparallel distamycin dimers that bind simultaneously two opposite grooves of the quadruplex. The affinity between distamycin A and [d(TGGGGT)]4 enhances ( approximately 10-fold) when the ratio of distamycin A to the quadruplex is increased. In this paper we report the first three-dimensional structure of a groove-binder molecule complexed to a DNA quadruplex structure.