A MASS-SPECTROMETRIC STUDY OF ORGANIC PHOSPHORUS-COMPOUNDS .5. EI SPECTRA OF 1, 3, 2-OXAZAPHOSPHOLIDINE 2-SULFIDES DERIVATES

The mass spectral behaviour of 15 new type of organic phosphorus compounds with a considerable insecticidal activity, 1, 3,2-oxazaphospholidine 2-sulfides derivatives, under 70 eV electron impact has been studied by means of high and low resolution mass spectrometry as well as by B/E linked scan and MIKES/CID analysis. Discussion is focused into the isomerization between oxygen and sulphur in molecules and some rearrangement reactions.

Computational analysis of quinoxalines N,N-Dioxide and ITS Derivates

A quinoxalina e seus derivativos são uma importante classe de compostos heterocíclicos, onde os elementos N, S e O substituem átomos de carbono no anel. A fórmula molecular da quinoxalina é C8H6N2, formada por dois anéis aromáticos, benzeno e pirazina. É rara em estado natural, mas a sua síntese é de fácil execução. Modificações na estrutura da quinoxalina proporcionam uma grande variedade de compostos e actividades, tais como actividades antimicrobiana, antiparasitária, antidiabética, antiproliferativa, anti-inflamatória, anticancerígena, antiglaucoma, antidepressiva apresentando antagonismo do receptor AMPA. Estes compostos também são importantes no campo industrial devido, por exemplo, ao seu poder na inibição da corrosão do metal. A química computacional, ramo natural da química teórica é um método bem desenvolvido, utilizado para representar estruturas moleculares, simulando o seu comportamento com as equações da física quântica e clássica. Existe no mercado uma grande variedade de ferramentas informaticas utilizadas na química computacional, que permitem o cálculo de energias, geometrias, frequências vibracionais, estados de transição, vias de reação, estados excitados e uma variedade de propriedades baseadas em várias funções de onda não correlacionadas e correlacionadas. Nesta medida, a sua aplicação ao estudo das quinoxalinas é importante para a determinação das suas características químicas, permitindo uma análise mais completa, em menos tempo, e com menos custos.

Meteorological data, stem radius measurements (SR) and derivates of SR of the three Swiss forest sites Visp, Davos and Lägeren

. Separating continuously measured stem radius (SR) fluctuations into growth-induced irreversible stem expansion (GRO) and tree water deficit-induced reversible stem shrinkage (TWD) requires a concept to decide on potential growth processes during periods of shrinking and expanding SR below a precedent maximum. Here we investigated two physiological concepts: the linear growth (LG) concept assuming linear growth vs. the zero growth (ZG) concept assuming no growth during periods of shrunken stems. . We evaluated the physiological mechanisms underlying these two concepts and assessed the respective plausibility with SR data obtained from 15 deciduous and evergreen trees. . The LG concept showed steady growth rates, whereas the ZG concept showed strongly varying growth rates over time, more in accordance with mechanistic expectations. Further, growth increased for maximally 120 min after periods of shrunken stems, indicating limited growth activity during that period. However, the fraction of this extra growth was found to be small. Furthermore, TWD of the ZG concept was better explained by a hydraulic plant model than TWD of the LG concept. . We conclude that periods of shrunken stems allow for very little growth in the four tree species investigated. However, further studies should focus on obtaining independent growth data to ultimately validate these findings.

Tensile properties of graphene nanotube hybrid structures : a molecular dynamics study

Graphene has been reported with record-breaking properties which have opened up huge potential applications. A considerable research has been devoted to manipulate or modify the properties of graphene to target a more smart nanoscale device. Graphene and carbon nanotube hybrid structure (GNHS) is one of the promising graphene derivates, while their mechanical properties have been rarely discussed in literature. Therefore, such a studied is conducted in this paper basing on the large-scale molecular dynamics simulation. The target GNHS is constructed by considering two separate graphene layers that being connected by single-wall carbon nanotubes (SWCNTs) according to the experimental observations. It is found that the GNHSs exhibit a much lower yield strength, Young’s modulus, and earlier yielding comparing with a bilayer graphene sheet. Fracture of studied GNHSs is found to fracture located at the connecting region between carbon nanotubes (CNTs) and graphene. After failure, monatomic chains are normally observed at the front of the failure region, and the two graphene layers at the failure region without connecting CNTs will adhere to each other, generating a bilayer graphene sheet scheme (with a layer distance about 3.4 Å). This study will enrich the current understanding of the mechanical performance of GNHS, which will guide the design of GNHS and shed lights on its various applications.

