Unveiling the relevance of the redox character of nitroaromatic and nitroheteroaromatic compounds as potential medicines

This review discusses the state of the art, challenges, and perspectives in recent applications of nitroaromatics and nitroheteroaromatics, which are redox-bio-activated drugs or leads, in Medicinal Chemistry. It deals mainly with the electrochemical approach toward the electron transfer-based molecular mechanisms of drug action, drug design, estimation and measurement of redox potentials, correlation of physicochemical and pharmacological data, and electrochemical studies of the main representatives of nitro-containing prodrugs, along with approaches to combat their toxicity issues, aiming at a better therapeutic profile. Electrochemical investigation plays essential roles, being strategic in the design and discovery of potential medicines.     

QSAR modelling and structural aspects concerning synthetic heterocycles with larvicidal activity against Aedes aegypti

Structural Chemistry - In this paper, we present a quantitative structure–activity relationships modelling for two series of heterocyclic synthetic compounds with larvicidal activity against...     

Fe2+-Mg order–disorder study in orthopyroxenes from São João Nepomuceno (IVA) iron meteorite

São João Nepomuceno (SJN) is an iron meteorite belonging to IVA chemical group. It consists of Fe-Ni metal matrix and silicate inclusions made of a coarse-grained mixture of tridymite, orthopyroxene and clinopyroxene. In spite of the extensive work performed on the IVA group there is still no consensus about their origin and its thermal history is subject of ongoing debates. In this work, we report preliminary results on Fe^2?+? distribution in the non-equivalent octahedral sites in orthopyroxene crystals extracted from São João Nepomuceno in order to infer on the thermal history of this meteorite and therefore acquire more information related to the origin of the IVA iron meteorite group.     

Highly corrosion resistant siloxane-polymethyl methacrylate hybrid coatings

Siloxane-polymethyl methacrylate hybrid films were deposited on carbon steel substrates by dip-coating from a sol prepared by acid-catalyzed hydrolytic co-polycondensation of tetraethoxysilane (TEOS) and 3-methacryloxy propyl-trimethoxysilane (MPTS), followed by radical polymerization of methyl methacrylate (MMA). Structural properties of the hybrids were studied using ²⁹Si and ¹³C nuclear magnetic resonance (NMR), X-ray photoelectron spectroscopy (XPS) and thermogravimetric analysis (TGA), as a function of the MMA/MPTS ratio, which ranged between 2 and 10. The efficiency of corrosion protection of hybrid-coated carbon steel was investigated by XPS, potentiodynamic polarization curves and electrochemical impedance spectroscopy after immersion of the material in acidic and neutral saline aqueous solution. The NMR and TGA results indicate a high degree of polycondensation (84%) and elevated thermal stability of 410?°C for the hybrid film with a MMA/MPTS ratio of 8, exhibiting also and excellent adhesion to the substrate. The XPS analysis confirmed the variation of the MMA phase in the hybrid, and showed that no corrosion-induced changes had occurred after 18?days immersion of the coated steel in 3.5% NaCl solution. Potentiodynamic polarization curves have shown that the hybrid coating prepared using a TEOS/MPTS ratio of 8 yielded the best anti-corrosion performance. It acts as a very efficient corrosion barrier, increasing the total impedance by almost 6 orders of magnitude and reducing the current densities by 4 orders of magnitude, compared to the bare electrode. The obtained results are discussed based on the correlation of structural information with impedance data presented for both electrolytes in the form of electrical equivalent circuits.     

Ground state of alkaline-earth fermionic atoms in one-dimensional optical lattices

The properties of the wave transmission in the lossy single-negative (SNG) metamaterials are experimentally investigated. The model structure of lossy epsilon-negative (ENG) monolayer and SNG bilayer consisting of a lossy ENG material and a mu-negative (MNG) are considered in this work. Simulation and experimental results show that the transmittance of the lossy SNG materials can be enhanced by two approaches, increasing dissipation coefficient and increasing the thickness of the lossy SNG. The lossy ENG material is physically fabricated by using composite right- and left-handed transmission lines grafted with radiation unit cell. The experimental results are in very good agreement with the previous theoretical analysis.     

Bursting synchronization in networks with long-range coupling mediated by a diffusing chemical substance

Many networks of physical and biological interest are characterized by a long-range coupling mediated by a chemical which diffuses through a medium in which oscillators are embedded. We considered a one-dimensional model for this effect for which the diffusion is fast enough so as to be implemented through a coupling whose intensity decays exponentially with the lattice distance. In particular, we analyzed the bursting synchronization of neurons described by two timescales (spiking and bursting activity), and coupled through such a long-range interaction network. One of the advantages of the model is that one can pass from a local (Laplacian) type of coupling to a global (all-to-all) one by varying a single parameter in the interaction term. We characterized bursting synchronization using an order parameter which undergoes a transition as the coupling parameters are changed through a critical value. We also investigated the role of an external time-periodic signal on the bursting synchronization properties of the network. We show potential applications in the control of pathological rhythms in biological neural networks.