Listar GI-REACT! - Artigos por título
Mostrando ítems 17-36 de 113
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Cinderella Elements: Strategies to Increase the Stability of Group 1 Complexes by Tailoring Crown Macrocycles
(Elsevier, 2014-06-01)[Abstract] The synthesis and structural characterization of six sodium complexes with bibracchial lariatethers containing aniline or benzimidazole side arms, and derived from 1,7 diaza-12-crown-4, 1,10-diaza-15-crown-5 or ... -
Cobalt Impregnation on Titania Photocatalysts Enhances Vis Phenol Photodegradation
(MDPI, 2023-06-01)[Abstract] One of the main challenges of photocatalysis is to find a stable and effective photocatalyst, that is active and effective under sunlight. Here, we discuss the photocatalytic degradation of phenol as a model ... -
Combining Constructed Wetlands and UV Photolysis for the Advanced Removal of Organic Matter, Nitrogen, and Emerging Pollutants from Wastewater
(MDPI, 2023-02-23)[Abstract] This study reports the performance of a three-step lab-scale system including a hybrid digester (HD), a vertical flow (VF) constructed wetland, and a photodegradation (PD) lamp, with two different arrangements ... -
Common Reactivity and Properties of Heme Peroxidases: A DFT Study of Their Origin
(MDPI, 2023-01-28)[Abstract] Electronic structure calculations using the density-functional theory (DFT) have been performed to analyse the effect of water molecules and protonation on the heme group of peroxidases in different redox (ferric, ... -
Configuration of Ammonia on CU{311}: Infrared Spectroscopy and First-Principles Theory
(AIP Publishing, 2024-02-01)[Abstract]: We describe Reflection Absorption Infrared Spectroscopy (RAIRS) and first-principles Density Functional Theory (DFT) studies of ammonia adsorption on the Cu{311} surface. Our experimental results indicate an ... -
Conformational study of lanthanide(III) complexes of N-(2-salicylaldiminatobenzyl)-1-aza-18-crown-6 by using X-ray and ab initio methods
(Elsevier, 2008-02-21)[Abstract] A structural study of lanthanide complexes with the deprotonated form of the monobracchial lariat ether N-2-salicylaldiminatobenzyl-aza-18-crown-6 (L4) (Ln = La(III)–Tb(III)) is presented. Attempts to isolate ... -
Controlling Water Exchange Rates in Potential Mn²⁺-Based MRI Agents Derived From NO2A²⁻
(Royal Society of Chemistry, 2019-02-22)[Abstract] We report a series of pentadentate ligands based on a 1,4,7-triazacyclononane-1,4-diacetic acid (H2NO2A) containing different substituents attached to the third nitrogen atom of the macrocyclic unit. Detailed ... -
[C–H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal–organic structures in aqueous solutions
(Royal Society of Chemistry, 2016-02-12)[Abstract] Two synthetic approaches—temperature variation and anion templation—allowed for the selective formation of a [2]catenane ([2]C4+) or a trefoil knot (TK6+), or for the enhanced formation of a Solomon link (SL8+), ... -
Defining the Conditions for the Development of the Emerging Class of Feᴵᴵᴵ-Based MRI Contrast Agents
(Royal Society of Chemistry, 2021-07-26)[Abstract] Fe(III) complexes are attracting growing interest in chemists developing diagnostic probes for Magnetic Resonance Imaging because they leverage on an endogenous metal and show superior stability. However, in ... -
Definition of an intramolecular Eu‐to‐Eu energy transfer within a discrete [Eu2L] complex in solution
(Wiley, 2012-06-25)[Abstract] Ligand L, based on two do3a moieties linked by the methylene groups of 6,6′‐dimethyl‐2,2′‐bipyridine, was synthesized and characterized. The addition of Ln salts to an aqueous solution of L (0.01 M Tris‐HCl, pH ... -
