Design, Synthesis and Bioassays of 3-substituted-3-hydroxyoxindoles for cholinesterase inhibition

Based on the positive bioassay results of the known oxindole hit compound rac-1-benzyl-3-hydroxy-3-phenylindolin-2-one which showed significant inhibition of butyrylcholinesterase (BuChE) (IC50=7.41 μM), a library of 31 analogues of 3-substituted-3-hydroxyoxindoles was synthesized and screened for both acetylcholinesterase (AChE) and BuChE activity. Our bioassays revealed that some of the new compounds exhibited moderate inhibition of eel AChE (EeAChE) and very good inhibition of equine serum BuChE (EqBuChE) with a best IC50 of 1.02 μM. On the basis of these results, the lead compound 1-((1-benzylpiperidin-4-yl)methyl)-3-hydroxy-3-phenylindolin-2-one was designed, which was shown to interact well with the enzymes active sites by molecular docking, was synthesized and upon bioassay gave an IC50 of 6.61 μM for BuChE. Interestingly, when we separated rac-benzyl-3-hydroxy-3-phenylindolin-2-one into the individual enantiomers (R)- and (S)-benzyl-3-hydroxy-3-phenylindolin-2-one it was the latter enantiomer that gave the best IC50 of 6.19 μM for BuChE.

Relatório da prática de ensino supervisionada na Escola Secundária Gabriel Pereira, agrupamento de escolas n,º 4 de Évora EB 2,3 conde de Vilalva e EB1 Jardim de Infância do Bacelo

Este relatório está inserido no âmbito da disciplina Prática de Ensino Supervisionada (PES), que permitirá a obtenção do grau de Mestre em Ensino de Educação Física nos Ensinos Básico e Secundário. O relatório de estágio aborda o trabalho desenvolvido realizado durante o ano lectivo 2009/201O, como professor estagiário, na Escola EB 2,3 Conde de Vilalva, na Escola Secundária Gabriel Pereira e na Escola Básica 1-Jardim de Infância do Bacelo. No final do estágio foi possível afirmar que o que aprendemos ao longo deste ano lectivo nos acompanhará para o resto da vida profissional e social, uma vez que este estágio curricular veio complementar a formação adquirida durante a Licenciatura, auxiliando na incrementação das competências técnico­ científicas, sociais e pessoais, indispensáveis a esta actividade profissional. ABSTRACT: This report is inserted in the supervised teaching subject, as known as Prática de Ensino Supervisionada (PES), which purpose is to obtain Master's degree in Physical Education in primary and secondary education. The stage report deals with all the work developed during 2009/201O school year, as a student teacher, in Escola EB 2,3 Conde de Vilalva, Escola Secundária Gabriel Pereira and in Escola Básica 1-Jardim de Infância do Bacelo. At the end of the stage, it was possible to state that what we have learned past this year will be useful and will be with us for the rest of our professional and social life due the formation acquired during graduation, improving technical, scientific, social and personal skills that are vital and indispensable to this professional activity.

Relatório da prática de ensino supervisionada realizado no agrupamento de escolas n.º 4 de Évora - EB 2,3 Conde de Vilalva e Escola Secundária André de Gouveia em ensino de educação física nos ensinos básico e secundário

