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Performance analyses of mechanised vineyard activities require a reliable source of information that allows proper sizing of the tractor fleet according to field requirements and an assessment of the operating costs generated by them. To achieve that, however, a large amount of data regarding the power required by machinery and their field capacity, together with fuel consumption per hour and per hectare, is needed. This research, based on CAN-bus raw data collected from narrow tractors of 75 kW through a farming management information system (FMIS) system and then processed through a Python package called Vineyardutils created by the authors resulted in a dataset that summarises 374 labelled mechanised operations over a total of 717 working hours. The summary of each operation specifies its type, duration, idle time, speed and engine parameters such as temperature, engine speed, and torque; in addition, the dataset also includes the terrain slope, fuel consumption and size of the working area. As a result, the lowest values of fuel consumption per hour and per area have been estimated for activities such as fertilisation (4.95 ± 1.20 l/h, 3.73 ± 1.48 l/ha), whereas the highest values belong to harvest operations (14.70 ± 3.39 l/h, 11.69 ± 4.68 l/ha); regarding field capacity, values range from 0.54 ha/h for leaf removal to 4.46 ha/h for multirow crop protection. Furthermore, correlations have been found regarding environmental temperature and requested power, with evidence for most of the activities. Future developments can include different tractor engine setups and additional field data.

The globally widespread perfluorooctanoic acid (PFOA) is a concerning environmental contaminant, with a possible toxic long-term effects on the environment and human health The development of sensible, rapid, and low-cost detection systems is a current change in modern environmental chemistry. In this context, two triamine-based chemosensors, L1 and L2, containing a fluorescent pyrene unit, and their Zn(II) complexes are proposed as fluorescent probes for the detection of PFOA in aqueous media. Binding studies carried out by means of fluorescence and NMR titrations highlight that protonated forms of the receptors can interact with the carboxylate group of PFOA, thanks to salt bridge formation with the ammonium groups of the aliphatic chain. This interaction induces a decrease in the fluorescence emission of pyrene at neutral and slightly acidic pH values. Similarly, emission quenching has also been observed upon coordination of PFOA by the Zn(II) complexes of the receptors. These results evidence that simple polyamine-based molecular receptors can be employed for the optical recognition of harmful pollutant molecules, such as PFOA, in aqueous media.

Ligands L1 and L2 are composed, respectively, by a diethylenetriamine or a dipropylenetriamine moiety linked at their extremities to anthracene units through methylene bridges and form stable 1:1 complexes with Zn(II), in which the metal is coordinated by all three nitrogens of the ligands. Zn(II) binding by L1 leads to a marked enhancement of the fluorescence emission, thanks to the inhibition of the photoinduced electron transfer (PET) process from the benzylic amine groups of the triamine sub-unit to the excited fluorophore, which normally quenches the emission of fluorescent polyamine receptors. Conversely, the emission of L2 is somewhat quenched by Zn(II) binding likely due—as also indicated by ab initio calculations and molecular dynamics simulations—to the formation of cation π quenching contacts between the metal and the anthracene moieties that overcome the effects of PET inhibition. The Zn(II) complexes of both ligands are able to bind ketoprofen (KP) in its anionic form, thanks to the formation of COO−—Zn(II) coordinative bonds, to form [KPZnL]+ and [(KP)2ZnL] (L = L1 or L2) ternary adducts. While KP binding to [ZnL2]2+ enhances the fluorophore emission, coordination of KP to [ZnL1]2+ slightly reduces the anthracene emission, due, once again, to the formation in the L1 ternary complexes of marked cation π contacts.

The synthesis of a new RuII complex, in which the metal is coordinated by two 1,10-phenanthroline ligands and a 2,2′-bipyridyl unit linked, via methylene bridges in its 4 and 4′ positions, to two 1,4,7,10-tetraazacyclododecane (cyclen) macrocycles ([Ru(phen)2L]2+) is reported. Protonation and ZnII binding by [Ru(phen)2L]2+ have been analyzed by potentiometric titration, evidencing the formation of mixed hetero-binuclear and hetero-trinuclear ZnII/RuII complexes. These complexes were tested as bis-phenol A (BPA) binders. Only the dizinc complex with [Ru(phen)2L]2+ is able to bind BPA in aqueous solution, affording a remarkably stable Zn2[Ru(phen)2L]BPA(H−2)4+ adduct at neutral pH, in which BPA is bound in its doubly deprotonated form to the two ZnII ions. BPA binding was found to quench the luminescence emission of the RuII(phen)2bipy core. Although the quenching effect is modest, this study demonstrates that appropriately designed dizinc complexes can be used for binding and optical sensing of BPA in water.

