Search results for "water"

Water effects on saccharide matrices studied with molecular dynamics

2013

Proceedings of Frontiers International Conference on Wastewater Treatment May 21-14, 2017, Palermo, ITALY

2017

Today multidisciplinary is a key and a must for solving issues in the water field. The works in several International Water Association Specialist Groups have demonstrated the importance of both innovative technologies and mathematical modelling, and that the exchange of scientific and technical information among researchers and practitioners involved in these fields is crucial for effectively advancing knowledge.

Phosphorus recovery from mixed microbial culture: production and extraction through green methods

2018

Large scale polyhydroxyalkanoates (PHA) production is limited by high production costs compared to that of petroleum-based plastics. Two key factors can be pin down to reduce costs: i) the use of mixed microbial cultures (MMC) instead of pure cultures and ii) the application of cheap and environmental friendly recovery technologies. In this work, the MMC biomass with PHA-accumulating capacity was selected in a sequencing batch reactor fed with a synthetic effluent emulating a fermented oil mill wastewater. The biomass was harvested and transferred to an accumulation reactor, where PHA contents up to 54% of the dry cell weight were obtained, using a mixture of acetic and propionic acids. A c…

Mechanisms of irreversible aquaporin-10 inhibition by organogold compounds studied by combined biophysical methods and atomistic simulations

2021

Abstract The inhibition of glycerol permeation via human aquaporin-10 (hAQP10) by organometallic gold complexes has been studied by stopped-flow fluorescence spectroscopy, and its mechanism has been described using molecular modelling and atomistic simulations. The most effective hAQP10 inhibitors are cyclometalated Au(III) C^N compounds known to efficiently react with cysteine residues leading to the formation of irreversible C–S bonds. Functional assays also demonstrate the irreversibility of the binding to hAQP10 by the organometallic complexes. The obtained computational results by metadynamics show that the local arylation of Cys209 in hAQP10 by one of the gold inhibitors is mapped int…

On the convergence of zero-point vibrational corrections to nuclear shieldings and shielding anisotropies towards the complete basis set limit in wat…

2016

The method and basis set dependence of zero-point vibrational corrections (ZPVCs) to nuclear magnetic resonance shielding constants and anisotropies has been investigated using water as a test system. A systematic comparison has been made using the Hartree–Fock, second-order Møller–Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD), coupled cluster singles and doubles with perturbative triples corrections (CCSD(T)) and Kohn–Sham density functional theory with the B3LYP exchange-correlation functional methods in combination with the second-order vibrational perturbation theory (VPT2) approach for the vibrational corrections. As basis sets, the correlation consisten…

Water in stereoselective organocatalytic reactions

2009

In this review, recent advances in asymmetric organocatalytic reactions carried out with variable amounts of water, from substoichiometric to a large excess (reaction medium), are discussed. We also summarize several proposed mechanisms for the different possibilities of the action of water both in the increased activity of the catalyst and in the asymmetric induction. Finally, the application of this catalytic methodology to the enantioselective synthesis of valuable compounds through enamine or iminium catalysis is presented.

Chemical weathering of volcanic rocks, Pantelleria Island: information from soil profile and soil solution investigations

2007

Concentrations of major, minor and trace elements were determined in soil profiles and soil solutions from the island of Pantelleria, Sicily Channel, to evaluate the weathering extent of soils evolved on trachytic and pantelleritic rocks and the aqueous transport of elements by their soil solutions. The chemical index of alteration (CIA) indicates a low-to-moderate degree of weathering; consistently, the mineralogical and geochemical imprints of the parent rocks are generally preserved. The chemical weathering appears to be incongruent, owing to primary minerals and glass dissolving to a variable degree while secondary minerals have formed. Based on the calculated saturation state of primar…

Supplementary material 1 from: Milardi M, Green AJ, Mancini M, Trotti P, Kiljunen M, Torniainen J, Castaldelli G (2022) Invasive catfish in northern …

2022

Figures and Tables

Il progetto per il waterfront di Palermo

2008

The fast maritime transport for the waterfront revitalization of the airports in Western Sicily.

2011

In this paper we propose a new mobility model that uses sea transports for systematic and occasional users, tourists, etc.., which must reach the airports of Palermo and Trapani. In particular fast ferries, even with their operational limitations, can be used for quick links designed for the mobility demand that interests the airports of Western Sicily. These transport nodes are currently isolated because they are accessible essentially by means of rubber, given the supply shortages of the rail system. The aim of this study is to reassess the waterfront of a stretch of coast between the two Sicilian airports, places near the sea, that can use sea transport systems to reduce congestion on th…