A Química na agricultura: perspectivas para o desenvolvimento de tecnologias sustentáveis

Food production and preservation of the environment are among the challenges faced by contemporary society. In Brazil, as in most parts of the world, the possibility of increasing the agricultural area is limited by several factors. Thus, an increase in productivity through the application of innovative technologies is regarded as the best solution to overcome such a problem. For long, chemistry has contributed to agricultural innovations such as synthetic pesticides for pest management. However, due to the well-known adverse effects of these compounds, new "greener" strategies are being explored. Research in chemical ecology, in combination with other emerging sciences, is leading to the development of new technologies such as plant-based pesticides (biopesticides); synthetic pheromones and plant volatile organic compounds, both of them to manipulate insect behavior; chemical elicitors to boost plant resistance; and genetic engineering of plant varieties. In these, chemistry plays an important role in the identification and synthesis of functional compounds. These techniques may be incorporated in integrated pest management programs and may contribute to a sustainable agriculture in the future.

Carboidratos como fonte de compostos para a indústria de química fina

Coal, oil, natural gas, and shale gas are biomass that is formed millions of years ago. These are non-renewable and depleting, even considering the recent discovery of new sources of oil in the presalt and new technologies for the exploitation of shale deposits. Currently, these raw materials are used as a source of energy production and are also important for the production of fine chemicals. Since these materials are finite and their (oil) price is increasing, it is clear that there will be a progressive increase in the chemical industry to use renewable raw materials as a source of energy, an inevitable necessity for humanity. The major challenge for the society in the twenty first century is to unite governments, universities, research centers, and corporations to jointly act in all areas of science with one goal of finding a solution to global problems, such as conversion of biomass into compounds for the fine chemical industry.Non-renewable raw materials are used in the preparation of fuels, chemical intermediates, and derivatives for the fine chemical industry. However, their stock in nature has a finite duration, and their price is high and will likely increase with their depletion. In this scenario, the alternative is to use renewable biomass as a replacement for petrochemicals in the production of fine chemicals. As the production of biomass-based carbohydrates is the most abundant in nature, it is judicious to develop technologies for the generation of chain products (fuels, chemical intermediates, and derivatives for the fine chemicals industry) using this raw material. This paper presents some aspects and opportunities in the area of carbohydrate chemistry toward the generation of compounds for the fine chemical industry.

Panorama de propriedade intelectual, transferência de tecnologia e inovação da química brasileira e a comparação com os países do BRIC

Based on Science, Technology & Innovation (ST&I) indicators, Brazil is a competitive and interesting country from the point of view of technological foreign investment. However, it is still incipient with regard to national investments, production of technological knowledge, inbound mobility of scientists and technology transfer to the productive sector. Among many other factors, global patent production is considered as an important indicator of innovation. Likewise, the balance between revenue and expenses obtained through royalties and licensing fees of technologies is also critical in mapping the diffusion and absorption of knowledge. The understanding of intellectual property and its strategic management brings a significant advantage to the economic and technological development of nations, especially in the field of chemistry, which greatly contributes to biotechnology, new materials and microelectronics - three fundamental areas for innovation in developed countries. Therefore, this article aims to map out competencies in chemistry in Brazil and evaluate science, technology and innovation indicators in the country, comparing this dynamic to the one of other BRIC members (Russia, India and China). Chemistry is the fourth biggest field of interest in Brazil based on the number of researchers registered at the governmental platform for researchers, Plataforma Lattes/CNPq, and is preceded by education, medicine and agronomy. The majority of research groups are registered in the area of materials, followed by macromolecules and polymers, pharmaceutical products and basic materials chemistry. These groups represent approximately 77% of research groups analyzed, therefore, indicating a tendency in the country. The analyses of patents in different sub-areas of chemistry reveal that non-residents file most deposits in the country, a probable reflection of the low internal intellectual property culture. Pharmaceutics and Fine Chemistry are prominent areas in the country, in line with the global trend. Among BRIC countries, China has the highest number of patents and of requests for protection in international offices. On the other hand, Brazil has the lowest number of chemical patents published at USPTO, EPO and JPO. An analysis of the transfer of technology data indicates an increase in this activity in various sub-areas of chemistry in the country. Despite the great efforts made by the country to consolidate its national innovation system, more needs to be done to put Brazil in a competitive position. In a globalized world dominated by large players, Brazil needs a lot of progress on ownership and generation of chemistry technologies to strengthen its national sovereignty. It is essential to strengthen chemical research at all levels, from elementary school to university, as an inexhaustible source of knowledge and technology that, when properly protected, may generate real public achievement and social return.

