Síntese e modificações de derivados heterocíclicos de D-arabinose: potenciais inibidores de glicose-6-fosfato isomerase e de glicosamina-6-fosfato sintase

The synthesis of -5-(D-arabino-1,2,3,4-tetrahydroxybutyl)tetrazole and -2-(D-arabino-1,2,3,4-tetra-acetoxybutyl)-5-methyl-1,3,4-oxadiazole from D-arabinose is described. Attempts at removing the protecting groups of the oxadiazole derivative were unsuccessful, leading to products resulting from the opening of the oxadiazole ring. The unprotected tetrazole derivative was selectively phosphorylated at the primary hydroxyl group with diethylphosphoryl chloride. The resulting 5-[D-arabino-4-(diethylphosphoryloxy)-1,2,3-trihydroxybutyl]tetrazole is a protected form of a potential inhibitor of the enzymes glucose-6-phosphate isomerase and glucosamine synthase.

Proteínas quinases: características estruturais e inibidores químicos

Protein kinases are one of the largest protein families and they are responsible for regulation of a great number of signal transduction pathways in cells, through the phosphorylation of serine, threonine, or tyrosine residues. Deregulation of these enzymes is associated with several diseases including cancer, diabetes and inflammation. For this reason, specific inhibition of tyrosine or serine/threonine kinases may represent an interesting therapeutic approach. The most important types of protein kinases, their structural features and chemical inhibitors are discussed in this paper. Emphasis is given to the small-molecule drugs that target the ATP-binding sites of these enzymes.

Estratégias de pré-concentração em eletroforese capilar (CE): parte 1. Manipulação da velocidade eletroforética do analito

Capillary electrophoresis has become a well-established and routine-based separation technique. It is based on the differences between charged analyte mobility in aqueous or organic electrolytes. Its major limitation is the sensitivity due to small sample injection volumes and the narrow diameter of the capillaries, especially when UV detection is used. There are a number of ways to increase the concentration sensitivity. This report shows some on-line preconcentration strategies to perform it in free solution capillary electrophoresis that are based on manipulation of the analyte electrophoretic velocity during the sample introduction (stacking, field amplification and transient isotachophoresis).

Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana

Alzheimer's disease (AD) is considered the main cause of cognitive decline in adults. The available therapies for AD treatment seek to maintain the activity of cholinergic system through the inhibition of the enzyme acetylcholinesterase. However, butyrylcholinesterase (BuChE) can be considered an alternative target for AD treatment. Aiming at developing new BuChE inhibitors, robust QSAR 3D models with high predictive power were developed. The best model presents a good fit (r²=0.82, q²=0.76, with two PCs) and high predictive power (r²predict=0.88). Analysis of regression vector shows that steric properties have considerable importance to the inhibition of the BuChE.

Nanoestruturas em fotocatálise: uma revisão sobre estratégias de síntese de fotocatalisadores em escala nanométrica

Advanced oxidative processes (AOPs) are based on chemical processes that can generate free radicals, such as hydroxyl radicals (.OH) which are strong, non-selective oxidant species that react with the vast majority of organic compounds. Nanostructured semiconductors, especially titanium dioxide (TiO2) in the anatase phase, are well-established photocatalysts for this process, which have proved to be useful in the degradation of dyes, pesticides and other contaminants. Research in different strategies for the synthesis of nanostructured semiconductors, with particular characteristic is currently a topic of interest in many studies. Thus, this paper presents a review about various synthesis strategies of nanostructured photocatalysts.

Sistema limpo em linha para extração em fase sólida de contaminantes emergentes em águas naturais

A solid-phase in-line extraction system for water samples containing low levels of emerging contaminants is described. The system was specially developed for large volume samples (up to 4 L) using commercial solid-phase extraction (SPE) cartridges. Four sets containing PTFE-made connectors, brass adapters and ball valves were used to fit SPE cartridges and sample bottles to a 4-port manifold attached to a 20 L carboy. A lab-made vacuum device was connected to the manifold cap. The apparatus is robust and less expensive than the typical available system. Its also provides less experimental handling, avoiding cross contamination and sample losses.

Estratégias de pré-concentração em eletroforese capilar: parte 2. Manipulação da velocidade da fase dispersa/secundária

This work describes CE preconcentration strategies based on the effect of manipulation of the disperse/secondary velocity. Introduced by Terabe et al. in 1984, micellar electrokinetic chromatography is a powerful separation approach that increases the usage of electrokinetic phenomena for the separation of nonionic compounds. The main disadvantage of MEKC is the low concentration sensitivity associated with the limited optical path length for on-capillary photometric detection and the limited volume of sample solution that can be injected. This paper compiles on-line concentration strategies for neutral analytes by sample stacking and sweeping in micellar electrokinetic chromatography.

