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.

A Importância da determinação analítica de intermediários reativos e de seus produtos de reações com biomacromoléculas: uma mini revisão

Metabolic reactive intermediates can react with biomolecules such as DNA and proteins to produce adducts. Recently, research has shown that such adducts can act as precursors of some chronic diseases (cancer, Parkinson's, immunologic system diseases, etc.), and their determination is important because they are biomarkers of undesirable health effects. These compounds are produced at very low concentrations, but the development and dissemination of sensitive new analytical tools, especially those based on chromatography coupled to other analytical instruments, make such determinations possible. This mini review is focused on the formation of reactive intermediates, their reaction with biomolecules, and the importance of their determination.

Software para simulação de mecanismo de supressão da luminescência: modelo cinético de Stern-Volmer

A software that includes both Stochastic and Molecular Dynamics procedures has been developed with the aim of visualizing the Stern-Volmer kinetic mechanism of dynamic luminescence quenching. The software allows the student to easily simulate and graphically visualize the molecular collisions, the molecular speed distributions, the luminescence decay curves, and the Stern-Volmer graphs. The software named "SternVolmer" is written for the FreeBASIC compiler and can be applied to dynamic systems where luminescent molecules, during their excited state lifetimes, are able to collide with quenching molecules (collisional quenching). The good agreement found between the simulations and the expected results shows that this software can be used as an effective teaching aid for the study of luminescence and kinetic decay of excited states.

Ressonância: desenvolvimento, utilização e avaliação de um software educacional

Resonance is a useful concept that shows how electrons are shared between two or more atoms and allows a prediction of the chemical reactivity and relative stability of reagents, intermediates, and products. An educational software that enables interactive exploration of the concepts related to resonance and thereby facilitates its understanding was developed. The software was field-tested, and an evaluation questionnaire concerning the software as an educational tool was answered by the students and professors involved in the test. The results led to the conclusion that the developed computer application can be characterized as an auxiliary tool that assists teachers in their lectures and students in their learning process.

Análise dos produtos de degradação do esfenvalerato por SBSE/CLAE-UV/DAD utilizando planejamento fatorial fracionário

A simple procedure based on stir bar sorptive extraction and high-performance liquid chromatography-ultraviolet/photodiode array detection (SBSE/LC-UV/PAD) to determine intermediates and by-products of esfenvalerate is described. The influence of organic modifier, ionic strength, extraction time, temperature and pH were simultaneously evaluated by using a factorial experimental design. The utilization of different organic solvents and desorption times were also investigated to establish the optimal conditions for SBSE liquid desorption. Among the ten different peaks (intermediates and by-products) detected after degradation of esfenvalerate, eight (including 3-phenoxybenzoic acid and 3-phenoxybenzaldehyde) were successfully extracted by SBSE under the optimized conditions.

Determinação da atividade antitríptica em proteínas de produtos do amendoim isoladas por cromatografia de afinidade

The peanut is an oleaginous plant of high nutritional value, a source of protein and a trypsin inhibitor. Trypsin inhibitors are proteins present in the vegetable kingdom, considered anti-nutritional factors for animals. However, there have been several recent reports about their heterologous and beneficial effects on human health. These important effects have been the focus of studies investigating these inhibitors in foods. The aim of the present study was to isolate and determine the estimated molecular mass and specific inhibitory activity, for trypsin in the Japanese peanut, peanut butter, and peanut nougat using the techniques of precipitation with ammonium sulfate and affinity chromatography on trypsin - Sepharose CNBr 4B. The techniques used in this study were efficient for isolating the protein inhibitors with antitryptic specific activity of 694 UI mg-1, 823 UI mg-1 and 108 UI mg-1 for the Japanese peanut, peanut nougat, and peanut butter, respectively. The techniques featured high selectivity of the adsorbent, with consequent efficiency in isolation, given the low amount of dosed proteins and specific antitryptic activity presented by the products studied. The various health-related benefits show the importance of detecting and isolating efficient trypsin inhibitors in foods, taking into account the health claims attributed to the vegetable and its high consumption by humans.