Química Sem Fronteiras: o desafio da energia

Coal, natural gas and petroleum-based liquid fuels are still the most widely used energy sources in modern society. The current scenario contrasts with the foreseen shortage of petroleum that was spread out in the beginning of the XXI century, when the concept of "energy security" emerged as an urgent agenda to ensure a good balance between energy supply and demand. Much beyond protecting refineries and oil ducts from terrorist attacks, these issues soon developed to a portfolio of measures related to process sustainability, involving at least three fundamental dimensions: (a) the need for technological breakthroughs to improve energy production worldwide; (b) the improvement of energy efficiency in all sectors of modern society; and (c) the increase of the social perception that education is a key-word towards a better use of our energy resources. Together with these technological, economic or social issues, "energy security" is also strongly influenced by environmental issues involving greenhouse gas emissions, loss of biodiversity in environmentally sensitive areas, pollution and poor solid waste management. For these and other reasons, the implementation of more sustainable practices in our currently available industrial facilities and the search for alternative energy sources that could partly replace the fossil fuels became a major priority throughout the world. Regarding fossil fuels, the main technological bottlenecks are related to the exploitation of less accessible petroleum resources such as those in the pre-salt layer, ranging from the proper characterization of these deep-water oil reservoirs, the development of lighter and more efficient equipment for both exploration and exploitation, the optimization of the drilling techniques, the achievement of further improvements in production yields and the establishment of specialized training programs for the technical staff. The production of natural gas from shale is also emerging in several countries but its production in large scale has several problems ranging from the unavoidable environmental impact of shale mining as well as to the bad consequences of its large scale exploitation in the past. The large scale use of coal has similar environmental problems, which are aggravated by difficulties in its proper characterization. Also, the mitigation of harmful gases and particulate matter that are released as a result of combustion is still depending on the development of new gas cleaning technologies including more efficient catalysts to improve its emission profile. On the other hand, biofuels are still struggling to fulfill their role in reducing our high dependence on fossil fuels. Fatty acid alkyl esters (biodiesel) from vegetable oils and ethanol from cane sucrose and corn starch are mature technologies whose market share is partially limited by the availability of their raw materials. For this reason, there has been a great effort to develop "second-generation" technologies to produce methanol, ethanol, butanol, biodiesel, biogas (methane), bio-oils, syngas and synthetic fuels from lower grade renewable feedstocks such as lignocellulosic materials whose consumption would not interfere with the rather sensitive issues of food security. Advanced fermentation processes are envisaged as "third generation" technologies and these are primarily linked to the use of algae feedstocks as well as other organisms that could produce biofuels or simply provide microbial biomass for the processes listed above. Due to the complexity and cost of their production chain, "third generation" technologies usually aim at high value added biofuels such as biojet fuel, biohydrogen and hydrocarbons with a fuel performance similar to diesel or gasoline, situations in which the use of genetically modified organisms is usually required. In general, the main challenges in this field could be summarized as follows: (a) the need for prospecting alternative sources of biomass that are not linked to the food chain; (b) the intensive use of green chemistry principles in our current industrial activities; (c) the development of mature technologies for the production of second and third generation biofuels; (d) the development of safe bioprocesses that are based on environmentally benign microorganisms; (e) the scale-up of potential technologies to a suitable demonstration scale; and (f) the full understanding of the technological and environmental implications of the food vs. fuel debate. On the basis of these, the main objective of this article is to stimulate the discussion and help the decision making regarding "energy security" issues and their challenges for modern society, in such a way to encourage the participation of the Brazilian Chemistry community in the design of a road map for a safer, sustainable and prosper future for our nation.

Imagem pública e divulgação da química: desafios e oportunidades

Chemical knowledge plays a central role in the economical and social development of a nation. Chemistry is considered a key science, which provides the means and meanings that fuel the advancement of other fields of knowledge. However, the public image of chemistry is often associated with negative facts and misconceptions. This paper addresses and discusses the public image of chemistry with two case studies: the public image of chemistry depicted in two major Brazilian newspapers and the Brazilian project for the International Year of Chemistry (IYC). Analysis of the newspaper data strongly suggests that the public image of chemistry is related to both the way news is written and the ability of the reader to identify the chemical knowledge actually present in the text. Analysis of IYC related data in the second case study depicted an optimistic panorama for the divulgation of chemistry at both national and local levels. A model for broad and effective initiatives for dissemination of chemistry is discussed. The need to keep science divulgation as the top agenda of the scientific community is also highlighted.