A Prática de Ensino Supervisionada desenvolveu-se no Agrupamento de Escolas nº 4 de Évora- EB 2,3 Conde Vilalva e na Escola Secundária André de Gouveia, com as turmas do 8º ano e 12° ano respectivamente. Para elucidar o trabalho realizado ao longo do ano desenvolvi o presente relatório onde abordei a preparação cientifica, pedagógica e didáctica que permitiu um conhecimento dos alunos e do currículo; a Planificação e condução das aulas e respectiva avaliação que faz referencia ao planeamento por etapas e às vantagens do mesmo e ainda à forma como foram leccionadas as aulas; uma análise da prática de ensino; a participação na escola e as actividades desenvolvidas nas mesmas; e o desenvolvimento profissional com referências ás competências que o professor deve assumir dentro da comunidade escolar. Com os parâmetros acima referidos demonstra-se a grande importância que o estágio teve na aquisição das competências essenciais inerentes à docência. ABSTRACT: Supervised Teaching Practice was developed in School Cluster nº 4 of Évora­ Elementary School Conde Vilalva and in Secondary School André de Gouveia, with classes of 8th and 12th grade, respectively. To elucidate the work I done over this school year, I developed this report which discussed the scientific, educational and teaching preparation, allowing an understanding of students and the curriculum; the planning and conduct of lessons and their assessment that refers to the planning stages, and to advantage of it and, on the other hand, the way that were taught lessons; an analysis of teaching practice; participation in school and activities carried therein; and professional development with reference to the competences that the teacher should take within the school community. With the above parameters is shown the importance of this stage in the acquisition of essential skills related to teaching.

Relatório da prática de ensino supervisionada na Escola Secundária Gabriel Pereira, agrupamento de escolas n,º 4 de Évora EB 2,3 conde de Vilalva e EB1 Jardim de Infância do Bacelo

Este trabalho tem por base o relato de um ano lectivo 2009/201O de Prática de Ensino Supervisionada (PES) para a especialidade do grau de Mestre em Ensino de Educação Física nos Ensinos Básico e Secundário, leccionado na Universidade de Évora e contribui para a avaliação do mesmo. O estágio foi realizado no agrupamento de Escolas n° 4 de Évora - EB 2,3 Conde de Vilalva; EB1 Jardim de Infância e Escola Secundária Gabriel Pereira, abrangendo os três ciclos de aprendizagem dando assim cumprimento à exigência curricular. Relata de forma sucinta a preparação científica, pedagógica e didáctica desde o conhecimento do currículo, do conteúdo e dos alunos. Desenvolve de forma fundamentada a planificação, condução de aulas e avaliação das aprendizagens. Faz uma análise das actividades desenvolvidas como professor de uma disciplina e como participante activo na escola e na comunidade escolar. Tenta fundamentar as estratégias, metodologias e decisões tomadas. Por último, realiza uma análise da prática de ensino. O que foi constatado nesta pequena experiência foi uma prática mais consciente e um respeito maior, por nós mesmo, enquanto profissional da educação, e pelos alunos, enquanto sujeitos activos no processo de ensino/aprendizagem. ABSTRACT: This work is based on the report of an academic year 2009/2010 Supervised Teaching Practice (PES) for the specialty Master's degree in Teaching Physical Education in Primary and Secondary Schools, taught at the University of Évora and contribute to the evaluation the same. The group stage was held at school n8 4 EB 2,3 Conde Vilalva e Kindergarten and Secondary school Gabriel Pereira, covering the three cycles of learning thus fulfilling the curricular requirement. Reports briefly the scientific training and didactic knowledge from the curriculum the content and pupils. Develop and informed opinion to planning, conducting classes and learning assessment. Makes and analyses of the activities as a teacher of a discipline and as an active participant in school and school community. Try the strategies, methodologies and decisions. Finally makes an analysis of teaching practice. What was found on this little experiment was a more conscious practice and a greater respect for ourselves as professional education, and students as active participants in the teaching /learning.

Relatório da prática de ensino supervisionada no Agrupamento de Escolas n.º 4 de Évora - EB 2,3 Conde de Vilalva e Escola Secundária Gabriel

