Search results for "chemistry [Water]"
showing 10 items of 2369 documents
Theoretical characterization of iron and manganese porphyrins for catalyzed saturated alkane hydroxylations
1997
Abstract The theoretical characterization of porphin (H2Por), iron and manganese porphyrins MIII(Por) and their chlorine derivatives MIII(Por)Cl has been carried out. This work represents a first step for modelling catalyzed saturated alkane hydroxylations. The chlorine atom is responsible for the existence of a dipole moment of 1.2–2.0 D in the MIII(Por)Cl molecules and for a negative value of the mean quadrupole moment (−16–(−14)DA). The charge of the metal atom (1.8–2.2 e) is rather varied (to 2.1–2.6 e) and the effective polarizability (2.8–2.9 A3) is increased (to 3.5–3.6 A3) by the addition of the chlorine atom. Starting from the porphin molecule, the presence of the metal atom decrea…
The hydrothermal system of the Domuyo volcanic complex (Argentina): A conceptual model based on new geochemical and isotopic evidences
2016
The Domuyo volcanic complex (Neuquén Province, Argentina) hosts one of the most promising geothermal systems of Patagonia, giving rise to thermal manifestations discharging hot and Cl−-rich fluids. This study reports a complete geochemical dataset of gas and water samples collected in three years (2013, 2014 and 2015) from the main fluid discharges of this area. The chemical and isotopic composition (δD-H2O and δ18O-H2O) of waters indicates that rainwater and snow melting are the primary recharge of a hydrothermal reservoir located at relative shallow depth (400–600 m) possibly connected to a second deeper (2–3 km) reservoir. Reactive magmatic gases are completely scrubbed by the hydrotherm…
Geochemical processes assessed by Rare Earth Elements fractionation at "Laguna Verde" acidic-sulphate crater lake (Azufral volcano, Colombia)
2017
Abstract The geochemical behaviour of major elements, Fe, Al, Mn, and Rare Earth Elements (REE) was investigated in the “Laguna Verde” acidic crater lake of Azufral volcano (Colombia). The cold lake water (T close to 10 °C) is sulphate-dominated, due to absorption and oxidation of H2S (pH 2.1–2.7, Eh 196–260 mV), and Na-enriched (Total Dissolved Solids 0.79 g L−1). The total amount of REE dissolved in the lake ranges from 3.3 to 9.1 ppb. The REE patterns normalized to the local rocks show a Light Rare Earth Elements (LREE) depletion quite constant in the 15 samples. Similar patterns were already found in the acidic sulphate springs of Nevado del Ruiz volcano-hydrothermal system, caused by t…
Neoproterozoic Rosetta Gabbro from northernmost Arabian–Nubian Shield, south Jordan : Geochemistry and petrogenesis
2017
An Ediacaran mafic intrusion of south Jordan is a distinctive appinitic igneous rock with a possibly unique texture, characterized by spherical clots up to 40 mm in diameter composed of amphibole cores from which plagioclase euhedra radiate; we call it the Rosetta Gabbro. It is exposed as a small (ca. 750 m(2)) outcrop in the Neoproterozoic basement of south Jordan. A second outcrop of otherwise similar gabbro is located about 400 m to the north of the Rosetta Gabbro, but it lacks the distinctive texture. The Rosetta Gabbro could represent a magma pipe. It intrudes the Aqaba Complex (similar to 600 Ma) granitoids and metasediments of the Janub Metamorphic Complex (633-617 Ma). The gabbro is…
Glass-forming derivatives of 2-cyano-2-(4H-pyran-4-ylidene) acetate for light-amplification systems
2019
Abstract A series of 2-cyano-2-(4H-pyran-4-ylidene) acetate derivatives with triphenyl and 9H-carbazole moieties were synthesized and investigated, mostly for potential applications in organic solid state lasers. Synthesized compounds show remarkable amorphous film formation ability, tunable thermal properties (thermal stability varies from 190 °C to 387 °C and glass transition temperature from 94 °C up to 141 °C) with light absorption from 400 nm to 600 nm and photoluminescence from 600 nm up to 800 nm. Dyes with incorporated mono-styryl- electron donating fragment (KTB, KTBC and KTB3K) showed higher photoluminescence quantum yield (PLQY) (from 16% up to 23%), significantly lower amplified…
