Syntheses, characterization and crystal structures of a new functionalised TTF derivative and its Ni(II) complex

The new ligand 4,5-bis (2-pyridylmethylsulfanyl)-4',5'-bis(cyanoethylthio)tetrathiafulvalene (BPM-BCET-TTF) and its nickel(II) complex have been prepared and crystallographically characterized. The Ni(II) complex shows octahedral geometry around the metal ion with the coordination site occupied by the pyridyl nitrogen atoms, the thioether sulfur atoms of the ligand and cis coordination of the halide ions.

Hydrogen-bonding complexes of functionalized BEDT-TTF derivatives with chloranilic acid

The two crystalline donor-acceptor complexes showing hydrogen-bondings between bis(ethylenedithio) tetrathiofulvalene (BEDT-TTF) derivatives containing pyridine and pyrazine groups and 2,5-dichloro-3,6-dihydroxyl-1,4-benzoquinone (chloranilic acid) were prepared. X-ray structure analyses revealed that functional groups play an important role in constructing the unique crystal structures.

Facile Synthesis of Novel Functionalized Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) Derivatives

An improved and efficient synthetic route to four functionalized bis(ethylenedithio)-tetrathiafulvalene (BEDT-TTF) derivatives 2−5 is reported. Tetrathiolate 1 was readily prepared from 2,2‘-bis(1,3,4,6-tetrathiapentalen-5-one) under carefully controlled conditions. Subsequent reaction of 1 with selected primary alkyl halides affords new functionalized BEDT-TTF derivatives in good yields.

Molecular coevolution of mammalian ribosomal gene terminator sequences and the transcription termination factor TTF-I.

Both the DNA elements and the nuclear factors that direct termination of ribosomal gene transcription exhibit species-specific differences. Even between mammals--e.g., human and mouse--the termination signals are not identical and the respective transcription termination factors (TTFs) which bind to the terminator sequence are not fully interchangeable. To elucidate the molecular basis for this species-specificity, we have cloned TTF-I from human and mouse cells and compared their structural and functional properties. Recombinant TTF-I exhibits species-specific DNA binding and terminates transcription both in cell-free transcription assays and in transfection experiments. Chimeric constructs of mouse TTF-I and human TTF-I reveal that the major determinant for species-specific DNA binding resides within the C terminus of TTF-I. Replacing 31 C-terminal amino acids of mouse TTF-I with the homologous human sequences relaxes the DNA-binding specificity and, as a consequence, allows the chimeric factor to bind the human terminator sequence and to specifically stop rDNA transcription.

First-principle density-functional calculation of the Raman spectra of BEDT-TTF

We present a first-principles density-functional calculation for the Raman spectra of a neutral BEDT-TTF molecule. Our results are in excellent agreement with experimental results. We show that a planar Structure is not a stable state of a neutral BEDT-TTF molecule. We consider three possible conformations and discuss their relation to disorder in these systems.

The origin of the difference in the superconducting critical temperatures of the beta(H) and beta(L) phases of (BEDT-TTF)(2)I-3

Incommensurate lattice fluctuations are present in the beta(L) phase (T-c similar to 1.5 K) of ET2I3 (where ET is BEDT-TTF - bis(ethylenedithio)tetrathiafulvalene) but are absent in the beta(H) phase (T-c similar to 7 K). We propose that the disorder in the conformational degrees of freedom of the terminal ethylene groups of the ET molecules, which is required to stabilise the lattice fluctuations, increases the quasiparticle scattering rate and that this leads to the observed difference in the Superconducting critical temperatures, T-c, of the two phases. We calculate the dependence of T-c on the interlayer residual resistivity. Our theory has no free parameters. Our predictions are shown to be consistent with experiment. We describe experiments to conclusively test our hypothesis.

Refining the diagnosis and EGFR status of non-small cell lung carcinoma in biopsy and cytologic material, using a panel of mucin staining, TTF-1, cytokeratin 5/6, and P63, and EGFR mutation analysis.

INTRODUCTION: The dichotomization of non-small cell carcinoma (NSCLC) subtype into squamous (SQCC) and adenocarcinoma (ADC) has become important in recent years and is increasingly required with regard to management. The aim of this study was to determine the utility of a panel of commercially available antibodies in refining the diagnosis on small biopsies and also to determine whether cytologic material is suitable for somatic EGFR genotyping in a prospectively analyzed series of patients undergoing investigation for suspected lung cancer. METHODS: Thirty-two consecutive cases of NSCLC were first tested using a panel comprising cytokeratin 5/6, P63, thyroid transcription factor-1, 34betaE12, and a D-PAS stain for mucin, to determine their value in refining diagnosis of NSCLC. After this test phase, two further pathologists independently reviewed the cases using a refined panel that excluded 34betaE12 because of its low specificity for SQCC, and refinement of diagnosis and concordance were assessed. Ten cases of ADC, including eight derived from cytologic samples, were sent for EGFR mutation analysis. RESULTS: There was refinement of diagnosis in 65% of cases of NSCLC to either SQCC or ADC in the test phase. This included 10 of 13 cases where cell pellets had been prepared from transbronchial needle aspirates. Validation by two further pathologists with varying expertise in lung pathology confirmed increased refinement and concordance of diagnosis. All samples were adequate for analysis, and they all showed a wild-type EGFR genotype. CONCLUSION: A panel comprising cytokeratin 5/6, P63, thyroid transcription factor-1, and a D-PAS stain for mucin increases diagnostic accuracy and agreement between pathologists when faced with refining a diagnosis of NSCLC to SQCC or ADC. These small samples, even cell pellets derived from transbronchial needle aspirates, seem to be adequate for EGFR mutation analysis.