CHEMOSTAT, UM SOFTWARE GRATUITO PARA ANÁLISE EXPLORATÓRIA DE DADOS MULTIVARIADOS

The objective of this work was to develop a free access exploratory data analysis software application for academic use that is easy to install and can be handled without user-level programming due to extensive use of chemometrics and its association with applications that require purchased licenses or routines. The developed software, called Chemostat, employs Hierarchical Cluster Analysis (HCA), Principal Component Analysis (PCA), intervals Principal Component Analysis (iPCA), as well as correction methods, data transformation and outlier detection. The data can be imported from the clipboard, text files, ASCII or FT-IR Perkin-Elmer “.sp” files. It generates a variety of charts and tables that allow the analysis of results that can be exported in several formats. The main features of the software were tested using midinfrared and near-infrared spectra in vegetable oils and digital images obtained from different types of commercial diesel. In order to validate the software results, the same sets of data were analyzed using Matlab© and the results in both applications matched in various combinations. In addition to the desktop version, the reuse of algorithms allowed an online version to be provided that offers a unique experience on the web. Both applications are available in English.

Improving and User Interface to E-Procurement Software Used in Asset Accounting and Investigating Effects to Efficiency

This diploma thesis has been done to international organization which takes care from the accounting actions of two major companies. In this organization are used three different purchasing tools which are used when new asset master data is wanted to input to SAP R/3- system. The aim of this thesis is to find out how much changing the user interface of one of these three e-procurement programs will affect to overall efficiency in asset accounting. As an addition will be introduced project framework which can be used in future projects and which help to avoid certain steps in the development process. At the moment data needs to be inputted manually with many useless mouse clicks and data needs to be searched from many various resources which slow down the process. Other organization has better tools at the moment than the myOrders system which is under investigation Research was started by exploring the main improvement areas. After this possible defects were traced. Suggested improvements were thought by exploring literature which has been written from usability design and research. Meanwhile also directional calculations from the benefits of the project were done alongside with the analysis of the possible risks and threats. After this NSN IT approved the changes which they thought was acceptable. The next step was to program them into tool and test them before releasing to production environment. The calculations were made also from implemented improvements and compared them to planned ones From whole project was made a framework which can be utilized also to other similar projects. The complete calculation was not possible because of time schedule of the project. Important observation in the project was that efficiency is not improved not only by changing the GUI but also improving processes without any programming. Feedback from end user should be also listened more in development process. End-user is after all the one who knows the best how the program should look like.

Eclosão e mortalidade de Meloidogyne exigua em extratos e em produtos naturais

A eclosão e mortalidade de juvenis de segundo estádio (J2) de Meloidogyne exigua foram avaliadas em extratos aquosos de urucum-colorau (Bixa orellana), cravo-da-índia (Syzygium aromaticum), canela (Cinnamomum zeylanicum), pimenta-do-reino (Piper nigrum), gengibre (Zingiber officinale), salsa (Petroselium crispum), soro de leite, solução nutritiva hidropônica, solução aquosa de cloreto de sódio (NaCl) e açúcar (sacarose), fermento biológico e probiótico (Controlmix®). O soro de leite e os extratos de canela, fermento biológico e cloreto de sódio causaram 100% de mortalidade (P<0,05) após 24 h do contato dos J2 com os extratos. Mortalidade acima de 50% também ocorreu nos extratos de cravo-da-índia e no probiótico. Os demais materiais testados foram estatisticamente iguais à água (P<0,05). A eclosão foi avaliada durante 16 dias de imersão dos ovos de M. exigua nos extratos. Comparando os valores da área abaixo da curva de progresso da eclosão, observou-se que, exceto o açúcar e a solução hidropônica, todos os extratos e produtos testados inibiram a eclosão (P<0,01) dos J2 de M. exigua. Entre todos os extratos e produtos testados, maior inibição (P<0,01) da eclosão ocorreu no soro de leite, probiótico, canelaecravo-da-índia, destacando-se o soro de leite e o extrato de canela que assim como inibiram a eclosão também foram altamente tóxicos aos juvenis.

