Dissulfeto de molibdênio, um material multifuncional e surpreendente

The aim of this work is to review the chemical and physical properties of layered molybdenum disulfide. The three polymorphic/polytypic modifications of the compound were found, the polytypes 2H (molybdenite) and 3R are semiconductors while the polymorph 1T is an electronic conductor. 2H-MoS2 has several important industrial applications as hydrotreatment catalysts, energy storage devices, solar cells, solid lubricants, among others. When intercalated, the 2H phase changes to a distorted 1T phase, producing unstable intercalation compounds that can be exfoliated in solution, producing single layers and consequently nanocomposites. The direct synthesis of the 1T phase produces stable intercalation compounds. Recently molybdenum disulfide was prepared as nanotubes and fulerene-like structures that bring new insights in the investigation of this important material.

Propelente sólido compósito polibutadiênico: I- influência do agente de ligação

In the Brazilian Complete Spacial Mission, the research of Vehicle Satellite Launcher is important. The solid propellant composite used in this vehicle is made with ammonium perchlorate, aluminiun powder and hydroxy terminated polibutadiene resin. In the propellant the bonding agent has a function to promote the interaction between solids and polimeric matrix, improving mechanical properties as stress, strain, aging characteristics and moisture embrittlement. Due its importance in propellant, bonding agent is consider as industrial secret and the literature about it is generic, without greater informations.

Estratégia de simplificação molecular no planejamento racional de fármacos: a descoberta de novo agente cardioativo

In this article are described examples of the successful use of molecular simplification strategy in the discovery of new drugs from bioactive natural products and synthetic compounds. The discovery of a new cardiotonic derivative (37, 2-thienylidene-3,4-methylenedioxybenzoylhydrazine; LASSBio-294), efficiently synthesized from Brazilian natural product and structurally designed by molecular simplification of active pyridazinone compounds reported in the literature, is described. A brief description of the pharmacological profile of this new cardiotonic lead-compound, belonging to the N-acylhydrazone (NAH) class, is also reported herein.

Influência do agente precipitante na preparação do óxido de nióbio (V) hidratado pelo método da precipitação em solução homogênea

This work reports the preparation, characterization and study of the ion exchange behavior of hydrous niobium oxide prepared by a homogeneous precipitation method. The precipitating agent was obtained in aqueous solution by thermal decomposition of urea or ammonium carbonate. The compounds were chemically and physically characterized by X-ray diffractometry, thermal analysis (TG/DTG), surface area measurements and ion exchange behavior with sodium. The materials prepared with ammonium carbonate presented a higher degree of crystallinity and better ion exchange capacity with sodium than materials prepared with urea. In the homogeneous precipitation method, materials were obtained with specific surface area of 123 - 224 m² g-1. A variation of the preparation process produced hydrous niobium oxide with a different degree of hydration and specific surface area. This provided materials with different physico-chemical properties.

Ácidos siálicos: da compreensão do seu envolvimento em processos biológicos ao desenvolvimento de fármacos contra o agente etiológico da gripe

Sialic acids are nine-carbon carbohydrates that occur widely in nature and occupy the terminal portions of some glycoproteins and glycolipids of cell membranes. These carbohydrates are closely involved in cell-cell interactions and in processes such as microbial infection, inflammation, etc. Studies on the participation of sialic acids in biological processes have provided comprehension about their role in the infection by the influenza virus, the causal agent of flu. In this article, we present an overview of the importance of sialic acids in the influenza virus infection and how the knowledge of their involvement in this process has allowed the development of selective and efficient drugs against the virus.

La marca como agente creador de contenido multiplataforma transmedia: la transformación de Red Bull

En els últims anys la comunicació ha evolucionat a causa de la digitalització de la societat i l'aparició de múltiples plataformes socials. Per això, aquesta investigació busca analitzar com ha canviat l'entorn comunicatiu, fins a quins nivells ha afectat això a les marques i als consumidors prenent com a punt central d'aquest projecte la transmedialitat, les seves característiques i les seves funcions. A més, analitzarem tots aquests canvis aplicant els coneixements teòrics a la campanya Red Bull Stratos, que per a molts va marcar un abans i un després en la història del màrqueting de continguts.

Síntese e caracterização de um novo complexo de platina (IV) a partir de seu análogo de platina (II) utilizando iodo molecular como agente oxidante: uma rota sintética interessante para obtenção de novos complexos de platina

In an attempt to reduce toxicity and widen the spectrum of activity of cisplatin and its analogues, much attention has been focused on designing new platinum complexes. This work reports the synthesis and characterization of novel compounds of the platinum (II) and platinum (IV) containing 2-furoic hydrazide acid and iodide as ligands. Although the prepared compounds do not present the classical structure of biologically active platinum analogues, they could be potentially active or useful as precursors to prepare antitumor platinum complexes. The reported compounds were characterized by ¹H NMR, 13C NMR, 195Pt NMR, IR and elemental analyses.