Tuneable resonance properties of graphene by nitrogen-dopant

Doping as one of the popular methods to manipulate the properties of nanomaterials has received extensive application in deriving different types of graphene derivates, while the understanding of the resonance properties of dopant graphene is still lacking in literature. Based on the large-scale molecular dynamics simulation, reactive empirical bond order potential, as well as the tersoff potential, the resonance properties of N-doped graphene were studied. The studied samples were established according to previous experiments with the N atom’s percentage ranging from 0.43%-2.98%, including three types of N dopant locations, i.e., graphitic N, pyrrolic N and pyridinic N. It is found that different percentages of N-dopant exert different influence to the resonance properties of the graphene, while the amount of N-dopant is not the only factor that determines its impact. For all the considered cases, a relative large percentage of N-dopant (2.98% graphitic N-dopant) is observed to introduce significant influence to the profile of the external energy, and thus lead to an extremely low Q-factor comparing with that of the pristine graphene. The most striking finding is that, the natural frequency of the defective graphene with N-dopant appears uniformly larger than that of the pristine defective graphene. While for the perfect graphene, the N-dopant shows less influence to its natural frequency. This study will enrich the current understanding of the influence of dopants on graphene, which will eventually shed lights on the design of different molecules-doped graphene sheet.

Vanhurskautta, oikeutta vai uskollisuutta? : ṣdq -sanue vuoden 1992 Kirkkoraamatun Psalmien kirjassa

Righteousness, justice or faithfulness? The Hebrew Root ṣdq in the Psalter of the Finnish Church Bible of 1992 This study attempts to answer three questions. Firstly, what do the derivates of the root ṣdq mean in the Hebrew Psalter? Secondly, with which equivalents are these Hebrew words translated in the Psalter of the Finnish Church Bible of 1992 and why? And thirdly, how is the translation of the root ṣdq in the Psalter placed in comparison with the translations of the root ṣdq in certain ancient and modern Bible translations? The root ṣdq has a very wide semantic field in Biblical Hebrew. The basic meaning of the root ṣdq is ‘right’ or ‘to be in the right’. The traditional English equivalent of the root ṣdq is righteousness. In many European languages the equivalent of the root ṣdq has some connection with the word ‘right’, but this is not the case in Finnish. The Finnish word vanhurskaus has been present since the first Finnish Bible translation by Mikael Agricola in 1548. However, this word has nothing to do with the Finnish word for ‘right’. The word vanhurskaus has become a very specific religious and theological word in Finnish, and it can be a word that is not obvious or at all understandable even to a native Finnish speaker. In the Psalter of the earlier Finnish Church Bible of 1938 almost every derivate of the root ṣdq (132/139) was translated as vanhurskaus. In the Psalter of the Finnish Church Bible of 1992 less than half of these derivates (67/139) are translated as that. Translators have used 20 different equivalents of the Hebrew derivates of the root ṣdq. But this type of translation also has its own problems. The most disputed is the fact that in it the Bible reader finds no connections between many Bible verses that have obvious connections with each other in the Hebrew Bible. For example, in verse Ps. 118, 15 one finds a Finnish word for ‘saved’ and in verse Ps. 142, 8 one finds another Finnish word for ‘friends’, while in the Hebrew Bible the same word is used in both verses, ṣaddîqīm. My study will prove that it is very challenging to compare or fit together the semantics of these two quite different languages. The theoretical framework for the study consists of biblical semantic theories and Bible translation theories. Keywords: religious language, Bible translations, Book of Psalms.

Solubility and physical stability improvement of natiral xanthine derivatives

Use of natural xanthine derivates in medicine is complicated with their physical properties. Theobromine is poorly soluble while theophylline is highly sensitive to hydration. The aim of this study was to improve bioavailability of xanthines by co-crystallization, theophylline was also cocrystallized with carboxylic acids (capric, citric, glutaric, malenic, malonic, oxalic, stearic, succinic) and HPMC. Co-crystallization was performed by slow evaporation and ball milling. Physical stability was checked by wet granulation and water sorption methods, solubility was measured by intrinsic tablet dissolution. Theobromine formed co-crystal with other xanthines and theophylline interacted with all acids except stearic and HPMC, the latter showed alternative interactions based on hydrogen bonding. Hydration resistance was good in theophylline:succinic acid co-crystal and excellent in complexes containing capric, stearic acids and HPMC. Theophylline:HPMC showed improved solubility. The reported approach can promote use of xanthines and can be recommended for other compounds with similar problems.