A presente dissertação é uma sinopse do trabalho desenvolvido no âmbito do estágio de Prática de Ensino Supervisionada em Educação Física. O estágio decorreu em duas escolas dos Ensinos Básico e Secundário. A dissertação encontra-se dividida por partes: preparação e planificação de aulas, conhecimento das turmas, condução das aulas, avaliação e processo reflexivo das várias etapas. Foram desenvolvidas actividades para as comunidades escolares de ambas as escolas e foi feita uma reflexão final do estágio que teve como objectivo analisar todos os procedimentos que foram desenvolvidos ao longo do ano lectivo. A passagem pelos quatro ciclos de ensino foi bastante produtiva para o enriquecimento do processo enquanto professor. As aulas seguiram o planeamento anual que estava delineado e foi esta ferramenta que possibilitou a existência de uma grande autonomia dos alunos, um maior controlo na prática pedagógica e a presença sistemática do jogo, trazendo uma motivação e empenhamento suplementar nas aulas e nas actividades desenvolvidas. ABSTRACT: The following dissertation is a synopsis of what was done at the scope of Supervised Practices for Physical Education beginning teachers. The traineeship took place in two schools from Primary to Secondary levels. The dissertation is divided into several parts: preparation and lessons planning, students' profile, lessons, evaluation and reflexive process on the different stages. lt was developed activities for the communities of the booth schools and was made a final reflection of the traineeship stage that have as a propose analyze all the procedures that was developed in all the academic year. The passage for the four cycles of school was very productive for the enrichment as a professor. The classes were follow as was expected and was that possibilities the existence of a great autonomy of the students, a bigger contrail in the pedagogy practice and systematic presence of the game that bring a motivation and supplementary interest in the classes and activities developed.

Relatório da prática de ensino supervisionada realizado no Agrupamento de Escolas nº 4 de Évora - EB 2,3 Conde de Vilalva e Escola Secundária André de Gouveia, em ensino de educação física nos ensinos básico e secundário

O presente relatório surge como um complemento à minha Prática de Ensino Supervisionada, realizada no ano lectivo de 2009/201O, visando essencialmente a reflexão e documentação do trabalho por mim desenvolvido ao longo deste ano. A minha Prática de Ensino Supervisionada debruçou-se sobre a disciplina de Educação Física, e decorreu na Escola EB 2,3 Conde de Vilalva, onde leccionei a disciplina a uma turma de 8° ano, e na Escola Secundária André de Gouveia, tendo leccionado a disciplina a um 12° ano. Durante este mesmo ano lectivo, leccionei ainda entre 8 intervenções a uma turma do 1° Ciclo de Ensino Básico, 1° ano; e 9 intervenções a uma turma do 2° Ciclo de Ensino Básico, o 5° ano. ABSTRACT: This document comes as a complement to my Supervised Teaching Practice, held in the 2009/201O academic year, aiming primarily to reflection and documentation of the work developed throughout this year. My Supervised Teaching Practice was focused on the discipline of Physical Education, and held at EB 2,3 Conde de Vilalva where I taught a class in 8th grade, and in high school André de Gouveia, where I taught the discipline to a class in 12th grade. During that same academic year, I taught between 8 and 1O interventions with a class of 1st cycle of education, 1st grade, and with a class of 2nd cycle of education, a 5th grade.

Dussertite BaFe3+3(AsO4)2(OH)5 : a Raman spectroscopic study of a hydroxy-arsenate mineral

The mineral dussertite, a hydroxy-arsenate mineral of formula BaFe3+3(AsO4)2(OH)5, has been studied by Raman complimented with infrared spectroscopy. The spectra of three minerals from different origins were investigated and proved quite similar, although some minor differences were observed. In the Raman spectra of Czech dussertite, four bands are observed in the 800 to 950 cm-1 region. The bands are assigned as follows: the band at 902 cm-1 is assigned to the (AsO4)3- ν3 antisymmetric stretching mode, at 870 cm-1 to the (AsO4)3- ν1 symmetric stretching mode, and both at 859 cm-1 and 825 cm-1 to the As-OM2+/3+ stretching modes/and or hydroxyls bending modes. Raman bands at 372 and 409 cm-1 are attributed to the ν2 (AsO4)3- bending mode and the two bands at 429 and 474 cm-1 are assigned to the ν4 (AsO4)3- bending mode. An intense band at 3446 cm-1 in the infrared spectrum and a complex set of bands centred upon 3453 cm-1 in the Raman spectrum are attributed to the stretching vibrations of the hydrogen bonded (OH)- units and/or water units in the mineral structure. The broad infrared band at 3223 cm-1 is assigned to the vibrations of hydrogen bonded water molecules. Raman spectroscopy identified Raman bands attributable to (AsO4)3- and (AsO3OH)2- units.

