An accelerated method of developing DBT projects using CDIO partner institutions as parallel processors

The cycle of the academic year impacts on efforts to refine and improve major group design-build-test (DBT) projects since the time to run and evaluate projects is generally a full calendar year. By definition these major projects have a high degree of complexity since they act as the vehicle for the application of a range of technical knowledge and skills. There is also often an extensive list of desired learning outcomes which extends to include professional skills and attributes such as communication and team working. It is contended that student project definition and operation, like any other designed product, requires a number of iterations to achieve optimisation. The problem however is that if this cycle takes four or more years then by the time a project’s operational structure is fine tuned it is quite possible that the project theme is no longer relevant. The majority of the students will also inevitably experience a sub-optimal project experience over the 5 year development period. It would be much better if the ratio were flipped so that in 1 year an optimised project definition could be achieved which had sufficient longevity that it could run in the same efficient manner for 4 further years. An increased number of parallel investigators would also enable more varied and adventurous project concepts to be examined than a single institution could undertake alone in the same time frame.
This work-in-progress paper describes a parallel processing methodology for the accelerated definition of new student DBT project concepts. This methodology has been devised and implemented by a number of CDIO partner institutions in the UK & Ireland region. An agreed project theme was operated in parallel in one academic year with the objective of replacing a multi-year iterative cycle. Additionally the close collaboration and peer learning derived from the interaction between the coordinating academics facilitated the development of faculty teaching skills in line with CDIO standard 10.

Necesidades educativas para el autocuidado de pacientes con DBT Mellitus tipo 2 que asisten el Hospital Dr. Eugenio Collado de la localidad de Unión, San Luis

La diabetes es un trastorno que por su naturaleza crónica, acompaña a su portador a lo largo de toda la vida; es por esto que el paciente diabético requiere de una amplia gama de información que le permita tomar las riendas de su propio tratamiento, para así controlar en gran manera su futura evolución clínica. El presente estudio tiene como objetivos: determinar el conocimiento que tienen sobre su enfermedad los pacientes con diabetes tipo 2; identificar el conocimiento que tienen los pacientes con respecto a su tratamiento y evaluar el conocimiento que tienen los pacientes en relación a su autocuidado.

Cross-correlations between weather variables in Australia

The information on climate variations is essential for the research of many subjects, such as the performance of buildings and agricultural production. However, recorded meteorological data are often incomplete. There may be a limited number of locations recorded, while the number of recorded climatic variables and the time intervals can also be inadequate. Therefore, the hourly data of key weather parameters as required by many building simulation programmes are typically not readily available. To overcome this gap in measured information, several empirical methods and weather data generators have been developed. They generally employ statistical analysis techniques to model the variations of individual climatic variables, while the possible interactions between different weather parameters are largely ignored. Based on a statistical analysis of 10 years historical hourly climatic data over all capital cities in Australia, this paper reports on the finding of strong correlations between several specific weather variables. It is found that there are strong linear correlations between the hourly variations of global solar irradiation (GSI) and dry bulb temperature (DBT), and between the hourly variations of DBT and relative humidity (RH). With an increase in GSI, DBT would generally increase, while the RH tends to decrease. However, no such a clear correlation can be found between the DBT and atmospheric pressure (P), and between the DBT and wind speed. These findings will be useful for the research and practice in building performance simulation.

Cognitive behavior therapy and dialectical behavior therapy for treating obese emotional eaters

This study describes the treatment of obese individuals who rated high on emotional eating using four case studies that involved 22 sessions of either cognitive behavioral therapy (CBT) or dialectical behavioral therapy (DBT). Outcomes measures relating to weight, body mass index, emotional eating, depression, anxiety, and stress were all assessed with each participant prior to each baseline (three weekly sessions), during treatment and posttherapy. At the 8-week follow-up, the two cases that had received DBT had lost 10.1% and 7.6% of their initial body weight, whereas the two cases that had received CBT had lost 0.7% and 0.6% of their initial body weight. The two DBT cases also exhibited reductions in emotional distress, frequency of emotional eating or quantity of food eating in response to emotions, whereas the two CBT cases showed no overall reductions in these areas. Important processes from all four cases are described as are the implications to clinicians for developing more effective interventions for obese clients who engage in emotional eating.