INOVAÇÃO NA ADMINISTRAÇÃO PÚBLICA: APLICAÇÃO DO MODELO TAM/TTF PARA AVALIAÇÃO DO SISTEMA DE CONTROLE DE AFASTAMENTO NA UFMG.

O governo federal tem realizado esforços e iniciativas a fim de modernizar e melhorar a eficiência da máquina publica. Dentre essas iniciativas está o incentivo do uso de sistemas de informação por meio do programa de governo eletrônico e o mais recente esforço o decreto nº 8.539, que dispõe sobre o uso do meio eletrônico para a realização do processo administrativo no âmbito dos órgãos e das entidades da administração pública federal. Neste sentido de modernização e melhoria foi desenvolvido um sistema de informação que permite controlar todo o processo de afastamento de servidores da Universidade Federal de Minas Gerais (UFMG). Porém de nada adianta investir em sistemas de informação sem o mesmo seja efetivamente utilizado e aceito pelos seus usuários. Este trabalho tem como objetivo analisar o uso do sistema de informação para controle de afastamentos da UFMG, por meio da integração dos modelos TAM e TTF, sob a percepção dos usuários que utilizam o sistema como parte de seu processo de trabalho. A pesquisa é classificada como quantitativa, descritiva e exploratória tendo como método de pesquisa o tipo survey e como população os funcionários dos setores que participam diretamente do processo de afastamento.

FATORES DETERMINANTES DO USO DE SISTEMAS DE INFORMAÇÃO EM SAÚDE: UM ESTUDO INTEGRADO DOS MODELOS TAM E TTF

O Programa de Triagem Neonatal de Minas Gerais (PTN-MG), cuja rede estadual é composta por mais de três mil Unidades Básica de Saúde (UBS), é uma estratégia de diagnóstico precoce do Sistema Único de Saúde (SUS) de extrema importância para a população. Para alinhar o sistema de informação do Programa à essa premissa, este estudo apresenta o seguinte problema: Quais são os fatores determinantes do uso de um sistema de informação do PTN-MG e quais são as relações entre eles? Buscou-se a partir de um estudo no âmbito do SUS em Minas Gerais, com a aplicação de um survey a todas as Unidades Básicas de Saúde do Estado que utilizam o sistema de informação, desenvolver um módulo de sistemas de informação inteligente para toda rede Estadual; avaliar as percepções dos usuários baseando-se na integração dos modelos TAM e TTF (KLOPPING; MCKINNEY, 2004) com variáveis de Índice de Desenvolvimento Humano dos municípios e a capacidade de coleta das UBS; analisar os fatores determinantes do uso do SI e suas respectivas relações. O modelo continha 16 hipóteses, sendo que 06 foram confirmadas a partir de um estudo realizado por modelagem de equações estruturais. Os principais resultados indicaram que a maioria dos usuários concordou que o sistema de informação é útil, fácil de usar e ajustável às suas tarefas. O estudo confirma também que os modelos TAM e TTF se completam, pois apresentam várias relações significativas entre os seus constructos. Outro achado importante, foi a relação inversa encontrada entre o IDHM do município e a percepção de utilidade do modelo TAM. Entende-se que o estudo cumpriu com o objetivo proposto e ainda gera novas expectativas futuras como: aplicação do modelo em outras realidades e a inclusão de outros constructos sociais para verificação de possíveis relações com o modelo TAM/TTF.

A review on reliability models with covariates

Modern Engineering Asset Management (EAM) requires the accurate assessment of current and the prediction of future asset health condition. Suitable mathematical models that are capable of predicting Time-to-Failure (TTF) and the probability of failure in future time are essential. In traditional reliability models, the lifetime of assets is estimated using failure time data. However, in most real-life situations and industry applications, the lifetime of assets is influenced by different risk factors, which are called covariates. The fundamental notion in reliability theory is the failure time of a system and its covariates. These covariates change stochastically and may influence and/or indicate the failure time. Research shows that many statistical models have been developed to estimate the hazard of assets or individuals with covariates. An extensive amount of literature on hazard models with covariates (also termed covariate models), including theory and practical applications, has emerged. This paper is a state-of-the-art review of the existing literature on these covariate models in both the reliability and biomedical fields. One of the major purposes of this expository paper is to synthesise these models from both industrial reliability and biomedical fields and then contextually group them into non-parametric and semi-parametric models. Comments on their merits and limitations are also presented. Another main purpose of this paper is to comprehensively review and summarise the current research on the development of the covariate models so as to facilitate the application of more covariate modelling techniques into prognostics and asset health management.

Teaching teachers for the future : how, what, why, and what next?

This paper contextualises the Teaching Teachers of the Future (TTF) Project and acts as a preamble for the TTF stream of papers at ACEC2012. It discusses the aims and objectives of the project, its genesis in a changing educational and political landscape, the use of TPACK as a theoretical scaffold, and briefly report on the operations of the various components and partners. Further, it will discuss the research opportunities afforded by the project including a national survey of all pre-service teachers in Australia gauging their TPACK confidence and the use of the Most Significant Change (MSC) methodology. Finally the paper will discuss the outcomes of the project and its future.

Teaching teachers for the future : how, what, why, and what next?

This paper contextualises the Teaching Teachers of the Future (TTF) Project and acts as a preamble for the TTF stream of papers at ACEC2012. It discusses the aims and objectives of the project, its genesis in a changing educational and political landscape, the use of TPACK as a theoretical scaffold, and briefly report on the operations of the various components and partners. Further, it will discuss the research opportunities afforded by the project including a national survey of all pre-service teachers in Australia gauging their TPACK confidence and the use of the Most Significant Change (MSC) methodology. Finally the paper will discuss the outcomes of the project and its future.