Genetic and phytochemical difference between some Indian and Italian plants of Withania somnifera (L.) Dunal

The geographical distribution of Withania somnifera (L.) Dunal is quite wide. However, in Italy, this species is very rare and grows spontaneously only in Sicily and in Sardinia. The PCR-RAPD technique has been utilized in this work to determine the genetic relationship among Sicilian, Sardinian and Indian samples and the HPLC analysis of whitaferin A was used as a marker to evaluate the phytochemical differences. The genetic difference between Indian and Sicilian plants of W. somnifera turned out to be smaller than that between Indian and Sardinian plants of this species. The phytochemical analysis as well showed that the Sardinian specimen strongly differed from the Indian and Sicilian ones in its contents of withaferin A. Our results seem to confirm the hypothesis that the Italian populations of this species may not be indigenous but naturalised. Due to the high withaferin A content of the Sardinian samples, these plants could be used as a source for pharmaceutical purposes.     

Nearest level spacing statistics in open chaotic systems: generalization of the Wigner surmise

We investigate the nearest level spacing statistics of open chaotic wave systems. To this end we derive the spacing distributions for the three Wigner ensembles in the one-channel case. The theoretical results give a clear physical meaning of the modifications on the spacing distributions produced by the coupling to the environment. Based on the analytical expressions obtained, we then propose general expressions of the spacing distributions for any number of channels, valid from weak to strong coupling. The latter expressions contain one free parameter. The surmise is successfully compared with numerical simulations of non-Hermitian random matrices and with experimental data obtained with a lossy electromagnetic chaotic cavity.     

Weak continuity in convection problems

Basic aspects of steady natural convection in fluid-saturated porous media are studied, such as the existence of weak solutions, some regularity properties, a minimax principle and the determination of a sufficient condition for uniqueness, which is very unlikely to happen if the Rayleigh number is not less than a critical value.     

New Spectroscopic Information on 98Pd

Neutron deficient ⁹⁸Pd nuclei were produced in the ⁵⁰Cr(⁵⁸Ni,2p2α)⁹⁸Pd reaction at a beam energy of 261 MeV. A revision and extension of the level structure of ⁹⁸Pd is proposed. About 40 new transitions have been assigned to, and placed in the level scheme of this nucleus. A sequence of states are candidates for the negative parity 4—quasiparticle states built on the πg _9/2 ^?3 πp _1/2 ^?1 configuration predicted in the framework of the nuclear shell model.     

Structure and reactivity of vanadium-phosphorus oxides

The contribution of thermal methods of analysis to the study of the structure and reactivity of vanadium-phosphorus oxides is examined. In particular, data are reported on the solid-state reaction VOHPO₄·1/2H₂O(VO)₂P₂O₇+2 H₂O for VOHPO₄·1/2H₂O prepared in different ways, on the redox properties of oxidation and reduction of vanadium for catalysts prepared with different PV atomic ratios in the range 0.9–1.3, and on the surface properties determined by TPD of catalysts with different PV ratios. The relationship between these properties and the catalytic properties in the selective oxidation ofn-butane and but-1-ene is discussed.

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Zusammenfassung Der Beitrag thermischer Analysenmethoden zur Untersuchung der Struktur und Reaktivität von Vanadin-Phosphor-Oxiden wird erörtert. Insbesondere werden sich auf die Festkörperreaktion 2VOHPO₄.1/2H₂O(VO)₂P₂O₇+2H₂O für auf verschiedene Weise dargestelltes VOHPO₄.1/2H₂O, auf die Redox-Eigenschaften von Vanadin in Katalysatoren mit P/V-Atomverhältnissen im Bereich 0.9–1.3 und auf durch TPD bestimmte Oberflächeneigenschaften von Katalysatoren mit unterschiedlichen P/V-Verhältnissen beziehende Angaben gemacht. Zusammenhänge zwischen diesen Eigenschaften und den katalytischen Eigenschaften bei der selektiven Oxydation von n-Butan und N-Buten werden diskutiert.

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- . , VOHPO₄ · 1/2H₂O, VOHPO₄ · 1/2H₂O(VO)₂P₂O₇ + 2H₂O, - PV 0,91,3. - 1-.

     

Characterization of the bis(β-diimino-tetracyano-pyrrolizinido)-metal(II) complexes incorporated in polymeric matrices

The bis(-diimino-tetracyano-pyrrolizinido)-Cu(II) complex (CuL₂) has been incorporated in polystyrene (0.28% w/w), by evaporating tetrahydrofuran solutions either at room temperature (a) or at 100°C (b). From IR and UV-vis measurements and optical microscopy on the resulting films (a orb, thickness 50 m) it is concluded that CuL₂ is present as a concentrated (C10^–1 M) THF solution ina and as small solid particles (diameter <1 m) inb. The difference in colour of the films (dark bluea, light blueb), due to the different physical state of CuL₂ in the matrix, is expected, and has been preliminarily shown using similar films based on NiL₂, to be useful for sensing organic vapours in the atmosphere.     

Recent Advances in In Silico Target Fishing

In silico target fishing, whose aim is to identify possible protein targets for a query molecule, is an emerging approach used in drug discovery due its wide variety of applications. This strategy allows the clarification of mechanism of action and biological activities of compounds whose target is still unknown. Moreover, target fishing can be employed for the identification of off targets of drug candidates, thus recognizing and preventing their possible adverse effects. For these reasons, target fishing has increasingly become a key approach for polypharmacology, drug repurposing, and the identification of new drug targets. While experimental target fishing can be lengthy and difficult to implement, due to the plethora of interactions that may occur for a single small-molecule with different protein targets, an in silico approach can be quicker, less expensive, more efficient for specific protein structures, and thus easier to employ. Moreover, the possibility to use it in combination with docking and virtual screening studies, as well as the increasing number of web-based tools that have been recently developed, make target fishing a more appealing method for drug discovery. It is especially worth underlining the increasing implementation of machine learning in this field, both as a main target fishing approach and as a further development of already applied strategies. This review reports on the main in silico target fishing strategies, belonging to both ligand-based and receptor-based approaches, developed and applied in the last years, with a particular attention to the different web tools freely accessible by the scientific community for performing target fishing studies.     

Sirtuin 1-Activating Compounds: Discovery of a Class of Thiazole-Based Derivatives

Sirtuin 1 (SIRT1) is a NAD⁺-dependent deacetylase implicated in various biological and pathological processes, including cancer, diabetes, and cardiovascular diseases. In recent years, SIRT1-activating compounds have been demonstrated to exert cardioprotective effects. Therefore, this enzyme has become a feasible target to treat cardiovascular diseases, and many SIRT1 activators, of a natural or synthetic origin, have been identified. In the present work, we developed thiazole-based SIRT1 activators, which showed remarkably higher SIRT1 activation potencies compared with those of the reference compound resveratrol when tested in enzymatic assays. Thiazole 8, a representative compound of this series, was also subjected to further pharmacological investigations, where it was proven to reduce myocardial damage induced by an in vivo occlusion/reperfusion event, thus confirming its cardioprotective properties. In addition, the cardioprotective effect of compound 8 was significantly higher than that of resveratrol. Molecular modeling studies suggest the binding mode of these derivatives within SIRT1 in the presence of the p53-AMC peptide. These promising results could pave the way to further expand and optimize this chemical class of new and potent SIRT1 activators as potential cardioprotective agents.