A pesquisa em Ensino de Química como área estratégica para o desenvolvimento da Química

This paper presents an overview of the development of chemical education as a research area and some of its contributions to society. Although science education is a relatively recent area of research, it went through an expressive development in the last decades. As in the whole world, in Brazil also such development is attested by the expressive number of scientific societies, specialized journals, and meetings with growing attendance in the areas of science education in general and chemical education in particular. Following are the main contributions of research in science education related to chemistry teaching: adoption of teaching-learning principles in chemistry education; contextualization of chemical knowledge; interdisciplinary approach to chemistry teaching; use of the history of science for the definition of contents and for the design of curricula and teaching tools; development of specific disciplines for the initial and in-service training of chemistry teachers; publication of innovative chemistry textbooks by university-based research groups; elaboration of official guidelines for high-school level; and evaluation of chemistry textbooks to be distributed to high-school students by the Brazilian government. In spite of a positive impact of such initiatives, science education in Brazil still faces many problems, as indicated by poor results in international evaluations (such as the Program for International Student Assessment). However, changes in such a scenario depend less on the research in chemical education than on the much-needed governmental initiatives aiming at the improvement of both attractiveness of teaching career and structural conditions of public schools. In conclusion, new government investments in education are necessary for continuing the development of chemistry; moreover, scientific societies and decision makers in educational policies should take into consideration the contributions originated from the chemical education research area.

Explorando produtos naturais microbianos nas fronteiras da Química e da Biologia

The chemistry of natural products has been remarkably growing in the past few decades in Brazil. Aspects related to the isolation and identification of new natural products, as well as their biological activities, have been achieved in different laboratories working on this subject in the country. More recently, the introduction of new molecular biology tools has strongly influenced the research on natural products, mainly those produced by microorganisms, creating new possibilities to assess the chemical diversity of secondary metabolites. This paper describes some ideas on how the research on natural products can have a considerable input from molecular biology in the generation of chemical diversity. We also explore the role of microbial natural products in mediating interspecific interactions and their relevance to ecological studies. Examples of the generation of chemical diversity are highlighted by using genome mining, mutasynthesis, combinatorial biosynthesis, metagenomics, and synthetic biology, while some aspects of microbial ecology are also discussed. The idea to bring up this topic is linked to the remarkable development of molecular biology techniques to generate useful chemicals from different organisms. Here, we focus mainly on microorganisms, even though similar approaches have also been applied to the study of plants and other organisms. Investigations in the frontier of chemistry and biology require interactions between different areas, characterizing the interdisciplinarity of this research field. The necessity of a real integration of chemistry and biology is pivotal to finding correct answers to a number of biological phenomena. The use of molecular biology tools to generate chemical diversity and control biosynthetic pathways is largely explored in the production of important biologically active compounds. Finally, we briefly comment on the Brazilian organization of research in this area, the necessity of new strategies for the graduation programs, and the establishment of networks as a way of organization to overcome some of the problems faced in the area of natural products.

Catálise assimétrica no Brasil: desenvolvimento e potencialidades para o avanço da indústria química brasileira

The preparation of enantiomerically pure or enriched substances is of fundamental importance to pharmaceutical, food, agrochemical, and cosmetics industries and involves a growing market of hundreds of billions of dollars. However, most chemical processes used for their production are not environmentally friendly because in most cases, stoichiometric amounts of chiral inductors are used and substantial waste is produced. In this context, asymmetric catalysis has emerged as an efficient tool for the synthesis of enantiomerically enriched compounds using chiral catalysts. More specifically, considering the current scenario in the Brazilian chemical industry, especially that of pharmaceuticals, the immediate prospect for the use of synthetic routes developed in Brazil in an enantioselective fashion or even the discovery of new drugs is practically null. Currently, the industrial production of drugs in Brazil is primarily focused on the production of generic drugs and is basically supported by imports of intermediates from China and India. In order to change this panorama and move forward toward the gradual incorporation of genuinely Brazilian synthetic routes, strong incentive policies, especially those related to continuous funding, will be needed. These incentives could be a breakthrough once we establish several research groups working in the area of organic synthesis and on the development and application of chiral organocatalysts and ligands in asymmetric catalysis, thus contributing to boost the development of the Brazilian chemical industry. Considering these circumstances, Brazil can benefit from this opportunity because we have a wide biodiversity and a large pool of natural resources that can be used as starting materials for the production of new chiral catalysts and are creating competence in asymmetric catalysis and related areas. This may decisively contribute to the growth of chemistry in our country.