Preparação de carvão ativado em baixas temperaturas de carbonização a partir de rejeitos de café: utilização de FeCl3 como agente ativante

Ferric chloride as a new activating agent was used to obtain activated carbons from agroindustrial waste. This material was prepared at three temperatures of pyrolysis, 200, 280 and 400 ºC. The carbonaceous materials obtained after the activation processes showed high specific surface areas (BET), with values higher than 900 m² g-1. The materials showed different behaviors in the adsorption of methylene blue dye and reactive red textile dye in water solutions. An important fact in the use of FeCl3 as an activating agent is that the activation temperature is at 280 ºC, well below of those commonly employed in chemical or physical activations described in the literature.

Microencapsulação do agente quelante sulfoxina em microesferas de quitosana preparadas por spray drying como novo adsorvente para íons metálicos

In this work, a new adsorbent was prepared by microencapsulation of sulfoxine into chitosan microspheres by the spray drying technique. The new adsorbent was characterized by Raman spectroscopy, scanning electron microscopy and microanalysis of energy dispersive X-rays. The Cu(II) adsorption was studied as a function of pH, time and concentration. The optimum pH was found to be 6.0. The kinetic and equilibrium data showed that the adsorption process followed the pseudo second-order kinetic model and the Langmuir isotherm model over the entire concentration range. An increase of 8.0% in the maximum adsorption capacity of the adsorbent (53.8 mg g-1) was observed as compared to chitosan glutaraldehyde cross-linked microspheres.

Estudo da degradação fotocatalítica de dimetil dissulfeto: avaliação estatistica do efeito do pH da temperatura e concentração do contaminante orgânico

This work aimed to assess the photocatalytic degradation of a model odor compound (dimethyl disulfide, DMDS), found in liquid and gaseous wastes of plants for processing poultry byproducts. The effect of pH and temperature on adsorption and photocatalytic degradation was evaluated through factorial experimental designs. The results suggest the presence of an optimum region for adsorption, at 45.0 ºC and pH 4.0. In the photocatalytic runs an optimum for temperature and pH was also observed. At 45 ºC and pH 4.0 the removal of DMDS was 99% after 60 min of irradiation.

O ressurgimento da química de benzino com sililaril triflatos no contexto das reações de inserção em ligações sigma

In this paper we gathered articles concerning insertion reactions of arynes, exclusively generated from 2-(trimethylsilyl)aryl triflates in the presence of fluoride ions, in substrates bearing nucleophilic and electrophilic portions separated by sigma bonds. Accordingly, we stand out the great importance and versatility of such transformations in the preparation of highly functionalized aromatic systems, which are hardly synthesized in just one step for other methods.

A topologia molecular QTAIM e a descrição mecânico-quântica de ligações de hidrogênio e ligações de di-hidrogênio

Hydrogen bonds formed through the interaction between a high electronic density center (lone electron pairs, π or pseudo-π bonds) and proton donors cause important electronic and vibrational phenomena in many systems. However, it was demonstrated that proton donors interact with hydrides, such as alkali and alkaline earth metals (BeH2, MgH2, LiH and NaH), what yields a new type of interaction so-called dihydrogen bonds. The characterization of these interactions has been performed at light of the Quantum Theory of Atoms in Molecules (QTAIM), by which the electronic densities ρ are quantified and the intermolecular regions are characterized as closed-shell interactions through the analysis of the Laplacian field ∇2ρ.

Síntese da perovsquita do tipo LaNiO3 através do método dos precursores quelantes usando EDTA: otimização do teor de agente quelante

The perovskites are strategic materials due their catalytic, electronic and magnetic properties. These properties are influenced by the calcination and synthesis conditions. In this work was carried out the synthesis of LaNiO3 perovskite-type by chelating precursor method using EDTA and also was studied the optimization of the EDTA content in the synthesis. The synthesized materials were characterized by X-ray diffraction (XRD), thermal gravimetric analysis (TG) and Infrared Spectroscopy (FTIR). In the optimization of the EDTA content the lowest ratio of metal / EDTA used was 1.0 / 0.1, where it was possible to obtain monophasic perovskite.

Estudo das ligações de hidrogênio para dímeros formados pelas moléculas de H2O, NH3, HF, HCl e HBr através de cálculos baseados em primeiros princípios

Hydrogen bond energies of fifteen dimers were calculated using the large basis set 6-311++G(3df,3pd), at Hartree-Fock (HF) level including Møller-Plesset (MP2) calculations. The procedure for obtaining such energies were based on the dimer's energy rise provoked by increasing in intermolecular distance of the system component units. Deviations from a strictly linear hydrogen bond were investigated and rotational barriers were also computed allowing the calculation of the second order attractive interactions. In order to provide a more objective definition of hydrogen bond, a lower energy limit was proposed in place of the merely empirical parameters employed in the classical definition

O desafio da ativação das ligações C-H em síntese orgânica

This review aims at to the presentation and discussion of the principal aspects of the C-H activation by transition metals. Representative examples were selected from the recent literature to illustrate these principles beginning with somewhat simple examples and moving up to more complex ones. The synthetic potential of the C-H activation, as well as the potential advantages and disadvantages of the methodology are highlighted with relevant recent examples, along with brief insights on the mechanism aspects of these reactions.