1,1,3,3-Tetraethylisoindolin-2-ium chloride

In the structure of the title compound C16H26N+ Cl-, the salt of a precursor in the synthesis of an isoindolin-2-yloxyl free-radical trapping agent, the cations and anions form discrete centrosymetric cyclic dimers through N---H...Cl hydrogen-bonding associations [graph set R2/4(8)].

Chemistry, Raman and infrared spectroscopic characterization of the phosphate mineral reddingite: (MnFe)3(PO4)2(H2O,OH)3, a mineral found in lithium-bearing pegmatite

Detailed investigation of an intermediate member of the reddingite–phosphoferrite series, using infrared and Raman spectroscopy, scanning electron microcopy and electron microprobe analysis, has been carried out on a homogeneous sample from a lithium-bearing pegmatite named Cigana mine, near Conselheiro Pena, Minas Gerais, Brazil. The determined formula is (Mn1.60Fe1.21Ca0.01Mg0.01)∑2.83(PO4)2.12⋅(H2O2.85F0.01)∑2.86 indicating predominance in the reddingite member. Raman spectroscopy coupled with infrared spectroscopy supports the concept of phosphate, hydrogen phosphate and dihydrogen phosphate units in the structure of reddingite-phosphoferrite. Infrared and Raman bands attributed to water and hydroxyl stretching modes are identified. Vibrational spectroscopy adds useful information to the molecular structure of reddingite–phosphoferrite.

Vibrational spectroscopic characterization of the phosphate mineral ludlamite (Fe,Mn,Mg)3(PO4)2⋅4H2O – a mineral found in lithium bearing pegmatites

The objective of this work is to analyze ludlamite (Fe,Mn,Mg)3(PO4)2⋅4H2O from Boa Vista mine, Galiléia, Brazil and to assess the molecular structure of the mineral. The phosphate mineral ludlamite has been characterized by EMP-WDS, Raman and infrared spectroscopic measurements. The mineral is shown to be a ferrous phosphate with some minor substitution of Mg and Mn. Raman bands at 917 and 950 cm−1 are assigned to the symmetric stretching mode of and units. Raman bands at 548, 564, 599 and 634 cm−1 are assigned to the ν4 bending modes. Raman bands at 2605, 2730, 2896 and 3190 cm−1 and infrared bands at 2623, 2838, 3136 and 3185 cm−1 are attributed to water stretching vibrations. By using a Libowitzky empirical function, hydrogen bond distances are calculated from the OH stretching wavenumbers. Strong hydrogen bonds in the structure of ludlamite are observed as determined by their hydrogen bond distances. The application of infrared and Raman spectroscopy to the study of ludlamite enables the molecular structure of the pegmatite mineral ludlamite to be assessed.

A vibrational spectroscopic study of the phosphate mineral cyrilovite Na(Fe3+)3(PO4)2(OH)4·2(H2O) and in comparison with wardite

