Energy spectra of two interacting fermions with spin-orbit coupling in a harmonic trap

We explore the two-body spectra of spin-$1/2$ fermions in isotropic harmonic traps with external spin-orbit potentials and short range two-body interactions. Using a truncated basis of total angular momentum eigenstates, non-perturbative results are presented for experimentally realistic forms of the spin-orbit coupling: a pure Rashba coupling, Rashba and Dresselhaus couplings in equal parts, and a Weyl-type coupling. The technique is easily adapted to bosonic systems and other forms of spin-orbit coupling.Comment: 12 pages, 9 figure

ANTI-STAPHYLOCOCCAL BIOFILM ACTIVITY OF NOVEL SORTASE A (SRTA) INHIBITORS

Pathogenic staphylococci have an extraordinary ability to form biofilms. This characteristic is likely the most important virulence factor of staphylococci in the development of the chronic form of infectious diseases and in biomaterial associated infections (BAI). Staphylococcal biofilms are particularly dangerous because they are more resistant to host immune defence system and have a significantly increased tolerance to conventional antibiotics. There is undoubtedly an urgent need for novel treatments, strategies and anti-staphylococcal biofilm agents. The Sortase A (SrtA) transpeptidase is responsible for covalent anchoring to the cell wall of various surface proteins (FnbpA, FnbpB, ClfA, ClfB, Protein A, etc.) that have a direct role in the pathogenesis and in the first stage of biofilm formation and because of this it can be considered a good target candidate to design agents that could interfere with virulence mechanism including biofilm formation. With the aim to discover new SrtA inhibitors, a library of 50000 low-molecular weight compounds was screened in a high throughput assay by using the standard Dabcyl-QALPETGEE-Edans fluorescence resonance energy transfer (FRET)- peptide substrate for measurement of enzyme activity. A group of the selected 38 most potent compounds and 3 known reference inhibitors were further evaluated in an in vitro biofilm formation assay at a screening concentration of 10\ub5g/ml using three reference staphylococcal strains S.aureus 29213, 6538 and S.epidermidis RP62A. An interesting correlation between inhibition of SrtA and biofilm formation inhibition was observed in many cases especially at a concentration equal or more than IC50 determined as SrtA inhibitors

Non-covalent interactions in organotin(IV) derivatives of 5,7-ditertbutyl- and 5,7-diphenyl-1,2,4-triazolo[1,5-a]pyrimidine as recognition motifs in crystalline self- assembly and their in vitro antistaphylococcal activity

Non-covalent interactions are known to play a key role in biological compounds due to their stabilization of the tertiary and quaternary structure of proteins [1]. Ligands similar to purine rings, such as triazolo pyrimidine ones, are very versatile in their interactions with metals and can act as model systems for natural bio-inorganic compounds [2]. A considerable series (twelve novel compounds are reported) of 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine (dbtp) and 5,7-diphenyl- 1,2,4-triazolo[1,5-a]pyrimidine (dptp) were synthesized and investigated by FT-IR and 119Sn M\uf6ssbauer in the solid state and by 1H and 13C NMR spectroscopy, in solution [3]. The X-ray crystal and molecular structures of Et2SnCl2(dbtp)2 and Ph2SnCl2(EtOH)2(dptp)2 were described, in this latter pyrimidine molecules are not directly bound to the metal center but strictly H-bonded, through N(3), to the -OH group of the ethanol moieties. The network of hydrogen bonding and aromatic interactions involving pyrimidine and phenyl rings in both complexes drives their self-assembly. Noncovalent interactions involving aromatic rings are key processes in both chemical and biological recognition, contributing to overall complex stability and forming recognition motifs. It is noteworthy that in Ph2SnCl2(EtOH)2(dptp)2 \u3c0\u2013\u3c0 stacking interactions between pairs of antiparallel triazolopyrimidine rings mimick basepair interactions physiologically occurring in DNA (Fig.1). M\uf6ssbauer spectra suggest for Et2SnCl2(dbtp)2 a distorted octahedral structure, with C-Sn-C bond angles lower than 180\ub0. The estimated angle for Et2SnCl2(dbtp)2 is virtually identical to that determined by X-ray diffraction. Ph2SnCl2(EtOH)2(dptp)2 is characterized by an essentially linear C-Sn-C fragment according to the X-ray all-trans structure. The compounds were screened for their in vitro antibacterial activity on a group of reference staphylococcal strains susceptible or resistant to methicillin and against two reference Gramnegative pathogens [4] . We tested the biological activity of all the specimen against a group of staphylococcal reference strains (S. aureus ATCC 25923, S. aureus ATCC 29213, methicillin resistant S. aureus 43866 and S. epidermidis RP62A) along with Gram-negative pathogens (P. aeruginosa ATCC9027 and E. coli ATCC25922). Ph2SnCl2(EtOH)2(dptp)2 showed good antibacterial activity with a MIC value of 5 \u3bcg mL-1 against S. aureus ATCC29213 and also resulted active against methicillin resistant S. epidermidis RP62A

