An algorithm for the automatic deglitching of X-ray absorption spectroscopy data.

Analysis of X-ray absorption spectroscopy data often involves the removal of artifacts or glitches from the acquired signal, a process commonly known as deglitching. Glitches result either from specific orientations of monochromator crystals or from scattering by crystallites in the sample itself. Since the precise energy - or wavelength - location and the intensity of glitches in a spectrum cannot always be predicted, deglitching is often performed on a per spectrum basis by the analyst.

Partitioning of copper at the confluences of Andean rivers.

The fate of copper (Cu) in rivers impacted by acid drainage remains poorly studied in waters with comparatively low Al and Fe concentrations. This work addresses the role of confluences in controlling the physical and chemical fate of Cu in a system with total molar ratio Cu/Al > 0.2 and Cu/Fe > 0.

Solving the problem with stannous fluoride: Formulation, stabilization, and antimicrobial action.

Background: Stannous fluoride (SnF) is a compound present in many commercially available dentifrices; however, oxidative decomposition negatively impacts its efficacy. Stannous oxidation is often mitigated through the addition of complexing agents or sources of sacrificial stannous compounds. The authors have found that the addition of zinc phosphate significantly improved stannous stability more effectively than other stabilization methods.

Effects of resuspension on the mobility and chemical speciation of zinc in contaminated sediments.

Identifying and quantifying the processes governing the mobilization of metals during resuspension events is key to assessing long-term metals efflux from sediments and associated ecological impacts. We investigated the effects of sediment resuspension on the mobilization and chemical speciation of zinc in two-week-long batch experiments using metal-contaminated sediments from Lake DePue (IL, USA). Measurements of dissolved zinc and sulfate allowed us to characterize the kinetics of metal sulfide dissolution and the resulting net release of zinc to the aqueous phase.

Structural characterization of metal complexes in aqueous solutions: a XAS study of stannous fluoride.

The identity and structure of tin(ii)-fluoride complexes formed in aqueous solutions is determined by combining X-ray absorption spectroscopy, thermodynamic modeling and quantum mechanical calculations. Spectroscopic measurements confirm the presence of 3 stannous fluoride complexes, SnF+, SnF02 and SnF3-, with mean Sn-F bond distances that increase linearly, from 1.98 to about 2.

Copper Corrosion and Biocorrosion Events in Premise Plumbing.

Corrosion of copper pipes may release high amounts of copper into the water, exceeding the maximum concentration of copper for drinking water standards. Typically, the events with the highest release of copper into drinking water are related to the presence of biofilms. This article reviews this phenomenon, focusing on copper ingestion and its health impacts, the physicochemical mechanisms and the microbial involvement on copper release, the techniques used to describe and understand this phenomenon, and the hydrodynamic effects.

Conformational changes during permeation of Na through a modified cyclic peptide nanotube promote energy landscape roughness.

Using a metadynamics approach, we investigate the potential of mean force for Na permeation inside a cyclic peptide nanotube (CPN) with modified interior as a function of ion position, coordination number, and lumen chemistry. We show that functionalizing the lumen of a CPN with a methyl-benzoic acid group introduces non-periodic variations in the internal energy of the nanotube, which dictate the overall free energy roughness during the permeation of Na. These non-periodic variations arise from the structural dynamics of the functional group, where changes in the dihedral angles induced by the proximity of the ion give rise to conformational changes that increase landscape roughness and thereby decrease transport rate.

Multi-technique approach to assess the effects of microbial biofilms involved in copper plumbing corrosion.

Microbially influenced corrosion (MIC) is recognized as an unusual and severe type of corrosion that causes costly failures around the world. A microbial biofilm could enhance the copper release from copper plumbing into the water by forming a reactive interface. The biofilm increases the corrosion rate, the mobility of labile copper from its matrix and the detachment of particles enriched with copper under variable shear stress due to flow conditions.

Enhanced copper release from pipes by alternating stagnation and flow events.

Traditional studies of copper release in plumbing systems assume that the water extracted from a pipe follows a plug-type flow and that the pipe surface does not interact with the bulk water under flow conditions. We characterized actual stagnation-flushing cycles in a household pipe undergoing corrosion in the presence of a microbial biofilm. The mass of copper released in 10 experiments was on average 8 times the value estimated by using the plug-flow assumption.