Search results for "aqueous solution"

Halogen-containing BODIPY derivatives for photodynamic therapy

2019

Abstract Two iodinated (1 and 2) and two brominated (3 and 4) BODIPY-based photosensitizers are prepared and characterized using slightly modified synthetic procedures previously described. 1–4 present intense absorption bands in the 510–540 nm interval and very weak emissions due to the presence of halogen atoms in their structure. Irradiation of aqueous solutions of 1–4 with visible light (wavelength > 475 nm) induce the generation of singlet oxygen with quantum yields of ca. 0.62–0.66 for the photosensitizers containing iodine atoms (1 and 2) and of ca. 0.16–0.21 for the brominated counterparts (3 and 4). In vitro studies carried out with HeLa, SCC-13 and HaCaT cell lines and the four ph…

A DFT Study of the Conversion of Ptaquiloside, a Bracken Fern Carcinogen, to Pterosin B in Neutral and Acidic Aqueous Medium

2017

The conversion of ptaquiloside (PtQ), a bracken fern (Pteridium aquilinum) carcinogen, to pterosin B (PtB), which is involved in the underlying mechanisms of PtQ genotoxicity and carcinogenicity, has been theoretically studied in aqueous neutral (AN) and acid (AA) media, using DFT methods at the PCM(water)-B3LYP/6-31G(d)//B3LYP/6-31G(d) computational level. The β-elimination of glucose in AN and four reactive channels (A-D) defined by as many protonation sites in PtQ were calculated. Activation enthalpy decreases (from 42.0 to 12.6 kcal mol−1) in AA relative to AN suggesting protic catalysis. The most favoured channel A started with protonation of the tertiary O15 hydroxyl of PtQ and SN1 wa…

Some working principles of heterogeneous photocatalysis by semiconductors

1993

The present paper outlines some of the principles which are the working base for the photocatalytic processes: we refer to those photocatalytic processes performed using irradiated semiconductors. The steps related to the photoproduction of electron-hole pairs and their separation are discussed. It is also shown how the step of pair separation induces the formation of various chemical species, some of which are useful for the oxidation reactions. It is also shown that in order to reach a detailed description of photocatalytic processes it is necessary to have the knowledge of both the electronic and the physicochemical features of the semiconductors. The paper finally reports a case study r…

Attenuated total reflectance infrared determination of sodium nitrilotriacetate in alkaline liquid detergents

2005

Abstract An attenuated total reflectance infrared (ATR–FTIR) method has been developed for the direct determination of the chelating agent sodium nitrilotriacetate (NTA) in high pH cleaning formulations. Aqueous samples and standards were placed directly on the diamond ATR cell without any pre-treatment and FTIR spectra were recorded between 4000 and 600 cm−1. Measurement conditions were evaluated. Results obtained for five different commercial formulations containing from 6.22 to 9.25% (w/w) of NTA were in good agreement with the manufacturer's declared content (differences between 3.2 and −3.7%). Recovery studies evidenced the accuracy of the developed method, having found values between …

First Aqueous Chemistry with Seaborgium (Element 106)

1997

Electrochemistry, spectroelectrochemistry, chloride binding, and O2 catalytic reactions of free-base porphyrin-cobalt corrole dyads.

2005

Three face-to-face linked porphyrin-corrole dyads were investigated as to their electrochemistry, spectroelectrochemistry, and chloride-binding properties in dichloromethane or benzonitrile. The same three compounds were also investigated as to their ability to catalyze the electroreduction of dioxygen in aqueous 1 M HClO4 or HCl when adsorbed on a graphite electrode. The characterized compounds are represented as (PCY)H2Co, where P = a porphyrin dianion; C = a corrole trianion; and Y = a biphenylenyl, 9,9-dimethylxanthenyl, or anthracenyl spacer, which links the two macrocycles in a face-to-face arrangement. An axial binding of one or two Cl- ligands to the cobalt center of the corrole is …

A fluorescent chemosensor based on a ruthenium(II)-terpyridine core containing peripheral amino groups that selectively sense ATP in an aqueous envir…

2000

The selective sensing of the ATP anion in an aqueous environment over phosphate, sulfate, and chloride using a fluorescence chemosensor based on Ru(tpy)22+ cores attached to polyammonium groups is reported.

Thermodynamics of titanium and vanadium reduction in non-aqueous environment calculated at various levels of theory.

2012

Reduction of titanium and vanadium compounds is a process accompanying the activation of coordinative olefin polymerization catalysts. Four density functional theory (DFT) functionals, coupled cluster with single, double, and perturbative triple excitations method CCSD(T) as well as complete active-space second-order perturbation theory method CASPT2 with a complete active-space self-consistent field CASSCF reference wave function were applied to investigate the thermodynamics of titanium and vanadium reduction. The performance of these theoretical methods was assessed and compared with experimental values. The calculations indicate that vanadium(IV) chloride is more easily reduced by trime…

Coordination properties of some nickel(II) monophosphono dipeptides species in aqueous solution: The role of phosphonic oxygen in complex stabilizati…

2008

Abstract Equilibrium studies on the nickel(II) complexes of oxygen and nitrogen donor ligand (monophosphono dipeptides: 1- (N- l -leucylamino)methylphosphonic acid – Leu-Gly(P), and a thioether sulfur donor ligands (monophosphono dipeptides: 1-N-(glycyloamino)-2-(S-benzylthio)ethanephosphonic acid – Gly-(Bz)Cys(P), d (−) and Gly-(Bz)Cys(P), d (+) were performed by potentiometric titration and NIR–Vis spectroscopy. Additionally, the ligand-field parameters (CFM/AOM) were estimated and discussed in the tetragonal distortion framework. The lowest tetragonal distortion was observed in the case of the [NiHL] species, whereas the strongest in the case of [NiL2] species. In the latter species the …

V2O5 nanowires with an intrinsic iodination activity leading to the formation of self-assembled melanin-like biopolymers

2011

V2O5 nanowires act as biomimetic catalysts resembling vanadium haloperoxidases (V-HPO). The nanowires display iodinating activity as confirmed by a colorimetric assay using thymol blue (TB), UV/Vis spectrophotometry and mass spectrometry (FD-MS). In the presence of dopamine these nanowires catalyze the fast and efficient synthesis of melanin-like biopolymers under mild conditions (aqueous solution, neutral pH and room temperature). The resulting melanin-like biopolymer obtained by the V2O5 nanowire catalysts was characterized by scanning electron microscopy (SEM), X-ray diffraction, UV-Vis, FT-IR and electric conductivity resembling the natural biopolymer both in its chemical and morphologi…