Search results for "Reactivity"

Exploring the Reactivity and Biological Effects of Heteroleptic N-Heterocyclic Carbene Gold(I)- Alkynyl Complexes

2020

With the aim to explore the effects of different organometallic ligands on the reactivity and biological properties of a series of twelve heteroleptic AuI complexes, of general formula [Au(NHC)(alkynyl)] (NHC = benzimidazolylidene or 1,3-dihydroimidazolylidene) were synthesized and characterized by 1H and 13C NMR and elemental analysis, and in some cases also by X-ray diffraction. The compounds were all stable in H2O/DMSO as established by NMR spectroscopy, while they could react with model thiols (EtSH) in the presence of water to undergo ligand-substitution reactions. 1H NMR experiments showed that dissociation of the more labile alkynyl ligand was possible for all compounds, while in the…

Converting p-terphenyl into a novel organo-catalyst for LED-driven energy and electron transfer photoreactions in water.

2021

p-Terphenyl is a potent photoredox catalyst under UV-irradiation. Aiming for more sustainable reaction conditions, we added two sulfonate groups to this key structure to achieve water solubility and incorporated an SO2-bridge thereby shifting the absorption spectrum towards the visible. The resulting photocatalyst shows unexpected triplet reactivity in several test reactions.

Oxidation of oxalate ion in aqueous suspensions of TiO2 by photocatalysis and ozonation

2005

Abstract Oxalate anion has been oxidized in aqueous alkaline solution by using ozonation and photocatalysis in the presence of TiO 2 . A batch annular reactor has been used for carrying out reactivity runs in the presence of air/ozone, air/ozone/near UV irradiation, air/ozone/TiO 2 , air/near UV-irradiated TiO 2 and air/ozone/near UV-irradiated TiO 2 . The Langmuir–Hinshelwood kinetic model adequately describes the photocatalytic results obtained at different reaction conditions and allows determining the values of the kinetic and equilibrium adsorption constants. The contemporary presence of photocatalysis and ozonation shows a significant improvement of the process performance as the oxid…

1986

The kinetics of polyamidation was investigated for the reaction of diphenyl terephthalate as activated diester with trimethylhexamethylenediamine (1 : 1 mixture of 2,2,4- and 2,4,4-trimethyl isomers) in dimethyl sulfoxide. The good solubility of the resulting polyamide (Trogamid®(poly(iminoterephthaloylimino-x,y,z-trimethylhexamethylene))) assured a reaction in which all reactants, especially the polyamide, were soluble. The conversion was followed by analysis of the phenol set free and by measuring the number-average degree of polymerization Pn of the polyamide. The reaction obeyed an overall second order with the principle of equal reactivity of functional groups fulfilled for Pn ≿ 16. De…

Deprotonation of Thiophenes Using Lithium Magnesates.

2005

Abstract Thiophene was regioselectively deprotonated at C2 on treatment with 1/3 equiv of Bu3MgLi in THF at room temperature. The lithium arylmagnesate formed was either trapped with electrophiles or cross-coupled in a ‘one-pot’ procedure with aryl halides under palladium catalysis. 2-Chlorothiophene and 2-methoxythiophene were similarly deprotonated at C5 under the same reaction conditions. The enhancement of the reactivity of the base using TMEDA was evidenced using 1H NMR spectroscopy.

Temptative Modeling of Surface Reactivity with Oxidizing-Reducing Mixtures on Rutile TiO2-δ

1989

Rutile bears some unique features in regard to oxygen transfer with the outer atmosphere, at high temperatures. It possesses very high chemical diffusivity. This diffusivity becomes apparent while performing reequilibration experiments in a final atmosphere of pure oxygen. Conversely, the oxidizing-reducing reaction with CO/CO2 mixtures at the rutile surface is always a slow process.

3-Vinyl-1H-indoles: A conformational study, electronic aspects and reactivity predictions forDiels-Alder reactions

1995

On the basis of X-ray geometries, a theoretical conformational study of some 3-vinyl-1H-indoles was performed with quantum chemistry and molecular mechanics programs. Charge, frontier orbitals, and the molecular electrostatic potential derived from quantum chemistry calculations of 3-vinyl-1H-indoles are reliable reactivity parameters to predict the outcome of theDiels-Alder reaction.

Evidence for the presence of functional protease activated receptor 4 (PAR4) in the rat colon

2004

Background and aims: Protease activated receptors (PARs) have been postulated to play a role during intestinal inflammation. The presence and role played by PAR4 in gastrointestinal functions have not been fully clarified. The aims of this study were: (i) to examine expression of PAR4 in rat proximal colon; (ii) to determine the mechanical effects induced by PAR4 activation in longitudinal muscle; and (iii) to characterise the underlying mechanisms. Methods: PAR4 expression was determined by reverse transcription-polymerase chain reaction (RT-PCR) and immunohistochemistry. Mechanical activity was recorded as changes in isometric tension. Results: A PCR product corresponding to the predicted…

Cross-reactivity of a pathogenic autoantibody to a tumor antigen in GABA(A) receptor encephalitis

2021

Encephalitis associated with antibodies against the neuronal gamma-aminobutyric acid A receptor (GABA A -R) is a rare form of autoimmune encephalitis. The pathogenesis is still unknown but autoimmune mechanisms were surmised. Here we identified a strongly expanded B cell clone in the cerebrospinal fluid of a patient with GABA A -R encephalitis. We expressed the antibody produced by it and showed by enzyme-linked immunosorbent assay (ELISA) and immunohistochemistry that it recognizes the GABA A -R. Patch-clamp recordings revealed that it tones down inhibitory synaptic transmission and causes increased excitability of hippocampal CA1 pyramidal neurons. Thus, the antibody likely contributed to…

A Theoretical Study of the Relationship between the Electrophilicity ω Index and Hammett Constant σp in [3+2] Cycloaddition Reactions of Aryl Azide/A…

2016

The relationship between the electrophilicity ω index and the Hammett constant σp has been studied for the [2+3] cycloaddition reactions of a series of para-substituted phenyl azides towards para-substituted phenyl alkynes. The electrophilicity ω index—a reactivity density functional theory (DFT) descriptor evaluated at the ground state of the molecules—shows a good linear relationship with the Hammett substituent constants σp. The theoretical scale of reactivity correctly explains the electrophilic activation/deactivation effects promoted by electron-withdrawing and electron-releasing substituents in both azide and alkyne components.