Avaliação de produtos alternativos para controle da requeima do tomateiro

Em condições de campo, avaliaram-se produtos alternativos no manejo da requeima do tomateiro (Lycopersicon esculentum), causada por Phytophthora infestans, em três experimentos (E). Compararam-se, em E1, extratos de: [pimenta (Capsicum chinense) + pimenta-do-reino (Piper nigrum) + cravo (Syzygium aromaticum) + açafrão-da-índia (Curcuma longa) + alho (Allium sativum)]; (pimenta-do-reino + cravo + alho); e (cravo + açafrão-da-índia + alho); em E2, óleo de nim (Azadirachta indica) (0,5%); leite (20%); e calda bordalesa; e em E3, preparado homeopático obtido de tecido de tomateiro com requeima (dinamização C30); mistura água-etanol; e calda bordalesa. Em E1, os extratos e a testemunha não diferiram quanto à severidade na metade da epidemia (Y50), severidade final (Ymáx), área abaixo da curva de progresso (AACPD) e taxa de progresso da doença (r). Em E2, Y50 com óleo de nim (3%) e calda bordalesa (1%) não diferiram; Ymáx foi maior com óleo de nim (44%) que com calda bordalesa (14%); leite não reduziu Ymáx; r e AACPD foram menores com óleo de nim (0,161 e 533, respectivamente) que na testemunha (0,211 e 1186, respectivamente) e semelhantes àqueles com calda bordalesa (0,156 e 130, respectivamente); r e AACPD foram similares nos tratamentos leite e testemunha. Em E3, Y50, Ymáx, AACPD e r com a mistura água-etanol e preparado homeopático foram similares aos da testemunha. A calda bordalesa foi o tratamento mais eficiente no controle da requeima, e o óleo de nim foi promissor. No manejo da doença em sistemas alternativos de produção, é necessário integrar práticas, para se potencializarem os efeitos individualizados.

Avaliação de produtos alternativos no controle da ferrugem do cafeeiro

Objetivou-se neste trabalho avaliar produtos orgânicos quanto ao efeito protetor e indutor de resistência à ferrugem do cafeeiro (Hemileia vastatrix), comparando-se com fungicidas sistêmicos. O trabalho foi desenvolvido em casa-de-vegetação, utilizando-se mudas de cafeeiro cv. Catuaí Vermelho 144. Foram avalidados como indutores de resistência extratos foliares, suspensões de conídios fúngicos e de células bacterianas, fertilizantes foliares, hipocloritos e acibenzolar-S-methyl (ASM). O delineamento experimental utilizado foi em blocos casualizados com três repetições, sendo que cada parcela experimental foi constituída de cinco mudas de café perfazendo um total de 15 mudas por tratamento. Os experimentos foram repetidos duas vezes com resultados semelhantes. Quando avaliado o efeito protetor, a maioria dos compostos reduziu o número de pústulas e a área foliar com ferrugem em comparação à testemunha 1 (água). Extratos de folhas de café, obtidos pelo processo aquoso e extratos de sementes de Azadirachta indica ('neem") obtidos pelo processo de extração com metanol apresentaram proteção similar, mas nunca superior a epoxiconazole + piraclostrobin. Extratos aquosos de folhas de café, ASM, Bacillus subtilis e Pseudomonas putida reduziram a infecção causada por H. vastatrix em mais de 77 %.

Evaluating the success of software development projects in Russia, Ukraine, and Belarus

The size and complexity of projects in the software development are growing very fast. At the same time, the proportion of successful projects is still quite low according to the previous research. Although almost every project's team knows main areas of responsibility which would help to finish project on time and on budget, this knowledge is rarely used in practice. So it is important to evaluate the success of existing software development projects and to suggest a method for evaluating success chances which can be used in the software development projects. The main aim of this study is to evaluate the success of projects in the selected geographical region (Russia-Ukraine-Belarus). The second aim is to compare existing models of success prediction and to determine their strengths and weaknesses. Research was done as an empirical study. A survey with structured forms and theme-based interviews were used as the data collection methods. The information gathering was done in two stages. At the first stage, project manager or someone with similar responsibilities answered the questions over Internet. At the second stage, the participant was interviewed; his or her answers were discussed and refined. It made possible to get accurate information about each project and to avoid errors. It was found out that there are many problems in the software development projects. These problems are widely known and were discussed in literature many times. The research showed that most of the projects have problems with schedule, requirements, architecture, quality, and budget. Comparison of two models of success prediction presented that The Standish Group overestimates problems in project. At the same time, McConnell's model can help to identify problems in time and avoid troubles in future. A framework for evaluating success chances in distributed projects was suggested. The framework is similar to The Standish Group model but it was customized for distributed projects.

A Survey and Classification of Software Testing Tools

Software testing is one of the essential parts in software engineering process. The objective of the study was to describe software testing tools and the corresponding use. The thesis contains examples of software testing tools usage. The study was conducted as a literature study, with focus on current software testing practices and quality assurance standards. In the paper a tool classifier was employed, and testing tools presented in study were classified according to it. We found that it is difficult to distinguish current available tools by certain testing activities as many of them contain functionality that exceeds scopes of a single testing type.