Vibrational spectroscopy enables subtle details of the molecular structure of cyrilovite to be determined. Single crystals of a pure phase from a Brazilian pegmatite were used. Cyrilovite is the Fe3+ member of the wardite group. The infrared and Raman spectroscopy were applied to compare the structure of cyrilovite with that of wardite. The Raman spectrum of cyrilovite in the 800–1400 cm−1 spectral range shows two intense bands at 992 and 1055 cm−1 assigned to the ν1View the MathML source symmetric stretching vibrations. A series of low intensity bands at 1105, 1136, 1177 and 1184 cm−1 are assigned to the ν3View the MathML source antisymmetric stretching modes. The infrared spectrum of cyrilovite in the 500–1300 cm−1 shows much greater complexity than the Raman spectrum. Strong infrared bands are found at 970 and 1007 cm−1 and are attributed to the ν1View the MathML source symmetric stretching mode. Raman bands are observed at 612 and 631 cm−1 and are assigned to the ν4 out of plane bending modes of the View the MathML source unit. In the 2600–3800 cm−1 spectral range, intense Raman bands for cyrilovite are found at 3328 and 3452 cm−1 with a broad shoulder at 3194 cm−1 and are assigned to OH stretching vibrations. Sharp infrared bands are observed at 3485 and 3538 cm−1. Raman spectroscopy complimented with infrared spectroscopy has enabled the structure of cyrilovite to be ascertained and compared with that of wardite.

Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid : ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate

The structures of two ammonium salts of 3-carboxy-4-hydroxybenzenesulfonic acid (5-sulfosalicylic acid, 5-SSA) have been determined at 200 K. In the 1:1 hydrated salt, ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate, NH4+·C7H5O6S-·H2O, (I), the 5-SSA- monoanions give two types of head-to-tail laterally linked cyclic hydrogen-bonding associations, both with graph-set R44(20). The first involves both carboxylic acid O-HOwater and water O-HOsulfonate hydrogen bonds at one end, and ammonium N-HOsulfonate and N-HOcarboxy hydrogen bonds at the other. The second association is centrosymmetric, with end linkages through water O-HOsulfonate hydrogen bonds. These conjoined units form stacks down c and are extended into a three-dimensional framework structure through N-HO and water O-HO hydrogen bonds to sulfonate O-atom acceptors. Anhydrous triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate, 3NH4+·C7H4O6S2-·C7H5O6S-, (II), is unusual, having both dianionic 5-SSA2- and monoanionic 5-SSA- species. These are linked by a carboxylic acid O-HO hydrogen bond and, together with the three ammonium cations (two on general sites and the third comprising two independent half-cations lying on crystallographic twofold rotation axes), give a pseudo-centrosymmetric asymmetric unit. Cation-anion hydrogen bonding within this layered unit involves a cyclic R33(8) association which, together with extensive peripheral N-HO hydrogen bonding involving both sulfonate and carboxy/carboxylate acceptors, gives a three-dimensional framework structure. This work further demonstrates the utility of the 5-SSA- monoanion for the generation of stable hydrogen-bonded crystalline materials, and provides the structure of a dianionic 5-SSA2- species of which there are only a few examples in the crystallographic literature.

Fragmentation pathways of 2,3-dimethyl-2,3-dinitrobutane cations in the gas phase

2,3-Dimethyl-2,3-dinitrobutane (DMNB) is an explosive taggant added to plastic explosives during manufacture making them more susceptible to vapour-phase detection systems. In this study, the formation and detection of gas-phase \[M+H](+), \[M+Li](+), \[M+NH(4)](+) and \[M+Na](+) adducts of DMNB was achieved using electrospray ionisation on a triple quadrupole mass spectrometer. The \[M+H](+) ion abundance was found to have a strong dependence on ion source temperature, decreasing markedly at source temperatures above 50 degrees C. In contrast, the \[M+Na](+) ion demonstrated increasing ion abundance at source temperatures up to 105 degrees C. The relative susceptibility of DMNB adduct ions toward dissociation was investigated by collision-induced dissociation. Probable structures of product ions and mechanisms for unimolecular dissociation have been inferred based on fragmentation patterns from tandem mass (MS/MS) spectra of source-formed ions of normal and isotopically labelled DMNB, and quantum chemical calculations. Both thermal and collisional activation studies suggest that the \[M+Na](+) adduct ions are significantly more stable toward dissociation than their protonated analogues and, as a consequence, the former provide attractive targets for detection by contemporary rapid screening methods such as desorption electrospray ionisation mass spectrometry. Copyright (C) 2009 Commonwealth of Australia. Published by John Wiley & Sons, Ltd.