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Volume 1, September

Compounds, Volume 1, Issue 1 (June 2021) – 5 articles

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Article
Mechanical Properties of Spark Plasma Sintering-Processed Pure Ti and Ti-6Al-4V Alloys: A Comparative Study between Harmonic and Non-Harmonic Microstructures
Compounds 2021, 1(1), 41-57; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1010005 - 17 May 2021
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Abstract
Microstructure characteristics and compressive property relationships of so-called harmonic (composed by fine and coarse grains) and conventional pure titanium (Ti) and Ti-6Al-4V alloy processed by powder metallurgy route are presented in the present work. Electron backscatter diffraction (EBSD) analysis was performed to characterize [...] Read more.
Microstructure characteristics and compressive property relationships of so-called harmonic (composed by fine and coarse grains) and conventional pure titanium (Ti) and Ti-6Al-4V alloy processed by powder metallurgy route are presented in the present work. Electron backscatter diffraction (EBSD) analysis was performed to characterize the as-processed microstructures. The harmonicity structure of selected samples is described, and relevant EBSD maps are presented. The bulk samples’ hardness is reported, along with compressive responses at quasi-static and intermediate strain rates, ranging from 0.005 s−1 to 16 s−1. The strain rate sensitivity of these metallic samples is discussed, and the benefits in terms of mechanical properties of the harmonic microstructures compared with the non-harmonic conventional ones are highlighted. Finally, a modified Johnson–Cook model was shown to predict fairly the experimental results. Full article
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Article
A Novel Quinoxaline-Rhodamine Conjugate for a Simple and Efficient Detection of Hydrogen Sulphate Ion
Compounds 2021, 1(1), 29-40; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1010004 - 08 Apr 2021
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Abstract
This work presents the development of a quinoxaline and rhodamine conjugate system that acts as a colorimetric chemosensor for hydrogen sulfate (HSO4) ions in methanol media. This sensor has been characterized both theoretically and experimentally. The detection limits for HSO4 are small as 0.71 µM and 3.8 µM for the absorption and emission experiments, respectively. The effectiveness of the probe in recognizing HSO4 both in gel and solid phase is evaluated as well. Thus, this works presents a simple strategy to detect the environmental HSO4 pollutant event at tiny concentrations. Full article
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Article
Oxovanadium(V/IV) Complexes as Redox Mediators for Biofuel Cells: Physical, Magnetic, and Electrochemical Characterization, DFT and Molecular Docking
Compounds 2021, 1(1), 15-28; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1010003 - 29 Mar 2021
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Abstract
Based on the potential redox and catalytic ability of oxovanadium complexes, our goal was to characterize the physical properties of two such complexes to be used as mediators for laccase. Computational studies, TD-DFT calculations and docking simulations were performed to elucidate the interaction [...] Read more.
Based on the potential redox and catalytic ability of oxovanadium complexes, our goal was to characterize the physical properties of two such complexes to be used as mediators for laccase. Computational studies, TD-DFT calculations and docking simulations were performed to elucidate the interaction between laccase and the two anionic complexes (aquabis(oxalato)oxidovanadate(IV) (1) and bis(oxalato)dioxidovanadate(V)) (2), respectively. Electrochemical measurements carried out on anion complexes of 1 and 2 docked into laccase were compared to laccase alone, showing changes in oxidation-reduction potential and current value, especially with the oxovanadium anion of 2. Since both internal tiny magnetic fields of ferromagnetic catalysts and external applied magnetic fields were found in previous investigations to constitute effective ways to improve the oxygen transfer rate, the magnetic susceptibility was measured. A valence change proneness was confirmed with higher valence for the oxovanadium anion of 2, which is in accordance with the electrochemical results. Full article
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Article
Hf-Based UiO-66 as Adsorptive Compound and Oxidative Catalyst for Denitrogenation Processes
Compounds 2021, 1(1), 3-14; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1010002 - 19 Jan 2021
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Abstract
A series of porous metal–organic frameworks (MOFs) of the UiO-66 family, namely UiO-66(Zr), UiO-66(Hf) and UiO-66(Hf)-NH2, prepared by solvothermal procedures were characterized, and their catalytic efficiency for oxidative denitrification (ODN) was investigated for the first time. Sustainable denitrogenation systems combining adsorption [...] Read more.
A series of porous metal–organic frameworks (MOFs) of the UiO-66 family, namely UiO-66(Zr), UiO-66(Hf) and UiO-66(Hf)-NH2, prepared by solvothermal procedures were characterized, and their catalytic efficiency for oxidative denitrification (ODN) was investigated for the first time. Sustainable denitrogenation systems combining adsorption and oxidative catalytic capacity were designed using a model diesel containing two distinct nitrogen compounds (NCs) in a solvent-free medium and using an environment-friendly oxidant (H2O2). An efficient adsorptive denitrogenation process was only achieved after long reaction times (24 h): using the Hf-based MOFs, the adsorptive denitrogenation increased from 19% to 79% at 5 to 24 h, while the UiO-66(Zr) reached 76% after 24 h, although the absence of adsorption capacity after 5 h. UiO-66(Hf) and UiO-66(Hf)-NH2 also revealed superior oxidative catalytic denitrogenation than UiO-66(Zr), attaining 97% of efficiency instead of 80%. ODN processes demonstrated to be more effective than the adsorptive denitrogenation, mainly during the first hours of the process. In addition, the metal center in the MOF structure had a larger influence than the presence of the amine-functional groups. Hf-based compounds revealed higher denitrogenation efficiency than the UiO-66(Zr) for a shorter reaction time (5 h). Full article
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Editorial
Introducing Compounds: An Interdisciplinary Open Access Journal
Compounds 2021, 1(1), 1-2; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1010001 - 09 Dec 2020
Viewed by 687
Abstract
Almost 10 years have passed since the International Year of Chemistry was celebrated [...] Full article
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