Fragments of -thymosin from the sea urchin Paracentrotus lividus as potential antimicrobial peptides against staphylococcal biofilms

The immune mediators in echinoderms can be a potential source of novel antimicrobial peptides (AMPs) applied toward controlling pathogenic staphylococcal biofilms that are intrinsically resistant to conventional antibiotics. The peptide fraction <5 kDa from the cytosol of coelomocytes of the sea urchin Paracentrotus lividus (5-CC) was tested against a group of Gram-positive and Gram-negative pathogen reference strains. The 5-CC of P. lividus was active against all planktonic-tested strains but also showed antibiofilm properties against staphylococcal strains. Additionally,wedemonstrated the presenceof three smallpeptides in the5-CCbelonging tosegment 9-41of aP. lividus -thymosin. The smallest of these peptides in particular, showed the common chemical\u2013physical characteristics of AMPs. This novel AMP from -thymosin has high potential activity as an antibiofilm agent, acting on slow-growing bacterial cells that exhibit a reduced susceptibility to conventional antibiotics and represent a reservoir for recurrent biofilm-associated infections

De novo design of antimicrobial and antibiofilm peptides starting from desert truffle Tirmania pinoyi peptides

With the aim of discovering new routes in the research of antimicrobials, we focused on polypeptide- enriched extracts derived from edible desert truffle mushroom Tirmania pinoyi. The extracts showed an interesting activity with MIC=50 μg/mL against Staphylococcus aureus ATCC 29213 and Pseudomonas aeruginosa ATCC 15442. Through mass spectrometry analysis (RP-HPLC/ nESI-MS/MS) the following eight novel peptides FDVVPKTAANFRAL, AVTVGASTLADERA, FLVGGASLKPEF, VARIFAVFNDTF, HLVDEPQNLLK, LGEYGFQNALLR, FAVNGGCAKET, SREDLHPKL were detected. To characterize them online websites were used: IAMPpred, DPBAAS, Cell-PPD, ToxinPred, HemoPI, PeptideCutter and HLP. The analysis indicated that some peptides showed negative or neutral charge, hydrophobic ratio between 42% and 67%, Boman Index &lt; 2.25 kCal/mol. According to the “APD3: Antimicrobial Peptide Calculator and Predictor” tool of the Antimicrobial Peptide Database (APD) similarities (around 30-40%) with known antimicrobial peptides (AMPs) identified in amphibians were also detected. In contrast, the predicted antimicrobial, antifungal and antibiofilm activity was not significant. In order to improve biological and physico-chemical properties, the sequences of natural peptides were modified using APD3, by replacing some hydrophilic and negative charged amino acids with hydrophobic and positive ones. The derivative sequences (GWDVVPKTWWKFRAL, KWTWGASTLAKKRA, FLRGGWSLKPKF, KWRIFWVFNKTF, HLVKRWQNLLK, KGKYRFWNALLR, FARWGGCAKRT, SRKWLHPWL) showed net positive charge between +2 and +4, hydrophobic ratio between 42% and 48%, Boman Index &lt; 2.25 kCal/mol and high stability. Moreover, the predicted antimicrobial, antifungal and antibiofilm activity was high, without toxic or hemolytic effects. In conclusion, bioinformatic analysis has demonstrated that novel peptides discovered in T. pinoyi may be considered new platforms for the design of novel antimicrobial and antibiofilm peptides to counteract multi-drug resistant pathogens

