Design, synthesis and biological activity of selective hCAs inhibitors based on 2-(benzylsulfinyl)benzoic acid scaffold

A large library of derivatives based on the scaffold of 2-(benzylsulfinyl)benzoic acid were synthesised and tested as atypical inhibitors against four different isoforms of human carbonic anhydrase (hCA I, II, IX and XII, EC 4.2.1.1). The exploration of the chemical space around the main functional groups led to the discovery of selective hCA IX inhibitors in the micromolar/nanomolar range, thus establishing robust structure-activity relationships within this versatile scaffold. HPLC separation of some selected chiral compounds and biological evaluation of the corresponding enantiomers was performed along with molecular modelling studies on the most active derivatives

The localization spread and polarizability of rings and periodic chains

The localization spread gives a criterion to decide between metallic and insulating behavior of a material. It is defined as the second moment cumulant of the many-body position operator, divided by the number of electrons. Different operators are used for systems treated with open or periodic boundary conditions. In particular, in the case of periodic systems, we use the complex position definition, which was already used in similar contexts for the treatment of both classical and quantum situations. In this study, we show that the localization spread evaluated on a finite ring system of radius R with open boundary conditions leads, in the large R limit, to the same formula derived by Resta and co-workers [C. Sgiarovello, M. Peressi, and R. Resta, Phys. Rev. B 64, 115202 (2001)] for 1D systems with periodic Born-von Kármán boundary conditions. A second formula, alternative to Resta’s, is also given based on the sum-over-state formalism, allowing for an interesting generalization to polarizability and other similar quantities

Side-effects of a number of insecticides on predatory mites in apple orchards

Background: Amblyseius andersoni is a common predatory mite occurring in fruit orchards located in Europe and North America. Its role in preventing spider mite outbreaks is widely recognized, in particular when selective pesticides are used. The compatibility between plant protection products and predatory mites is crucial to preserve their activity. There is a need to investigate the effects of pesticides on beneficials using multiple approaches. Objectives: Field and laboratory experiments were conducted to evaluate the effects of a number of insecticides on A. andersoni. Methods: The effects of neonicotinoids (i.e., acetamiprid, imidacloprid, thiacloprid, thia-methoxam) were compared with those of pyrethroids (i.e., tau-fluvalinate), well known for their negative impact on predatory mites. Insecticides were applied 1-3 times in an experimental fruit orchard located in Northern Italy. Laboratory trials focused on their effects on the survival and the fecundity of predatory mite females. Results: Field experiments showed a decline in predatory mite numbers in plots treated with neonicotinoids or tau-fluvalinate compared to the untreated control. However, predatory mites in neonicotinoid plots reached higher densities compared to those recorded in tau-fluvalinate plots. Spider mite (Panonychus ulmi) populations reached moderate to high densities in plots treated with tau-fluvalinate while their densities were negligible in the remaining plots. Amblyseius andersoni survival was moderately affected by some neonicotinoids in the laboratory while they significantly reduced predatory mite fecundity. In contrast tau-fluvalinate exerted severe effects on survival and fecundity of predatory mites. Finally, escaping rate increased after pesticide exposure suggesting possible alterations in predatory mite behavior. Conclusions: Neonicotinoid applications significantly affected predatory mite densities in field conditions and this phenomenon appeared to be influenced by their impact on female fecundity. Their effects on survival were less severe. Implications of these results for IPM tactics in fruit orchards are discusse

A hardware implementation of Region-of-Interest selection in LAr-TPC for data reduction and triggering

Large Liquid Argon TPC detectors in the range of multikton mass for neutrino and astroparticle physics require the extraction and treatment of signals from some 105 wires. In order to enlarge the throughtput of the DAQ system an on-line lossless data compression has been realized reducing almost a factor 4 the data flow. Moreover a trigger system based on a new efficient on-line identification algorithm of wire hits was studied, implemented on the actual ICARUS digital read- out boards and fully tested on the ICARINO LAr-TPC facility operated at LNL INFN Laboratory with cosmic-rays. Capability to trigger isolated low energy events down to 1 MeV visible energy was also demonstrated.Comment: 26 pages, 26 Figure; to be submitted to JINS

HST color-magnitude diagrams of 74 galactic globular clusters in the HST F439W and F555W bands

We present the complete photometric database and the color-magnitude diagrams for 74 Galactic globular clusters observed with the HST/WFPC2 camera in the F439W and F555W bands. A detailed discussion of the various reduction steps is also presented, and of the procedures to transform instrumental magnitudes into both the HST F439W and F555W flight system and the standard Johnson B and V systems. We also describe the artificial star experiments which have been performed to derive the star count completeness in all the relevant branches of the color magnitude diagram. The entire photometric database and the completeness function will be made available on the Web immediately after the publication of the present paper.Comment: 21 pages, 77 figures. High resolution version of this paper can be retrived at http://dipastro.pd.astro.it/globular

Development of Praziquantel sulphonamide derivatives as antischistosomal drugs

The almost empty armamentarium to treat schistosomiasis, a neglected parasitic disorder caused by trematode flatworms of the genus Schistosoma, except Praziquantel (PZQ), urged to find new alternatives to fight this infection. Carbonic Anhydrase from Schistosoma mansoni (SmCA) is a possible new target against this nematode. Here, we propose new PZQ derivatives bearing a primary sulphonamide group in order to obtain hybrid drugs. All compounds were evaluated for their inhibition profiles on both humans and Schistosoma CAs, X-ray crystal data of SmCA and hCA II in adduct with some inhibitors were obtained allowing the understanding of the main structural factors responsible of activity. The compounds showed in vitro inhibition of immature and adult S. mansoni, but further optimisation is required for improved activity

Neurophysiological markers predicting recovery of standing in humans with chronic motor complete spinal cord injury

The appropriate selection of individual-specific spinal cord epidural stimulation (scES) parameters is crucial to re-enable independent standing with self-assistance for balance in individuals with chronic, motor complete spinal cord injury, which is a key achievement toward the recovery of functional mobility. To date, there are no available algorithms that contribute to the selection of scES parameters for facilitating standing in this population. Here, we introduce a novel framework for EMG data processing that implements spectral analysis by continuous wavelet transform and machine learning methods for characterizing epidural stimulation-promoted EMG activity resulting in independent standing. Analysis of standing data collected from eleven motor complete research participants revealed that independent standing was promoted by EMG activity characterized by lower median frequency, lower variability of median frequency, lower variability of activation pattern, lower variability of instantaneous maximum power, and higher total power. Additionally, the high classification accuracy of assisted and independent standing allowed the development of a prediction algorithm that can provide feedback on the effectiveness of muscle-specific activation for standing promoted by the tested scES parameters. This framework can support researchers and clinicians during the process of selection of epidural stimulation parameters for standing motor rehabilitation