Search results for " Force"
showing 10 items of 2250 documents
Persistence of oxidation state III of gold in thione coordination
2017
Ligands N,N'-tetramethylthiourea and 2-mercapto-1-methyl-imidazole form stable Au(III) complexes [AuCl3(N,N'-tetramethylthiourea)] (1) and [AuCl3(2-mercapto-1-methyl-imidazole)] (2) instead of reducing the Au(III) metal center into Au(I), which would be typical for the attachment of sulfur donors. Compounds 1 and 2 were characterized by spectroscopic methods and by X-ray crystallography. The spectroscopic details were explained by simulation of the UV-Vis spectra via the TD-DFT method. Additionally, computational DFT studies were performed in order to find the reason for the unusual oxidation state in the crystalline materials. The preference for Au(III) can be explained via various weak in…
Halogen Bonds in Square Planar 2,5-Dihalopyridine-Copper(II) Bromide Complexes
2018
Standards for the diagnosis and management of complex regional pain syndrome: Results of a European Pain Federation task force.
2019
Background: Complex regional pain syndrome is a painful and disabling post-traumatic primary pain disorder. Acute and chronic complex regional pain syndrome (CRPS) are major clinical challenges. In Europe, progress is hampered by significant heterogeneity in clinical practice. We sought to establish standards for the diagnosis and management of CRPS. Methods: The European Pain Federation established a pan-European task force of experts in CRPS who followed a four-stage consensus challenge process to produce mandatory quality standards worded as grammatically imperative (must-do) statements. Results: We developed 17 standards in 8 areas of care. There are 2 standards in diagnosis, 1 in multi…
Conduction properties of thin films from a water soluble carbon nanotube/hemicellulose complex.
2018
We have examined the conductive properties of carbon nanotube based thin films, which were prepared via dispersion in water by non-covalent functionalization of the nanotubes with xylan, a type of hemicellulose. Measurements of low temperature conductivity, Kelvin probe force microscopy, and high frequency (THz) conductivity elucidated the intra-tube and inter-tube charge transport processes in this material. The measurements show excellent conductive properties of the as prepared thin films, with bulk conductivity up to 2000 S cm−1. The transport results demonstrate that the hemicellulose does not seriously interfere with the inter-tube conductance. peerReviewed
Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
2018
The title compound is constructed from two aromatic rings (3-bromo-4-fluorophenyl and 3,4-dimethoxyphenyl), which are linked by a C=C—C(=O)—C enone bridge and form a dihedral angle of 17.91 (17)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds enclosing rings of (14) graph-set motif to form layers parallel to (10).
INDUSTRY - A PILLAR OF STRENGTH ECONOMIC AND SOCIAL DEVELOPMENT. ROMANIAN SEQUENCES
2012
In the last 300 years, industry was the key driver of economic development and social, political, military, cultural and spiritual, which are inconceivable without the contribution of this important sector of the economy of any country. At least in these 300 years since the first industrial revolution, industrialization took place in every country in the world along with free trade, protectionism alternation - free schimbism contributing to balancing economic and social development. Nothing is more important than industry between the four basic economic sectors (agriculture, industry, trade and transport). Recrudescence services of any kind, but also the unprecedented quaternary sector (lei…
Light-induced, site-selective isomerization of glyoxylic acid in solid xenon
2014
Abstract The isomerization of glyoxylic acid (GA) and its water complex was studied in a low temperature xenon matrix. The aim of these studies was to understand how xenon environment affects the cis-trans GA interconversion upon near infrared irradiation. In solid xenon, the GA conformers are embedded in two different matrix sites. These show up as different vibrational bands of GA that exhibit different kinetic rates of isomerization. Upon complexation with water, the isomerization process slows down. Xenon matrix appears not to affect energy relaxation process via intramolecular or intermolecular hydrogen bond as compared with previous experiments in an argon.
Azonia spiro polyaza macrocycles containing biphenyl subunits as anion and cation receptors
2011
Abstract The reaction of N-Boc triprotected cyclam with bis(chloromethyl)biphenyl followed by the corresponding deprotection of the nitrogen atoms allows the preparation of receptor 3 containing an azonia spiro subunit. This receptor shows slightly increased basicity than cyclam, in particular for the formation of the appropriate triply charged species as a consequence of the reduced capacity of the structure present in 3 to stabilize the species with lower protonation degrees through the formation of intramolecular hydrogen bonds. The properties of 3 as a receptor for Cu2+ and Zn2+ and the anions derived from PO 4 3 − ( Pi ) , P 2 O 7 4 − ( PPi ) , P 3 O 10 5 − ( TPP ) and ATP have been st…
Gold(I)-catalyzed intermolecular oxyarylation of alkynes: unexpected regiochemistry in the alkylation of arenes.
2009
The reaction between acetylenes and sulfoxides, studied as a test case for gold-catalyzed intermolecular addition, provides the oxyarylation compounds 3 in good yields. Unpredictably, in all cases a single regioisomer arising from the electrophilic aromatic alkylation at the position adjacent to the sulfur atom is obtained instead of the expected Friedel−Crafts regioisomer. A new concerted mechanism based on DFT calculations is proposed to account for the products in this intermolecular gold(I)-catalyzed reaction.
Combined NC-AFM and DFT study of the adsorption geometry of trimesic acid on rutile TiO2(110)
2010
The adsorption behavior of trimesic acid (TMA) on rutile TiO(2)(110) is studied by means of non-contact atomic force microscopy (NC-AFM) and density-functional theory (DFT). Upon low-coverage adsorption at room temperature, NC-AFM imaging reveals individual molecules, centered above the surface titanium rows. Based on the NC-AFM results alone it is difficult to deduce whether the molecules are lying flat or standing upright on the surface. To elucidate the detailed adsorption geometry, we perform DFT calculations, considering a large number of different adsorption positions. Our DFT calculations suggest that single TMA molecules adsorb with the benzene ring parallel to the surface plane. In…