Estudo da qualidade da gasolina tipo A e sua composição química empregando análise de componentes principais

The type A gasoline samples were analyzed by gas chromatography with flame ionization detector (GC-FID) which allowed quantifying and classifying of the various compounds into different classes of hydrocarbons. Several physicochemical parameters were evaluated according to the official methods in order to compare the results obtained against the limits established by the Agência Nacional de Petróleo, Gás Natural e Biocombustíveis (ANP, 2011). Additionally, principal component analysis (PCA) was applied to discriminate the samples studied, which revealed the separation of four groups according to their chemical composition determined in samples collected from the eight fuel distributors in the State of Pará.

Um reator fotoquímico barato e eficiente para experimentos de química

In this work, we present an efficient and inexpensive device for undergraduate chemistry classes aimed at teaching and learning the photolytic synthesis concepts. A photochemical reactor was tested for the synthesis of the organometallic compound enneacarbonyldiiron from iron pentacarbonyl in acetic acid, and its formation evidenced by FTIR analysis. Although similar devices have been described in other studies, none of these offered the simplicity, low cost, class-compatible reaction times and good yields afforded by the procedure reported herein.

A teoria de pearson para a disciplina de química orgânica: um exercício prático e teórico aplicado em sala de aula

We report a didactic experience in teaching Pearson's theory (HSAB) to graduate students in organic chemistry. This approach was based on teaching students how to use computer programs to calculate frontier orbitals (HOMO-LUMO). The suggested level of calculation was a semi-empiric PM3, proving to be efficient for obtaining robust and fast numerical results that can be performed easily in the classroom. We described a practical computational exercise and asked students to compare these numerical data with qualitative analysis using valence bond theory. A comprehensive solution of this exercise is presented, aiming to support teachers in their lessons.

Síntese de cristais líquidos derivados do nitroazobenzeno: uma proposta de síntese multi-etapas aplicada às aulas de química orgânica experimental

We describe a synthetic route consisting of five steps from aniline to obtain liquid crystal compounds derived from nitroazobenzene. Syntheses were performed during the second half of the semester in organic chemistry laboratory classes. Students characterized the liquid crystal phase by the standard melting point techniques, differential scanning calorimetry and polarized optical microscopy. These experiments allow undergraduate students to explore fundamentally important reactions in Organic Chemistry, as well as modern concepts in Chemistry such as self-assembly and self-organization, nanostructured materials and molecular electronics.

Conversão química de no e co sobre catalisadores à base de óxidos de cobalto ou de ferro

Cobalt or iron oxides supported or not on zeolite Hbeta were prepared and evaluated in the reduction reaction of NO by CO in presence of O2, SO2 or H2O. XRD results evidenced the Hbeta structure and the formation of Co3O4 and Fe2O3. TPR-H2 analysis showed complete reduction of cobalt oxide at lower temperatures than for iron oxide. The catalysts are quite active and the activity depends on the reaction temperature. The highest conversions rates were observed for pure iron oxide, which can be a relatively low cost catalyst for reduction of NO by CO, with high selectivity towards the N2 formation.

Aplicação da radiação ultravioleta como forma de contribuição para a química verde e construção de um reator fotoquímico alternativo e de baixo custo, para pré-tratamento de amostras

Ultraviolet radiation corresponds to a fraction of electromagnetic radiation, covering wavelengths between 1 and 400 nm. Methods based on UV irradiation have become popular because it is possible to treat samples simply by applying energy, avoiding procedures that require the use of toxic substances, thus contributing to the development of Green Chemistry. This study aimed to assess the main applications of UV radiation reported in the literature and thoroughly described the construction of an alternative and low-cost photochemical reactor to be used for the pretreatment of samples in the laboratory. The use of this new photochemical reactor in the clean-up of milk samples for spectrofluorimetric measurements was also reported.

Mapas conceptuales como herramienta pedagógica en la enseñanza de la química orgánica

Organic Chemistry is a branch of Chemistry involving the study of the carbon atom, its compounds and reactions. Numerous investigations carried out in the field of teaching and learning processes indicate that knowledge of a conceptual and explanatory type is not conveyed in a conventional manner, but rather each individual is constructed. Therefore, the proposal for this study was devised to help students achieve significant sustainable learning in the area of reactivity in organic chemistry, using the Concept Maps described by Novak (1998) as a teaching tool.