Two-component organic crystals without hydrogen bonding: structure and intermolecular interactions in bimolecular stacking

A survey of crystal structures including two organic compounds unable to form hydrogen bonding has been carried out using the Cambridge Structural Database. Such systems are common and numerous. Association modes mostly include stacking of flat systems, one of them usually being an aromatic hydrocarbon. \u201cAlternate-ladder\u201d (AL) and \u201cslanted column\u201d (SC) motifs occur most frequently; AL is somewhat prevalent in fluoroarene and pyromellitic dianhydride cocrystals, whereas SC occurs preferentially, but not exclusively, with quinones, nitrobenzene, TCNB and TCNQ coformers. Segregation of A and B chemical units in separate columns is very seldom observed, while A efB is the energetically dominating pair in a vast majority of the cases. A stable network of stacked A efB units seems to be a strict requirement for observing cocrystallization, even more than an overall higher stability of the cocrystal with respect to its coformers. This highlights the central role of kinetic factors in determining the drive to stacking heterorecognition. Energy dissection using the PIXEL scheme shows that dispersion energies play a dominant but not exclusive role. The interaction between flat organic systems is found to be a viable synthetic approach for cocrystallization, on the same footing as the more popular O\u2013H efO, O\u2013H efN and N\u2013H efO hydrogen bonding. Some practical suggestions for the choice of the best coformers are provided

Sulle orme del consumatore affinity analysis e knowledge visualization per il processo decisionale

L\u2019articolo analizza i reali comportamenti di acquisto dell\u2019acquirente all\u2019interno del punto vendita e individua i pattern latenti pi\uf9 significativi attraverso un\u2019analisi di affinit\ue0 di 128.364 scontrini estratti da un dataset di 715.662 transazioni effettuate in un anno. Lo studio individua le strutture associative pi\uf9 ricorrenti relativamente alla singola merceologia. Attraverso la tecnica della Market Basket Analysis \ue8 stato possibile individuare le categorie merceologiche che creano \u201cpoli d\u2019attrazione\u201d sul punto vendita stimolando acquisti di altre categorie. In particolar modo, applicando le regole associative sul punto vendita \ue8 stato possibile identificare le \u201caree calde\u201d e le \u201caree fredde\u201d. L\u2019articolo evidenzia quindi alcune riflessioni sulle strategie che possono adottare gli store manager

Smart Analogue Sampler for the Optical Module of a Cherenkov Neutrino Detector

A transient waveform sampler/recorder IC has been developed and realized in AMS C35B4 technology. This chip has been designed to fit the needs of a proposal for a front-end architecture for the readout of the anode signal of the photomultipliers in an underwater neutrino telescope. The design is based around a 3 channels x 32 cells switched capacitor array unit sampling its voltage inputs at 200MHz external clock rate and transferring the stored analogue voltage samples to its single analogue output at 1/10th of the sampling rate. This unit is replicated inside the ASIC providing 4 independent analogue sampling queues for signal transients up to 32 x 5 ns and a fifth unit storing transients up to 128 x 5 ns. A micro-pipelined unit, based on Muller C-gates, controls the 5 independent samplers. This paper briefly summarizes the complete front-end architecture and discusses in more detail the internal structure of the ASIC and its first functional tests

Rosemary extract (Rosmarinus officinalis L.) supplementation into the diet of Nero Siciliano pigs: effects on lipid oxidation

During the growing-fattening period (93 days; ILW 33.5±6 kg to FLW 67±3 kg), 30 Nero Siciliano pigs were fed on a basal diet supplemented with (ROX group) or not (CTR group) a rosemary extract (1g?kg-1). At 1, 3 and 5 days after slaughtering, the oxidative stability of the Longissimus dorsi muscle was determined by using TBArs test. Moreover, on the individual samples of the muscle the lipid content, the fatty acid and the sterol composition were determined; the acidic composition of the lard, removed from backfat, was also studied. Data were subjected to ANOVA. The fat content of the muscle was unaffected by the dietary treatment as well as the oxidative stability whereas, significant differences (P²0.01) were observed for the polyunsaturated fatty acid content which showed the highest values in the meat as well as in the lard of the ROX group; PUFA/SFA ratio was also significantly highest in the muscle (P=0.004) and in the lard (P=0.017) of the ROX group, testifying a possible antioxidative activity of the rosemary extract. The sterol fraction (cholesterol, cholestanol, stigmasterol, beta-sitosterol and delta 5-avenasterol) of the Longissimus dorsi muscle was unaffected by the rosemary supplementation; a significant difference was observed only for the campesterol (CTR group=1.08, ROX group=0.90; P = 0.021)