Assessment of energy return on energy investment (EROEI) of oil bearing crops for renewable fuel production

As reported in literature the production of biodiesel should lead to a lower energy consumption than those obtainable with its use. So, to justify its consumption, a sustainable and “low input” production should be carried out. In order to assess the sustainability of Linum usitatissimum, Camelina sativa and Brassica carinata cultivation for biodiesel production in terms of energy used compared to that obtained, the index EROEI (Energy Return On Energy Invested) has been used. At this aim, an experimental field was realised in the south-eastern Sicilian land. During the autumn-winter crop cycle, no irrigation was carried out and some suitable agricultural practices have been carried out taking into account the peculiarity of each type of used seeds. The total energy consumed for the cultivation of oil bearing crops from sowing to the production of biodiesel represents the Input of the process. In particular, this concerned the energy embodied in machinery and tools utilized, in seed, chemical fertilizer and herbicide but also the energy embodied in diesel fuels and lubricant oils. In addition, the energy consumption relating to machines and reagents required for the processes of extraction and transesterification of the vegetable oil into biodiesel have been calculated for each crops. The energy obtainable from biodiesel production, taking into account the energy used for seed pressing and for vegetable oil transesterification into biodiesel, represents the Output of the process. The ratio Output/Input gets the EROEI index which in the case of Camelina sativa and Linum usatissimum is greater than one. These results show that the cultivation of these crops for biofuels production is convenient in terms of energy return on energy investment. The EROEI index for Brassica carinata is lower than one. This could means that some factors, concerning mechanisation and climati

A Win-Win Scheme for Improving the Environmental Sustainability of University Commuters’ Mobility and Getting Environmental Credits

European Union Member States are called upon to meet internationally proposed environmental goals. This study is based, in particular, on the recommendation of the European Union (EU), which encourages Member States to pursue effective policies to reduce greenhouse gas (GHGs) emissions, including through appropriate changes in the behavioral habits of citizens. In this respect, among the main sectors involved, transport and mobility should certainly be mentioned. National institutions should be adequately involved in order to achieve the objectives set; in this regard, universities must certainly be considered for their educational value. These latter, for instance, could commit to improving the environmental performance of the mobility of their commuter students (to a not insignificant extent), since commuting modes are often the cause of high CO2 emissions; indeed, they still largely involve the use of internal combustion engines based on fossil fuels. In this paper, the effectiveness of a smartphone-app-based method to encourage commuter students to adopt more sustainable transport modes is evaluated. In more detail, starting from a statistical analysis of the status quo of mobility habits of a sample of students at the University of Palermo (Italy), an improvement of current habits toward a more sustainable path is encouraged through a new application (specifically created for this purpose) installed on students’ smartphones. Then, the daily and annual distances traveled by commuters with the new mobility modes are calculated, and the resulting savings in energy and CO2 emissions are estimated. Finally, it is proposed that the reduced emissions could be converted into energy-efficiency credits that the University could use to enter the emission trading system (ETS), here contextualized within the Italian “TEE” (“Energy Efficiency Credits”) scheme, while the benefits for students participating in the program could consist of reduced fees and free access to university services. The results obtained show the feasibility of the proposal. This approach can be considered a useful model that could be adopted by any other public institutions—not only universities—to facilitate their path toward decarbonization