Síntese e caracterização de biodiesel obtido via catálises homogênea e heterogênea de óleo extraído de sementes de Helianthus annuus

O biodiesel é definido como um mono alquil éster de ácidos graxos de cadeia longa derivado de fontes renováveis tais como óleos vegetais e gorduras animais. Sua importância esta associada ao uso como um combustível alternativo para motores do ciclo Diesel podendo ser utilizado puro ou em misturas com o diesel representando economia de petróleo e menor poluição ambiental. Em geral é obtido por meio da reação de transesterificação na qual os triacilgliceróis, principais constituintes dos óleos e gorduras reagem com álcool, em presença de um catalisador ácido ou básico, produzindo ésteres de ácidos graxos e glicerol. A transesterificação pode ser conduzida por catálise homogênea ou heterogênea. O grande desafio da indústria é otimizar o processo a fim de alcançar um produto e uma rota de produção tecnologicamente eficiente e ambientalmente correta. O objetivo desta pesquisa foi estudar a síntese do biodiesel utilizando o processo de transesterificação do óleo de girassol por catálises homogênea e heterogênea. Foram realizadas reações de transesterificação via rotas metílica e etílica, empregando como catalisador homogêneo alcóxido de potássio e como catalisador heterogêneo a resina comercial de troca iônica Amberlyst 26

Influence of synthetic method on the properties of La0.5Ba0.5FeO3 SOFC cathode

Power Point presentado en The Energy and Materials Research Conference - EMR2015 celebrado en Madrid (España) entre el 25-27 de febrero de 2015

As conceituações de meio ambiente praticadas pelo corpo técnico do Instituto Brasileiro de Meio Ambiente (IBAMA) na formação de sua cultura organizacional.

O Instituto Brasileiro de Meio Ambiente (IBAMA), executor da Política Nacional de Meio Ambiente tem sido objeto de constante avaliação por diferentes segmentos da sociedade brasileira. Este estudo visa subsidiar a construção de perspectivas analíticas sobre a efetividade de suas ações, a partir de uma análise sobre a composição de sua cultura organizacional. A hipótese foi formulada no sentido de que a existência de concepções diferenciadas para o termo meio ambiente entre os trabalhadores do Instituto possui relação com o processo de constituição da cultura organizacional do IBAMA. Essa perspectiva se deu pela vivência da pesquisadora no campo ambiental, em especial, por ter pertencido ao mesmo corpo funcional do Instituto. Essa mesma condição possibilitou acrescer na historiografia do IBAMA aspectos referentes à influência da conceituação teórica para o termo ambiente na cultura organizacional do Instituto. A pesquisa foi orientada pelos fundamentos teóricos de autores que investigam a cultura, o poder e o comportamento de organizações, como TAVARES (1991), SCHERMERHORN, HUNT & OSBORNO (2001), FLEURY ( 2009) e, BERTERO (2009). Adotou como estratégias metodológicas as técnicas de observação, de questionários e de entrevistas seguindo as orientações de GOODE E HATT (1973), GIL (1994) e LAKATOS (2003) para a identificação das relações entre conceituação de ambiente por parte de trabalhadores do IBAMA. Na perspectiva do conceito de seres históricos de CASTORIADIS (1982) foram analisados registros de falas de outros atores sociais que escreveram a história da gestão ambiental pública brasileira. A tese apresenta a coexistência de duas conceituações ativas para o termo meio ambiente derivadas do processo de ambientalização do IBAMA.

吡唑啉衍生物有机电致发光器件中激基复合物的发射

以两种吡唑啉衍生物为空穴传输材料(HTM)和BBOT为电子传输材料组成双层器件，获得了相对于组成材料的荧光光谱红移和宽化的电致发光．双层器件和HTM：BBOT等摩尔混蒸薄膜的光致发光及电致发光测量表明，该谱带来自HTM／BBOT界面激基复合物的发射，根据器件的能级图，激基复合物的类型为BBOT的激发态BBOT^