A Concerted Investigation For Metal/Semiconductor Nanointerface : Interlayer Charge Transfer At Ag/TiO2

In the field of hybrid materials, suitably designed nanoheterojunctions enhance synergistic functionalities and allow to obtain \u201cbrave new materials\u201d with physicochemical properties that are not simply the addition of the precursors\u2019 ones, but are completely new, different, and sometimes unexpected. For these reasons, the use of them has paved the way toward promising applications in many fields, such as electrocatalysis, photocatalysis, electroanalysis, and environmental chemistry, impacting on the everyday life [1]. However, research on such systems is most often dominated by trial and error procedures, while a deep atomistic understanding of the phenomena inside the junction region driving appropriate design of the final device is missing. Here, a concerted theoretical and electrochemical investigation is proposed to gain insights into the important class of heterojunctions made by metal-semiconductor interfaces. The presented case of study is the silver/anatase hybrid nanocomposite, a very promising material for advanced sensing applications [2]. Considering that in most cases titania semiconductors are useless in electroanalysis and silver is subject to fouling and oxidation/passivation, such broad outcomes were totally unexpected. Specifically, Ag/TiO2 interfase provided the first photorenewable sensor device, pushing the limits in terms of accuracy, sensitivity, detection limits, and photoactivity [3]. Despite the ongoing research, a quantitative and comprehensive understanding of the physics behind this nanocomposite is still missing, thus preventing its full exploitation and the extension of the same paradigm to other systems and devices. In particular, cyclic voltammetry and electrochemical impedance spectroscopy are used in combination with periodic plane-wave DFT calculations, giving comparable qualitative, but also quantitative results. We measure the exceptional electrochemical virtues of the Ag/TiO2 junction in terms of current densities and reproducibility, providing their explanation at the atomic-scale level and demonstrating how and why silver acts as a positive electrode [4]. We theoretically estimate the overall amount of electron transfer toward the semiconductor side of the interface at equilibrium and suitably designed electrochemical experiments strictly agree with the theoretical charge transfer estimates. Moreover, photoelectrochemical measurements and theoretical predictions show the unique permanent charge separation occurring in the device, possible because of the synergy of Ag and TiO2, which exploits in a favorable band alignment, in a smaller electron\u2013hole recombination rate and in a reduced carrier mobility when electrons cross the metal\u2013semiconductor interface. Finally, the hybrid material is proven to be extremely robust against aging, showing complete regeneration, even after one year [4]. [1] A.V. Emeline, V.N. Kuznetsov, V.K. Ryabchuk, N. Serpone, Environ. Sci. Pollut. Res. 19 (2012) 3666\u20133675. [2] G. Soliveri, V. Pifferi, G. Panzarasa, S. Ardizzone, G. Cappelletti, D. Meroni, K. Sparnacci, L. Falciola, Analyst 140 (2015) 1486\u20131494. [3] V. Pifferi, G. Soliveri, G. Panzarasa, G. Cappelletti, D. Meroni, L. Falciola, Anal. Bioanal. Chem. 408 (2016) 7339\u20137349. [4] G. Di Liberto, V. Pifferi, L. Lo Presti, M. Ceotto, and L. Falciola, J. Phys. Chem. Lett. 8 (2017) 5372\u20135377

A Concerted Electrochemical and Theoretical Investigation of the Ag/TiO2 nano-heterojunction