Oxidative stress due to excess superoxide anion ( O 2 ⋅ − ) produced by dysfunctional mitochondria is a key pathogenic event of aging and ischemia-reperfusion diseases. Here, a new O 2 ⋅ − -scavenging Mn II complex with a new polyamino-polycarboxylate macrocycle (4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diacetate) containing 2 quinoline units (MnQ2), designed to improve complex stability and cell permeability, was compared to parental Mn II complex with methyls replacing quinolines (MnM2). MnQ2 was more stable than MnM2 (log K  = 19.56(8) vs. 14.73(2) for the equilibrium Mn 2+  + L 2− , where L = Q2 and M2) due to the involvement of quinoline in metal binding and to the hydrophobic features of the ligand which improve metal desolvation upon complexation. As oxidative stress model, H9c2 rat cardiomyoblasts were subjected to hypoxia-reoxygenation. MnQ2 and MnM2 (10 μmol L −1 ) were added at reoxygenation for 1 or 2 h. The more lipophilic MnQ2 showed more rapid cell and mitochondrial penetration than MnM2. Both MnQ2 and MnM2 abated endogenous ROS and mitochondrial O 2 ⋅ − , decreased cell lipid peroxidation, reduced mitochondrial dysfunction, in terms of efficiency of the respiratory chain and preservation of membrane potential (Δψ) and permeability, decreased the activation of pro-apoptotic caspases 9 and 3, and increased cell viability. Of note, MnQ2 was more effective than MnM2 to exert cytoprotective anti-oxidant effects in the short term. Compounds with redox-inert Zn II replacing the functional Mn II were ineffective. This study provides clues which further our understanding of the structure-activity relationships of Mn II -chelates and suggests that Mn II -polyamino-polycarboxylate macrocycles could be developed as new anti-oxidant drugs.

The synthesis and characterization of the two new open‐chain ligands 1,15‐bis‐[6‐(2,2’‐bipyridyl)]‐2,5,8,11,14‐pentaaza‐octadecane (L1) and 1,15‐bis‐[2‐(1,10‐phenanthroline)‐9‐methyl]‐2,5,8,11,14‐pentaazaoctadecane (L2), both featuring a tetraethylenpentaamine chain linking via methylene bridges the 6 and 2 positions of two identical 2,2’‐bipyridyl (bpy) and 9‐methyl‐1,10‐phenanthroline (9‐methyl‐phen) moieties respectively, are reported. Their protonation and binding ability for Cu2+, Zn2+, Cd2+ and Pb2+ have been studied by coupling potentiometric titrations with UV‐vis absorption and fluorescence emission measurements in water. L1 and L2 afford stable mono‐ and dinuclear complexes, in which the metal ion is bound by a single bpy or 9‐methyl‐phen unit and the amine groups on the aliphatic chain. However, L1 displays a greater binding ability for Cu2+ and Zn2+ with respect to L2, the stability constants of the [ML1]2+ complexes being 21.8 (Cu2+) and 19.4 (Zn2+) log units vs 20.34 and 16.8 log. units for the corresponding L2 species. Among all the metal ions tested, only the Zn2+ complex with L2 features an enhanced fluorescence emission at neutral pH, thanks to the simultaneous binding of one Zn2+ ion and H+ ion(s), that inhibits any possible photoinduced electron transfer (PET) process from the amine donors to the excited phen moiety. Binding of a second metal switches off the emission again. Finely tuned: The emission of Zn2+ complexes with L2 is tuned by both metal ion and H+ binding. Coordination of a single Zn2+ ion maintains the system in its non‐emissive OFF state and only simultaneous binding of one metal cation and an H+ ion switches ON the emission, which is, in turn, quenched again by the coordination of a second Zn2+ ion. L2 results a peculiar molecular switch whose emission is modulated by both metal and proton binding.

This critical review focuses on recent advances (2010–2015) in the detection of cyanide anion via metal-based optical chemosensors in which a change in colour and/or fluorescence intensity (or emission wavelength) of a molecular metal complex is determined by the direct interaction of the metal centre with this anion.

This critical review focuses on recent advances (2010-2015) in the detection of cyanide anion via metal-based optical chemosensors in which a change in colour and/or fluorescence intensity (or emission wavelength) of a molecular metal complex is determined by the direct interaction of the metal centre with this anion.

This critical review focuses on recent advances (2010-2015) in the detection of cyanide anion via metal-based optical chemosensors in which a change in colour and/or fluorescence intensity (or emission wavelength) of a molecular metal complex is determined by the direct interaction of the metal centre with this anion.

Considering as a lead molecule the chemokine CXCR4 receptor antagonist AMD-3100, which shows significant anti-HIV activity in vitro and in vivo, we investigated a series of structurally related macrocyclic polyamines incorporating o,o’-phenanthroline or 2,2’-bipyridyl scaffolds as potential antiviral agents with lower toxicity and increased activity against both wild type X4-tropic and dual tropic HIV strains. The antiviral activity of these compounds was evaluated by susceptibility assays in PBMC (Peripheral Blood Mononuclear Cells) and compared to that of AMD-3100. The newly investigated compounds showed IC50s values in the low micromolar range and significantly inhibited the viral replication of wild type X4-tropic isolate and dual tropic strains. These macrocyclic polyamines constitute a promising class of HIV entry inhibitors.