Estratégias para a síntese de γ-alquilidenobutenolídeos

α,β-unsaturated lactones possessing an alkylidene appendage group at the γ-position, are frequently termed γ-alkylidenebutenolides. Over the past decades, an increasing number of these compounds have been isolated from various natural sources. Members of this class of substances vary greatly in structural complexity and functionality. Besides that, many of them have been shown to display a wide range of biological activities. The γ-alkylidenebutenolides has attracted the attention of the organic synthetic chemists resulting in the development of a variety of process to synthesize them. This article review is concerned with the different approaches that can be utilized to prepare γ-alkylidenebutenolides.

Avaliação do uso de inibidores de etileno sobre a produção de compostos voláteis e de mangiferina em manga

Effects of two ethylene inhibitors, 1-methylcylopropene (1-MCP) and aminoethoxyvinylglycine (AVG), on production of volatile compounds and mangiferin (a bioactive xanthone) in 'Tommy Atkins' mango fruit were investigated. Volatile composition and mangiferin content, in treated and untreated fruits at three maturity, stages were determined by SPME-GC-MS and HPLC, respectively. These chromatographical analysis revealed that the volatile profiles and mangiferin concentrations were not significantly different, suggesting that the use of ethylene inhibitors does not affect the mango aroma and functional properties relative to this xanthone. Moreover, a simple, precise and accurate HPLC method was developed for quantifying mangiferin in mango pulp.

Catalisadores metalocênicos suportados para a produção de poliolefinas: revisão das estratégias de imobilização

The inadequacy of strategies used for the heterogeneization of metallocene catalysts is pointed out as one of the main causes of the lack of industrial employability of such polymerization catalysts. The main problems are the necessity of large quantity of MAO (cocatalyst) and the inability to control molecular mass distribution of the polymers. Based on this background, the main strategies for the heterogeneization of metallocenes are here reviewed. The advantages and disadvantages of each strategy are presented and discussed on theoretical and practical perspective. Considering the results reported on the different researches, outcomes of heterogeneization strategies are pointed out.

Aplicações de cromatografia líquida de alta eficiência para o estudo de poluentes orgânicos emergentes

Emerging organic pollutants (EOP) include many environmental contaminants based on commercial products such as pharmaceuticals, personal care products, detergents, gasoline, polymers, etc. EOP may be candidates for future regulation as they offer potential risk to environmental and human health due to their continual entrance into the environment and to the fact that even the most modern wastewater treatment plants are not able to totally transform / remove these compounds. High performance liquid chromatography is recommended to separate emerging organic pollutants with characteristics of high polarity and low volatility, especially pharmaceuticals, from environmental matrices.

Roadmap tecnológico em matérias-primas renováveis: uma base para a construção de políticas e estratégias no Brasil

This paper presents a technology roadmap applied to renewable raw materials as a basis for public policy and strategies in Brazil. The roadmap, developed by Braskem professionals and academic experts, intends to be a basis of discussion and common language creation regarding the possible utilization of renewable raw materials for biofuel and chemical production in Brazil. Following this perspective, the roadmap is presented to public debate and contribution from the stakeholders. The paper describes the roadmap construction and presents the main implications for policy and strategy goals. An analysis of the innovation dynamics in renewable raw materials is developed as an outcome of the roadmap.

Diferentes estratégias para a reticulação de quitosana

One of the most important aspects of chitosan' derivatization depends on the crosslinking of their polymeric chains. This chemical strategy may confer new properties to those derivatives, which can be used to enhance their biotechnological applications. So far, this work aims to discuss some strategies related to the crosslinking of chitosan focusing on reagents, reaction mechanisms and properties/applications of the crosslinked derivatives in several fields of science.

Estratégias para estudo das correlações de energia livre em acoplamento aril-aril de Suzuki: elucidando ciclos catalíticos através da equação de Hammett

The present work deals with the study of the correlation of free-energy developed in a catalytic system for Suzuki coupling, by way of the Hammett equation. The system presents NCP pincer palladacycle 1 as a catalyst precursor, which proved to be very efficient in the coupling of various aryl boronic acids with aryl halides in previous studies. Thus, the article presented here intends to serve as a support for further investigations and clarifications relating to cross-coupling catalytic cycles.

Degradação de poluentes emergentes por processos Fenton e foto-Fenton

A continuous photochemical treatment system was developed for aiming the treatment of aqueous solutions containing relevant micro-pollutants (microcystin-LR, sulfamethoxazole and 17-b estradiol). The continuous photo-Fenton process provided high degradation efficiency. However, contact time between samples and the irradiated region is short relative to total treatment time, indicating that observed changes are predominantly due to the Fenton process. Higher degradation efficiency was observed in systems operated using two treatment cycles, the first involving a batch Fenton process and the second a continuous photo-Fenton treatment.