Suitably designed nano-heterojunctions are able to enhance synergistic functionalities of different materials yielding to \u201cbrave new systems\u201d with innovative and sometimes unexpected physicochemical properties [1]. However, the complete understanding of these devices has to be deeply studied. In this work, a concerted theoretical and electrochemical investigation is proposed to gain insights into a metal-semiconductor interface, namely that created by the silver/anatase hybrid nanocomposite, a promising material for advanced sensing applications [2]. In particular, it provided the first photorenewable and anti-fouling sensor device, enhancing the analytical limits in terms of accuracy, sensitivity, detection limits, and photoactivity [3]. Furthermore, the hybrid material is proven to be extremely robust against aging, showing complete regeneration, also after one-year storage. The electrochemical/electroanalytical virtues of the Ag/TiO2 junction were evaluated in terms of current densities and reproducibility, providing their explanation at the atomic-scale level and demonstrating how and why the final device can act as silver-cation positive electrode [4]. Moreover, Cyclic Voltammetry and Electrochemical Impedance Spectroscopy were used in combination with periodic plane-wave DFT calculations, giving comparable qualitative but also quantitative results. In particular, we theoretically estimated the overall amount of electron transfer toward the semiconductor side of the interface at equilibrium and suitably designed electrochemical experiments, which strictly agree with the theoretical charge transfer estimates. Moreover, photoelectrochemical measurements and theoretical predictions show the unique permanent charge separation occurring in the device [4]. [1] A.V. Emeline, V.N. Kuznetsov, V.K. Ryabchuk, N. Serpone, Environ. Sci. Pollut. Res., 2012, 19, 3666\u20133675. [2] G. Soliveri, V. Pifferi, G. Panzarasa, S. Ardizzone, G. Cappelletti, D. Meroni, K. Sparnacci, L. Falciola, Analyst, 2015, 140, 1486\u20131494. [3] V. Pifferi, G. Soliveri, G. Panzarasa, G. Cappelletti, D. Meroni, L. Falciola, Anal. Bioanal. Chem., 2016, 408, 7339\u20137349. [4] G. Di Liberto, V. Pifferi, L. Lo Presti, M. Ceotto, L. Falciola, J. Phys. Chem. Lett., 2017, 8, 5372\u20135377

Roadmapping the Transition to Water Resource Recovery Facilities: The Two Demonstration Case Studies of Corleone and Marineo (Italy)

The current exploitation of freshwater, as well as the significant increase in sewage sludge production from wastewater treatment plants (WWTPs), represent nowadays a critical issue for the implementation of sustainable development consistent with the circular economy concept. There is an urgent need to rethink the concept of WWTPs from the conventional approach consisting in pollutant removal plants to water resource recovery facilities (WRRFs). The aim of this paper is to provide an overview of the demonstration case studies at the Marineo and Corleone WRRFs in Sicily (IT), with the final aim showing the effectiveness of the resources recovery systems, as well as the importance of plant optimization to reduce greenhouse gas (GHG) emissions from WRRFs. This study is part of the H2020 European Project “Achieving wider uptake of water-smart solutions—Wider-Uptake”, which final aim is to demonstrate the water-smart solution feasibility in the wastewater sector. The main project goal is to overcome the existing barriers that hamper the transition to circularity through the implementation of a governance analysis tool. The preliminary actions in the two demonstration cases are first presented, while, subsequently, the water-smart solutions to be implemented are thoroughly described, highlighting their roles in the transition process. The achieved preliminary results underlined the significant potential of WRRF application, a great chance to demonstrate the feasibility of innovative solutions in the wastewater sector to overcome the existing social, administrative and technical barriers

Water resource recovery facilities (Wrrfs): The case study of palermo university (Italy)

The wastewater sector paradigm is shifting from wastewater treatment to resource recovery. In addition, concerns regarding sustainability during the operation have increased. In this sense, there is a need to break barriers (i.e., social, economic, technological, legal, etc.) for moving forward towards water resource recovery facilities and demonstration case studies can be very effective and insightful. This paper presents a new water resource recovery case study which is part of the Horizon 2020 EU Project “Achieving wider uptake of water-smart solutions—Wider Uptake”. The final aim is to demonstrate the importance of a resource recovery system based on the circular economy concept. The recovery facilities at Palermo University (Italy) are first presented. Afterwards, the resource recovery pilot plants are described. Preliminary results have underlined the great potential of the wastewater treatment plant in terms of resources recovery and the central role of the University in fostering the transition towards circular economy. The fermentation batch test highlighted a volatile fatty acids (VFAs) accumulation suitable for polyhydroxyalkanoates (PHAs) production. The results of static adsorption and desorption tests showed that the highest amount of adsorbed NH4+ was recorded for untreated and HCl-Na treated clinoptilolite

Crystal structure and structural phase transitions in the GdBaCo2O5.0 cobaltite

We present an accurate investigation of the prototypical rare-earth cobaltite GdBaCo2O5.0 by complementary synchrotron powder and conventional source single-crystal x-ray diffraction experiments. The correct space group (Pmmm) and the accurate crystallographic structure of this compound at room temperature (RT) have been determined. By increasing T a second-order structural-phase transition to a tetragonal structure with space group P4/mmm at T 48 331 K is found. Close to the N\ub4eel temperature (TN 48 350 K), anomalies appear in the trend of the lattice constants, suggesting that the structural phase transition is incipient at TN. A possible mechanism for this complex behavior is suggested

Severe cutaneous neoformations in animals caused by co-infection of orf virus and orthopoxvirus: A possible zoonosis?

n/