Definition of the labile capping bond effect in lanthanide complexes
(Wiley, 2017-01-23)[Abstract] Two macrocyclic ligands containing a cyclen unit, a methyl group, a picolinate arm, and two acetate pendant arms attached to two nitrogen atoms of the macrocycle either in trans (1,7-H3Medo2 ampa = 2,2′-(7-((6 ... -
Degradation of Aqueous Ketoprofen by Heterogeneous Photocatalysis Using Bi2S3/TiO2–Montmorillonite Nanocomposites Under Simulated Solar Irradiation
(Elsevier, 2018-09-13)[Abstract] The photocatalytic degradation of Ketoprofen (KP), 2-(3-benzoylphenyl)-propionic acid was studied under near UV–Vis irradiation (NUV-Vis) using supported photocatalysts. Bi2S3/TiO2-montmorillonite (Bi2S3/TiO2-Mt) ... -
Density functional dependence of molecular geometries in lanthanide(III) complexes relevant to bioanalytical and biomedical applications
(Elsevier, 2012-11-01)[Abstract] A set of 15 lanthanide-containing model systems was used to evaluate the performance of 15 commonly available density functionals (SVWN, SPL, BLYP, G96LYP, mPWLYP, B3LYP, BH&HLYP, B3PW91, BB95, mPWB95, TPSS, ... -
Designing binuclear transition metal complexes: a new example of the versatility of N,N′-bis(2-aminobenzyl)-4,13-diaza-18-crown-6
(Royal Society of Chemistry, 2005-04-27)[Abstract] N,N′-Bis(2-aminobenzyl)-4,13-diaza-18-crown-6 (L) is a versatile receptor able to adapt to the coordinative preferences of different metal cation guests. With first-row transition metal ions, L tends to form ... -
Developing the family of picolinate ligands for Mn2+ complexation
(Royal Society of Chemistry, 2016-12-22)[Abstract] We have reported here a series of ligands containing pentadentate 6,6′-(azanediylbis(methylene))dipicolinic acid units that differ in the substituent present at the amine nitrogen atom (acetate: H3DPAAA; phenyl: ... -
Diimidazolium Halobismuthates [Dim]2[Bi2X10] (X = Cl–, Br–, or I–): A New Class of Thermochromic and Photoluminescent Materials
(American Chemical Society (ACS), 2018-06-12)[Abstract] We present a novel family of polyhalide salts of Bi(III) with the general formula [Dim]2[Bi2X10], where Dim2+ is the diimidazolium cation (C9H14N4)2+ and X is Cl–, Br–, or I–. Single-phase materials are easily ... -
Dimer formation of GdDO3A-arylsulfonamide complexes causes loss of pH-dependency of relaxivity
(Royal Society of Chemistry, 2017-11-06)[Abstract] Gadolinium(III) complexes with pH-dependent relaxivities have been proposed as responsive magnetic resonance imaging (MRI) contrast agents (CA) for mapping of pH value in living subjects. The latter is clinically ... -
Ditopic receptors containing urea groups for solvent extraction of Cu(II) salts
(Royal Society of Chemistry, 2017-02-15)[Abstract] The ditopic receptor L3 [1-(2-((7-(4-(tert-butyl)benzyl)-1,4,7,10-tetraazacyclododecan-1-yl)methyl)phenyl)-3-(3-nitrophenyl)urea] containing a macrocyclic cyclen unit for Cu(II)-coordination and a urea moiety ... -
Effect of Ionizing Radiation on Human Myeloperoxidase: Reaction With Hydrated Electrons
(Elsevier, 2021-11-27)[Abstract] Myeloperoxidase (MPO) is a myeloid-lineage restricted enzyme largely expressed in the azurophilic granules of neutrophils. It catalyses the formation of reactive oxygen species, mainly hypochlorous acid, ... -
Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes
(Royal Society of Chemistry, 2017-09-07)[Abstract] We have synthesised and characterised the dimeric copper(II) complexes [{CuCl(PzTz)}2(μ-Cl)2], [{CuCl(DMPzTz)}2(μ-Cl)2] and [{CuCl(DPhPzTz)}2(μ-Cl)2] and the monomeric complex [CuCl2(DMPzTz)] (PzTz = ...