3,6-Di(furan-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione and bithiophene copolymer with rather disordered chain orientation showing high mobility in organic thin film transistors

Pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione or diketopyrrolopyrrole (DPP) is a useful electron-withdrawing fused aromatic moiety for the preparation of donor-acceptor polymers as active semiconductors for organic electronics. This study uses a DPP-furan-containing building block, 3,6-di(furan-2-yl)pyrrolo[3,4- c]pyrrole-1,4(2H,5H)-dione (DBF), to couple with a 2,2′-bithiophene unit, forming a new donor-acceptor copolymer, PDBFBT. Compared to its structural analogue, 3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (DBT), DBF is found to cause blue shifts of the absorption spectra both in solution and in thin films and a slight reduction of the highest occupied molecular orbital (HOMO) energy level of the resulting PDBFBT. Despite the fact that its thin films are less crystalline and have a rather disordered chain orientation in the crystalline domains, PDBFBT shows very high hole mobility up to 1.54 cm 2 V-1 s-1 in bottom-gate, top-contact organic thin film transistors.

Hydrogen and fluorine in crystal engineering: systematics from crystallographic studies of hydrogen bonded tartrate-amine complexes and fluoro-substituted coumarins, styrylcoumarins and butadienes

Three aspects of crystal engineering in molecular crystals are presented to emphasize the role of intermolecular interactions and factors influencing crystal packing. Hydrogen bonded tartrate-amine complexes have been analyzed with the propensity for formation of multidirectional hydrogen bonding as a key design element in the generation of materials for second harmonic generation (SHG). The invariance of the framework in DBT and its possible implications on SHG is outlined. The role of Fluorine in orienting molecules of coumarins, styrylcoumarins and butadienes for photodimerization is described with particular emphasis on its steering capability. Usage of coumarin as an design element for the generation of polymorphs of substituted styrylcoumarins is examined with specific examples.

On factors influencing the ductile-to-brittle transition in a bulk metallic glass

An experimental study to ascertain the ductile-to-brittle transition (DBT) in a bulk metallic glass (BMG) was conducted. Results of the impact toughness tests conducted at various temperatures on as-cast and structurally relaxed Zr-based BMG show a sharp DBT. The DBT temperature was found to be sensitive to the free-volume content in the alloy. Possible factors that result in the DBT were critically examined. It was found that the postulate of a critical free volume required for the amorphous alloy to exhibit good toughness cannot rationalize the experimental trends. Likewise, the Poisson's ratio-toughness correlations, which suggest a critical Poisson's ratio above which all glasses are tough, were found not to hold good. Viscoplasticity theories, developed using the concept of shear transformation zones and which describe the temperature and strain rate dependence of the crack-tip plasticity in BMGs, appear to be capable of capturing the essence of the experiments. Our results highlight the need for a more generalized theory to understand the origins of toughness in BMGs.

Hydrogen-bond-directed self-assembly of D-(+)-dibenzoyltartaric acid and 4-aminopyridine: optical nonlinearities and stoichiometry-dependent novel structural features

Attempts to prepare hydrogen-bond-directed nonlinear optical materials from a 1:1 molar mixture Of D-(+)-dibenzoyltartaric acid (DBT, I) and 4-aminopyridine (4-AP, II) resulted in two salts of different stoichiometry. One of them crystallizes in an unusual 1.5:1 (acid:base) monohydrate salt form III while the other one crystallizes as 1:1 (acid:base) salt IV. Crystal structures of both of the salts were determined from single-crystal X-ray diffraction data. The salt III crystallizes in a monoclinic space group C2 with a = 30.339(l), b = 7.881(2), c = 14.355(1) angstrom, beta = 97.48(1)degrees, V = 3403.1(9) angstrom3, Z = 4, R(w) = 0.058, R(w)= 0.058. The salt IV also crystallizes in a monoclinic space group P2(1) with a = 7.500(1), b = 14.968(2), c = 10.370(1) angstrom, beta = 102.67(1)degrees, V = 1135.9(2) angstrom3, Z = 2, R = 0.043, R(w) = 0.043. Interestingly, two DBT molecules with distinctly different conformation are present in the same crystal lattice of salt III. Extensive hydrogen-bonding interactions are found in both of the salts, and both of them show SHG intensity 1.4-1.6 times that of urea.

Dendrimer building toolkit: Model building and characterization of various dendrimer architectures

We have developed a graphical user interface based dendrimer builder toolkit (DBT) which can be used to generate the dendrimer configuration of desired generation for various dendrimer architectures. The validation of structures generated by this tool was carried out by studying the structural properties of two well known classes of dendrimers: ethylenediamine cored poly(amidoamine) (PAMAM) dendrimer, diaminobutyl cored poly(propylene imine) (PPI) dendrimer. Using full atomistic molecular dynamics (MD) simulation we have calculated the radius of gyration, shape tensor and monomer density distribution for PAMAM and PPI dendrimer at neutral and high pH. A good agreement between the available simulation and experimental (small angle X-ray and neutron scattering; SAXS, SANS) results and calculated radius of gyration was observed. With this validation we have used DBT to build another new class of nitrogen cored poly(propyl ether imine) dendrimer and study it's structural features using all atomistic MD simulation. DBT is a versatile tool and can be easily used to generate other dendrimer structures with different chemistry and topology. The use of general amber force field to describe the intra-molecular interactions allows us to integrate this tool easily with the widely used molecular dynamics software AMBER. This makes our tool a very useful utility which can help to facilitate the study of dendrimer interaction with nucleic acids, protein and lipid bilayer for various biological applications. © 2012 Wiley Periodicals, Inc.

