Search results for "bond"
showing 10 items of 3527 documents
The Halide Binding Behavior of 2-Carbamoyl-7-ureido-1H-indoles: Conformational Aspects
2009
Indole-based anion receptors with an carboxamide unit in 2- and an urea in 7-position were prepared and found to bind halides (as well as acetate and nitrate) in chloroform solutions at room temperature. Investigations of the binding behaviour show that the receptor is selective for chloride. Surprisingly, the truncated receptor 3 without the 2-carbamoyl substituent shows the highest affinity for Cl–. Thorough 1H, 13C and 15N NMR investigations indicate different binding modes for acetate, nitrate and halides to the receptor 2. The observation of a major conformational change of this receptor during the binding of the halide ions leads to an understanding of the relative binding affinities …
Capillary zone electrophoresis of alkaloids
1998
Abstract A comprehensive discussion of important aspects for the analysis of alkaloids by capillary zone electrophoresis (CZE) is given. The influence of structure on the electrophoretic mobility (EM) of indole alkaloids was investigated using a running buffer which is generally applicable to the CZE analysis of alkaloids. The EM, which at the applied conditions was mostly dependent on the size and shape of the solvated analyte ions, was additionally affected by the presence of hydrogen bonds or ion–dipole interactions between protonated and unprotonated alkaloids of the same species. This could be derived from the existence of alkaloidal dimer cluster ions [2M+H]+ when mass spectrometry wa…
Connecting Electron-Deficient and Electron-Rich Aromatics to Support Intermolecular Interactions in Crystals
2015
Five compounds bearing electron-deficient pentafluorophenyl as well as electron-rich (salicylate or indole) aromatic moieties connected by amide or ester linkages were investigated by X-ray diffraction. In the crystals, various interactions (π–π, lone pair–π) between the different aromatic units are important structure controlling factors in addition to the stronger inter- or intramolecular hydrogen bonds induced by the amide and ester moieties. The hydrogen bonding leads to polymeric and macrocyclic assembly of the molecular building blocks.
L-Tryptophan on Cu(111): engineering a molecular labyrinth driven by indole groups
2015
The present article investigates the adsorption and molecular orientation of L-Tryptophan, which is both an essential amino acid important for protein synthesis and of particular interest for the development of chiral molecular electronics and biocompatible processes and devices, on Cu(111) using scanning tunneling microscopy and spectroscopy at 55 K and at room temperature. The arrangement of chemisorbed L-Tryptophan on the copper surface varies with both temperature and surface coverage. At low coverage, small clusters form on the surface irrespective of temperature, while at high coverage an ordered chain structure emerges at room temperature, and a tightly packed structure forms a molec…
Study of a medium-size biological molecular association by means of a pair potential semiempirical approach: β-carboline-lumiflavin
1985
The molecular association between some substituted β-carbolines and a model flavin, lumiflavin, has been studied by means of a semiempirical approach proposed by Fraga based on a 1/R expansion of atom-atom pair potentials. Only stacked minima have been considered because of their possible biological interest. The calculations characterize 15 different minimum stacked conformations, most of them occurring in the complexes considered. The structural and energetic effects of 1–Me, 6–OH and 7–OH substituents of β-carboline are discussed. An equilibrium conformation involving geometric overlap between the pteridinic portion of flavin and the indole group of β-carboline is predicted to be the mos…
New sensing devices part 1: indole-containing polyamines supported in nanosized boehmite particles
2005
The synthesis, characterisation and optical properties of new sensing systems made by attaching different polyamine chains functionalised with an indole fluorophore to a boehmite matrix is reported for the first time. Firstly, a family of tri(alkoxy)alkylpolyaminosilanes have been reacted with indole-3-carboxaldehyde to form the corresponding Schiff bases which were reduced with sodium borohydride. The anchoring to the surface of the boehmite nanoparticles was carried out by reacting the precursors with the hydroxyl groups available in the surface of the support. The characterisation of the materials by elemental microanalysis, X-ray powder diffraction, CP-MAS 29Si NMR and electron microsco…
5′-Benzylidene-1′′-methyl-4′′-phenyltrispiro[1,3-dioxolane-2,1′-cyclohexane-3′,3′′-pyrrolidine-2′′,3′′′-indole]-4′,2′′′-dione
2017
In the title compound, C32H30N2O4, two spiro links connect the methyl-substituted pyrrolidine ring to the oxindole and cyclohexanone rings. The cyclohexanone ring is further connected to the dioxalane ring by a third spiro junction. Both the pyrrolidine and dioxalane rings adopt a twist conformation. The indole ring is nearly planar, with a maximum deviation of 0.0296 (7) Å, and the cyclohexanone ring adopts a distorted boat conformation. In the crystal, C—H...O and N—H...N hydrogen-bonding interactions connect molecules into chains running parallel to thebaxis, which are further linked into layers parallel to theabplane by C—H...O hydrogen bonds.
Is the EUA a new asset class?
2022
The listing of a new asset requires knowledge of its statistical properties prior to its use for hedging, speculative or risk management purposes. In this paper, the authors study the stylised facts of European Union Allowances (EUAs) returns. The majority of the phenomena observed, such as heavy tails, volatility clustering, asymmetric volatility and the presence of a high number of outliers are similar to those observed in both commodity futures and financial assets. However, properties such as negative asymmetry, positive correlation with stocks indexes and higher volatility levels during the trading session, typical of financial assets, and the existence of inflation hedge and positive …
Sentiment Across Asset Markets
2018
In this paper, we study investor sentiment in five major asset markets: stocks, bonds, commodities, currencies, and housing. Based on Thomson Reuter's sentiment measures extracted from 235 news and social media sources, we find that each market is predicted by its own sentiment. Cross-markets, kitchen sink regressions reveal that the stock market is influenced only by bond sentiment, while bond market is affected just by currency market, which is largely unexplained by others; the commodities are related to currencies and housing, and housing can be predicted by stock and bond sentiment. In an efficient information aggregation by the partial least square (PLS), the predictability of each ma…
Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, …
2018
The electrochemical oxidation of anodic metals (M = cobalt, nickel, copper, zinc and cadmium) in a solution of the ligand 1H-anthra[1,2-d]imidazol-6,11-dione-2-[2-hydroxyphenyl] [H2L] afforded homoleptic [ML] compounds. The addition to the electrochemical cell of coligands (L′) such as 2,2′-bipyridine (bpy) or 1,10-phenanthroline (phen) allowed the synthesis, in one step, of heteroleptic [MLL′] compounds. The crystal structures of H2L (1), [CoL(MeOH)]2 (2), [CoL(phen)]2 (3), [NiL(bpy)]2 (4), [CuL(bpy)] (5), [CuL(phen)] (6) and [CdL(bpy)]2 (7) have been determined by X-ray diffraction techniques. The crystal structures of 2, 3, 4 and 7 consist of dimeric species in which both metallic atoms …