Search results for "complex"
showing 10 items of 5889 documents
Characterization of interaction between tricyclic structures containing pharmaceuticals, their models and humic substances.
2011
Their persistence and wide consumption identify pharmaceuticals as “emerging pollutants”. The complexation of pharmaceuticals containing adamantine ring structures and their model substances with humic acids (HA) of different origins was compared using fluorescence spectroscopy as a function of pH, humic acid concentration, ionic strength, and molecular mass of HA. Binding constants between the studied pharmaceuticals and humic acids were calculated. A combination of dynamic and static quenching processes as indicated by nonlinear Stern-Volmer plots and high Kd values were positively correlated with the concentration of carboxyl groups in the studied humic acids. For basic functional group-…
The impact of Pleurotus ostreatus on organic matter transformation processes.
2012
This study showed the effect of Pleurotus ostreatus on the external organic matter (OM) transformation processes. The kinetics of these changes were determined. The experiment was conducted as 42-day pot experiment done in four combinations (with four replications). The four combinations of different substrates were: (1) organic, (2) composted hay, (3) organic soil + composted hay, (4) organic soil + composted hay + lead. The study results showed that P. ostreatus had the ability to transform external OM as well as metal–organic complexes. These transformations were reflected in the constant rate of characterized changes and correlation coefficients. The study also indicated the direction o…
Simulation of Metabolism for The Calculation of Enzyme Activities in Stress Metabolism
1988
Abstract Using data of indirect calorimetry, total energy turnover as well as the rate of combustion of carbohydrates, fat and amino acids can be calculated. For the evaluation, simple standard procedures (4) are used. These procedures presume, that several assumptions are satisfied, e.g. a complete degradation of the energy delivering substrates and undisturbed enzyme activities. To be able to interprete also measurements, which are performed in the post-traumatic state as well as for estimation of the extent and consequences of reduced enzyme activities, a new method for the simulation of metabolism was developed. Hie underlying model considers a reduced activity of key enzymes and a swit…
A wide family of pyridoxal thiosemicarbazone ferric complexes: Syntheses, structures and magnetic properties
2009
Abstract This study reports the syntheses and the characterization of 12 ferric complexes of pyridoxal thiosemicarbazone. The richness of the coordination chemistry of this ligand is highlighted by the modulation of its charge from neutral H 2 L to anionic L 2− , thus leading to a wide family of ferric compounds with charge varying from +3 to −1. The structures of complexes [Fe(HL) 2 ]ClO 4 · 2H 2 O and [Fe(HL)L] · 4.5H 2 O were solved and discussed with a particular attention brought to the intermolecular interactions occurring between the complexes. The investigation of magnetic properties of these compounds revealed that two of them are in the HS state at any temperature, whereas the ot…
DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes
2017
In this work, we present scaled variants of the DLPNO-CCSD(T) method, dubbed as (LS)DLPNO-CCSD(T) and (NS)DLPNO-CCSD(T), to obtain accurate interaction energies in supramolecular complexes governed by noncovalent interactions. The novel scaled schemes are based on the linear combination of the DLPNO-CCSD(T) correlation energies calculated with the standard (LoosePNO and NormalPNO) and modified (Loose2PNO and Normal2PNO) DLPNO-CCSD(T) accuracy levels. The scaled DLPNO-CCSD(T) variants provide nearly TightPNO accuracy, which is essential for the quantification of weak noncovalent interactions, with a noticeable saving in computational cost. Importantly, the accuracy of the proposed schemes is…
Peptide-metal complexes: obtention and role in increasing bioavailability and decreasing the pro-oxidant effect of minerals.
2020
Bioactive peptides derived from food protein sources have been widely studied in the last years, and scientific researchers have been proving their role in human health, beyond their nutritional value. Several bioactivities have been attributed to these peptides, such as immunomodulatory, antimicrobial, antioxidant, antihypertensive, and opioid. Among them, metal-binding capacity has gained prominence. Mineral chelating peptides have shown potential to be applied in food products so as to decrease mineral deficiencies since peptide-metal complexes could enhance their bioavailability. Furthermore, many studies have been investigating their potential to decrease the Fe pro-oxidant effect by f…
A Step into the Future: Applications of Nanoparticle Enzyme Mimics.
2018
We describe elementary concepts, up-to-date developments, and perspectives of the emerging field of nanoparticle enzyme mimics (so-called "nanozymes") at the interface of chemistry, biology, materials, and nanotechnology. The design and synthesis of functional enzyme mimics is a long-standing goal of biomimetic chemistry. Metal complexes, polymers and engineered biomolecules capturing the structure of natural enzymes or their active centers have been made to achieve high rates and enhanced selectivities. Still, the design of new "artificial enzymes" that are not related to proteins but with capacity of production and stability at industrial level, remains a goal. Inorganic nanoparticles bea…
Mössbauer Spectroscopic Study and Magnetic Investigation of Iron(III) Complexes on a DendrimericBasis
2014
The functionalization of the molecular surface of various dendrimer generations with a phosphorous core and external amine groups is obtained by converting those amine groups into the corresponding imines of salicylaldehyde creating multiple coordination sites for the iron atoms. Treatment with iron(III) chloride yields multinuclear iron(III) complexes on a dendrimeric basis.The obtained multinuclear molecular systems exhibit extremely high total spin values. The influence of the generation growth on this type of coordination compounds is investigated by Mossbauer spectroscopy and SQUID magnetometry.
Iron(III) Complexes on a Dendrimeric Basis and Various Amine Core Investigated by Mössbauer Spectroscopy
2014
Dendrimers of various generations were synthesized by the divergent method. Starting from various amine cores (G0a, G0b, G0c) the generations were built by reaction of the amine with acrylnitrile followed by hydrogenation with DIBAL-H. Treatment with salicylaldehyde creates a fivefold coordination sphere for iron in the molecular periphery. The resulting multinuclear coordination compounds are investigated by Mossbauer spectroscopy.