Detection of Amyloid-β Fibrils Using Track-Etched Nanopores: Effect of Geometry and Crowding
2021
Several neurodegenerative diseases have been linked to proteins or peptides that are prone to aggregate in different brain regions. Aggregation of amyloid-β (Aβ) peptides is recognized as the main cause of Alzheimer's disease (AD) progression, leading to the formation of toxic Aβ oligomers and amyloid fibrils. The molecular mechanism of Aβ aggregation is complex and still not fully understood. Nanopore technology provides a new way to obtain kinetic and morphological aspects of Aβ aggregation at a single-molecule scale without labeling by detecting the electrochemical signal of the peptides when they pass through the hole. Here, we investigate the influence of nanoscale geometry (conical an…
Amphetamine-type stimulants analysis in oral fluid based on molecularly imprinting extraction
2018
Abstract A methamphetamine-based molecularly imprinted polymer (MIP) has been prepared by bulk polymerization to recognize new psychoactive substances (NPS) of the amphetamine, cathinones and 2C families in oral fluid samples, being the first precedent of a synthetized MIP for the extraction and preconcentration 32 NPS including amphetamine type substances and synthetic cathinones from oral fluids. Pre-polymerization complex and resulting materials were appropriately characterized by infrared spectroscopy, scanning electron microscopy, and nitrogen adsorption-desorption isotherms. Appropriateness of the material for the specific recognition of the target analytes was also evaluated through …
Plasmonic Nanosensor Array for Multiplexed DNA-based Pathogen Detection
2019
In this research we introduce a plasmonic nanoparticle based optical biosensor for monitoring of molecular binding events. The sensor utilizes spotted gold nanoparticle arrays as sensing platform. The nanoparticle spots are functionalized with capture DNA sequences complementary to the analyte (target) DNA. Upon incubation with the target sequence, it will bind on the respectively complementary functionalized particle spot. This binding changes the local refractive index, which is detected spectroscopically as the resulting changes of the localized surface plasmon resonance (LSPR) peak wavelength. In order to increase the signal, a small gold nanoparticle label is introduced. The binding ca…
Optimisation of chromatographic resolution using objective functions including both time and spectral information.
2014
The optimisation of the resolution in high-performance liquid chromatography is traditionally performed attending only to the time information. However, even in the optimal conditions, some peak pairs may remain unresolved. Such incomplete resolution can be still accomplished by deconvolution, which can be carried out with more guarantees of success by including spectral information. In this work, two-way chromatographic objective functions (COFs) that incorporate both time and spectral information were tested, based on the peak purity (analyte peak fraction free of overlapping) and the multivariate selectivity (figure of merit derived from the net analyte signal) concepts. These COFs are s…
Stir bar sorptive-dispersive microextraction mediated by magnetic nanoparticles-metal organic framework composite: Determination of N-nitrosamines in…
2019
Abstract A new analytical method based on the recently proposed stir bar sorptive-dispersive microextraction (SBSDME) technique has been developed to determine eight hazardous N-nitrosamines in cosmetic products. As previous step, a simple clean-up is carried out with hexane to remove those highly lipophilic compounds that disturb the SBSDME step. Subsequently, SBSDME is performed by using magnetic nanoparticles–metal organic framework composite, CoFe2O4/MIL-101(Fe), as sorbent to entrap the target analytes, which are later chemically desorbed and measured by liquid chromatography–tandem mass spectrometry (LC–MS/MS). The experimental variables related to the SBSDME procedure were studied to…