Search results for "rfa"

Elucidating the ligand shell structure and dynamics of Au683MBA32 gold nanocluster using molecular dynamics simulations

2017

Synthesising novel gold nanoparticles and -clusters can be often easier than characterising them, and after experimental analysis many options for the possible molecular formula of the cluster may remain as equally valid options. These options may be investigated by quantum computational means, such as density functional theory, but since DFT includes the electronic interactions, this might take time and excessive effort if the amount of options is large. In this thesis a new way of easing the computational task is introduced by a novel method, that combines a guessing algorithm and molecular dynamics simulations. The algorithm produces possible structures by utilising existing structures o…

Temperature effects explain continental scale distribution of cyanobacterial toxins

2018

Insight into how environmental change determines the production and distribution of cyanobacterial toxins is necessary for risk assessment. Management guidelines currently focus on hepatotoxins (microcystins). Increasing attention is given to other classes, such as neurotoxins (e.g., anatoxin-a) and cytotoxins (e.g., cylindrospermopsin) due to their potency. Most studies examine the relationship between individual toxin variants and environmental factors, such as nutrients, temperature and light. In summer 2015, we collected samples across Europe to investigate the effect of nutrient and temperature gradients on the variability of toxin production at a continental scale. Direct and indirect…

Change and Control Paradoxes in Mobile Infrastructure Innovation: The Android and iOS Mobile Operating Systems Cases

2012

The advent of the smart phone as a highly complex technology has been accompanied by mobile operating systems (OS), large communities of developers, diverse content providers, and increasingly complex networks, jointly forming digital infrastructures. The multi-faceted and relational character of such digital infrastructures raises issues around how change and control can be conceptualized and understood. We discuss how change and control are paradoxically related in digital infrastructures and how they affect the evolution of such infrastructures. We examine these paradoxes by examining the change in, and competition between, two mobile operating systems: Apple's iOS and Google's Android a…

Development of temperature and oxygen gradients during the formation of ice cover in a deep boreal lake

2008

Liquid Phase Micro-Extraction of Linear Alkylbenzene Sulfonate Anionic Surfactants in Aqueous Samples

2011

Hollow fiber liquid phase micro-extraction (LPME) of linear alkylbenzene sulfonates (LAS) from aqueous samples was studied. Ion pair extraction of C10, C11, C12 and C13 homologues was facilitated with trihexylamine as ion-pairing agent, using di-n-hexylether as solvent for the supported liquid membrane (SLM). Effects of extraction time, acceptor buffer concentration, stirring speed, sample volume, NaCl and humic acids were studied. At 10–50 µg L−1 linear R2-coefficients were 0.99 for C10 and C11 and 0.96 for C12. RSD was typically ~15%. Three observations were especially made. Firstly, LPME for these analytes was unusually slow with maximum enrichment observed after 15–24 h (depending on sa…

A multiresidue analytical method for trace level determination of antibiotics and antiretroviral drugs in wastewater and surface water using SPE-LC-M…

2016

An analytical method for simultaneous determination of seven commonly used antibiotics and three antiretrovirals in surface water and urban wastewater at the ng L−1 level has been developed. The method involves concentration and clean-up by solid phase extraction (SPE) followed by identification and quantification by liquid chromatography tandem mass spectrometry (LC-ESI-MS/MS). The use of matrix-matched calibration curves constructed by spiking surface water was evaluated for quantification and compared with the internal standard method using isotopically labelled compounds. The method gave absolute recoveries of 41–116% with most of the compounds having recoveries >50%. The LOQs ranged fr…

Analyse morphologique de talwegs et comportement scalant : applications des dimensions non-entières à la géographie physique

1999

Morphological talweg analysis and scaling behaviour: applying non-integer dimension to physical geography. -- The organisation of the talweg network is fundamental to the erosion system on the silty loamy plateaux of north-western France. The morphology of the Pays de Caux is a good example of successive runoff concentration caused by the nesting of small dry valleys. These are inherited from a periglacial climate and their general direction is governed by tectonics. However the detailed pattern of these forms remains complex and without obvious explanation. Non-integer dimensions may offer a ceratin logic to this relatively chaotic pattern. This paper has therefore sought to demonstrate th…

Carbon dynamics in highly heterotrophic subarctic thaw ponds

2015

Abstract. Global warming has accelerated the formation of permafrost thaw ponds in several subarctic and arctic regions. These ponds are net heterotrophic as evidenced by their greenhouse gas (GHG) supersaturation levels (CO2 and CH4), and generally receive large terrestrial carbon inputs from the thawing and eroding permafrost. We measured seasonal and vertical variations in the concentration and type of dissolved organic matter (DOM) in five subarctic thaw (thermokarst) ponds in northern Quebec, and explored how environmental gradients influenced heterotrophic and phototrophic biomass and productivity. Late winter DOM had low aromaticity indicating reduced inputs of terrestrial carbon, wh…

When the Grafting of Double Decker Phthalocyanines on Si(100)-2 × 1 Partly Affects the Molecular Electronic Structure

2016

International audience; A combined X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and density functional theory (DFT) study has been performed to characterize the adsorbate interaction of lutetium biphthalocyanine (LuPc2) molecules on the Si(100)-2 × 1 surface. Large molecule–substrate adsorption energies are computed and are found to compete with the molecule–molecule interactions of the double decker molecules. A particularly good matching between STM images and computed ones confirms the deformation of the molecule upon the absorption process. The comparison between DFT calculations and XP spectra reveals that the electronic distribution in the two plateaus …

Differences in intercellular communication during clinical relapse and gadolinium-enhanced MRI in patients with relapsing remitting multiple sclerosi…

2018

This study was designed based on the hypothesis that changes in both the levels and surface marker expression of extracellular vesicles (EVs) isolated from the cerebrospinal fluid (CSF) may be associated with the clinical form, disease activity, and severity of multiple sclerosis (MS). The analyzes were performed on subjects affected by MS or other neurological disorders. EVs, which were isolated by ultracentrifugation of CSF samples, were characterized by flow cytometry. A panel of fluorescent antibodies was used to identify the EV origin: CD4, CCR3, CCR5, CD19, and CD200, as well as isolectin IB4. The Mann–Whitney U-test and Kruskal–Wallis test were used for statistical analyzes. EVs isol…