Search results for "fluoride"
showing 10 items of 314 documents
First principles studies of the self trapped hole and the fluorine adsorption on the SrF2(111) surface
2013
Abstract By using density functional theory (DFT) with hybrid exchange potentials, namely DFT-B3PW, the ground states of self trapped hole and adsorbed fluorine atom on the strontium fluoride (1 1 1) surface are investigated. The self trapped hole at an interstitial anion site is denoted by H-center. In both the H-center and fluorine adsorption cases, the strong relaxations due to the surface effects are observed. In the H-center case, the unpaired electron distributes almost equally over two H-center atoms. This equivalent distribution of the unpaired electron is totally different from that of the bulk H-center [J. Phys. Chem. A 114 (2010) 8444]. The other case with an adsorbed fluorine at…
Highly regioselective synthesis of a 3-O-sulfonated arabino Lewisa asparagine building block suitable for glycopeptide synthesis
2006
Using the stannylene method, the trisaccharide 2-acetamido-3-O-[6-O-benzyl-beta-D-galactopyranosyl]-4-O-[2,3,4-tri-O-benzyl-beta-D-arabinopyranosyl]-6-O-benzyl-2-deoxy-beta-D-glucopyranosyl azide was regioselectively sulfonated and, after reduction of the anomeric azide, coupled to Fmoc alpha-allyl aspartate. After Pd(0)-catalyzed deallylation, the sulfatyl Lewis(a) asparagine building block was obtained, suitable for solid-phase glycopeptide synthesis applying the fluoride labile PTMSEL linker system.
Liver haemangiomas undetermined at grey-scale ultrasound: contrast-enhancement patterns with SonoVue and pulse-inversion US.
2005
The objective of this study was to describe the spectrum of contrast-enhancement patterns of hepatic haemangiomas undetermined at grey-scale ultrasound (US) on SonoVue-enhanced pulse-inversion (PI) US. Twenty patients (11 women, nine men) with 35 haemangiomas (size range: 1-7 cm; mean: 3.1 cm) undetermined at baseline US underwent PI at low M.I. (0.05-0.08) after i.v. injection of SonoVue. All haemangiomas were confirmed by typical helical computed tomography (CT) and/or magnetic resonance imaging (MRI) findings. US examinations were videotaped and then reviewed by two experienced radiologists blinded to the final diagnosis. Readers evaluated by consensus the baseline echogenicity and the d…
Up-conversion process in erbium doped lithium fluoride bulk crystal, lithium borate glass and glass ceramics
2007
In our research the up-conversion processes in Er doped bulk LiF crystal, lithium borate oxyfluoride glass and lithium borate oxyfluoride glass ceramics were studied: up- conversion and traditional photoluminescence spectra, the up-converted signal as a function of the laser power are presented. It was found that sharp luminescence bands in the visible part of the spectrum appear when the bulk crystal is subjected to IR irradiation at 980 nm by a laser diode. After the heat treatment of the glass submicron crystallites were detected by SEM technique. The presence of LiF crystalline phase in the oxyfluoride glass ceramics was proved by XRD method. The questions about the synthesis of the oxy…
Ab initio molecular dynamics simulations of the Sc K-edge EXAFS of scandium trifluoride
2016
Scandium fluoride ScF3 has a simple cubic structure and attracts attention due to its large negative thermal expansion (NTE) over a wide range of temperatures (0-1100 K). In this study we present ab initio molecular dynamics (AIMD) simulations of ScF3 and their validation using the Sc K-edge EXAFS spectra in the temperature range from 300 K to 1000 K measured at the XAFS beamline of ELETTRA. The obtained results allow an assessement of the employed AIMD model and provide insight into the local structure and the lattice dynamics of ScF3 beyond the harmonic approximation. A strong anisotropy of the fluorine atom vibrations in the direction orthogonal to the -Sc-F-Sc- chain is observed. An exp…
Chemical Aspects of Human and Environmental Overload with Fluorine
2021
Over the last 100-120 years, due to the ever-increasing importance of fluorine-containing compounds in modern technology and daily life, the explosive development of the fluorochemical industry led to an enormous increase of emission of fluoride ions into the biosphere. This made it more and more important to understand the biological activities, metabolism, degradation, and possible environmental hazards of such substances. This comprehensive and critical review focuses on the effects of fluoride ions and organofluorine compounds (mainly pharmaceuticals and agrochemicals) on human health and the environment. To give a better overview, various connected topics are also discussed: reasons an…
A Stereocontrolled Protocol to Highly Functionalized Fluorinated Scaffolds through a Fluoride Opening of Oxiranes
2016
A novel selective and substrate-dependent synthetic protocol has been developed towards the synthesis of various fluorine-containing, highly functionalized cycloalkane derivatives. The method involves the stereoselective epoxidation of some unsaturated cyclic beta-amino acid derivatives as model compounds, followed by a regioselective fluoride opening of oxiranes under various conditions with Deoxofluor and XtalFluor-E reagents, thereby offering an insight into this new epoxide opening methodology with fluoride.
Analysis of hybrid silica materials with the aid of conventional NMR and GC/MS.
2009
Two simple and straightforward procedures for determining the organic content of hybrid silica materials by means of conventional NMR and GC/MS techniques are described. The methods involve dissolving the hybrid material either in a concentrated solution of sodium hydroxide in deuterated water containing a suitable reference or in a solution of hydrogen fluoride in water and extracting with methylene chloride. These methods constitute useful routine techniques for obtaining immediate information concerning both the amount and chemical composition of the organic compounds on the silica surface.
Rainfall energy harvester
2015
This chapter provides a detailed study on the harvest of the energy contained in raindrops by means of piezoelectric transducers. The energy harvester has the role of an electric source, able to recharge storage devices of small electronic components, such wireless sensors, by using the vibrational energy released by the drops hitting the transducer, reducing in such a way the chemical waste of conventional batteries. In technical literature, diverse studies agree on the level of suitable generated voltage on the electrodes of a piezoelectric transducer subjected to rainfall, but a complete characterization on the supplied power is still missing. This work, also to limit optimistic forecast…
Microradiography and confocal laser scanning microscopy applied to enamel lesions formed in vivo with and without fluoride varnish treatment
1996
The aim of the present investigation was to combine 2 techniques suitable for lesion characterization: quantitative microradiography (TMR) and confocal laser scanning microscopy (CLSM) on in vivo induced lesions with and without a fluoride varnish (Duraphat(R)) treatment. Orthodontic bands were attached to premolars to be extracted for orthodontic reasons to induce enamel caries on the buccal surfaces. In the caries development part of the study, 1 tooth of each pair received at the start 1 topical application with the fluoride varnish Duraphat(R), the contralateral tooth serving as untreated control. All teeth were extracted after 4 weeks. In the caries progression part, the premolars were…