Dendrimer building toolkit: Model building and characterization of various dendrimer architectures

We have developed a graphical user interface based dendrimer builder toolkit (DBT) which can be used to generate the dendrimer configuration of desired generation for various dendrimer architectures. The validation of structures generated by this tool was carried out by studying the structural properties of two well known classes of dendrimers: ethylenediamine cored poly(amidoamine) (PAMAM) dendrimer, diaminobutyl cored poly(propylene imine) (PPI) dendrimer. Using full atomistic molecular dynamics (MD) simulation we have calculated the radius of gyration, shape tensor and monomer density distribution for PAMAM and PPI dendrimer at neutral and high pH. A good agreement between the available simulation and experimental (small angle X-ray and neutron scattering; SAXS, SANS) results and calculated radius of gyration was observed. With this validation we have used DBT to build another new class of nitrogen cored poly(propyl ether imine) dendrimer and study it's structural features using all atomistic MD simulation. DBT is a versatile tool and can be easily used to generate other dendrimer structures with different chemistry and topology. The use of general amber force field to describe the intra-molecular interactions allows us to integrate this tool easily with the widely used molecular dynamics software AMBER. This makes our tool a very useful utility which can help to facilitate the study of dendrimer interaction with nucleic acids, protein and lipid bilayer for various biological applications. (c) 2012 Wiley Periodicals, Inc.

Orientation, Size, and Temperature Dependent Ductile Brittle Transition in NiAl Nanowire under Tensile Loading - A Molecular Dynamics Study

In the present paper, thermo-mechanical response of B2-NiAl nanowire along the < 100 >, < 110 >, and < 111 > orientations has been studied using molecular dynamics simulations. Nanowire with cross-sectional dimensions of similar to 20x20 angstrom(2), similar to 25x25 angstrom(2), and similar to 30x30 angstrom(2) and temperature range of 10 K-900 K has been considered. A Combined effect of size, orientation, and temperature on the stress-strain behavior under uniaxial tensile loading has been presented. It has been observed that < 111 > oriented NiAl nanowire that is energetically most stable gives highest yield stress which further reduces with < 110 > and < 100 > orientations. A remarkable ductile brittle transition (DBT) with an increase in temperature has also been reported for all the orientations considered in the present study. The DBT observed for the nanowire has also been compared with the reported DBT of bulk B2-NiAl obtained from experiments. Alternate technique has also been proposed to increase the toughness of a given material especially at lower temperature regions, i.e. below DBT.

Avaliação temporal da poluição por antiincrustantes organoestânicos no litoral do Estado do Rio de Janeiro: antes e após o banimento nacional e internacional

Tintas antifoulings são utilizadas para evitar a incrustação de organismos em estruturas submersas, especialmente casco de embarcações. Os compostos organoestânicos (OTs), utilizados nessas tintas, entre eles o tributilestanho, são desreguladores endócrinos e causaram diversos danos aos ecossistemas marinhos. No caso dos moluscos gastrópodes, esse tipo de poluição faz com que as fêmeas adquiram características masculinas, como vaso deferente e pênis, fenômeno esse conhecido como imposex. A Organização Marítima Internacional (IMO) estabeleceu o banimento de tintas à base de COEs nas embarcações, em 2008. No Brasil, a NORMAM 23, proibiu o uso em 2007, contudo a Marinha já havia suspendido seu uso desde 2003. Entretanto, efeitos deletérios destes compostos ainda são detectados em vários países, inclusive ao longo do litoral brasileiro. Esse trabalho teve como objetivo principal fazer uma avaliação temporal (1997-2012) da poluição por organestânicos na costa do Estado do Rio de Janeiro utilizando como bioindicador a espécie Stramonita haemastoma. A área de estudo abrangeu cinco regiões: Paraty, Ilha Grande, Baia de Ilha Grande, Baia de Guanabara e Arraial do Cabo. Análises químicas de butilestânicos foram feitas em sedimentos superficiais de mangues de Paraty (Mangue do Estaleiro e mangue do Saco do Mamanguá) e Ilha Grande (Mangue do Aventureiro) sendo os dois últimos considerados áreas de referência. Em cada estação de biomonitoramento foram coletados 30 indivíduos sexualmente adultos da espécie S. haemastoma, através de mergulho livre em apnéia e analisados através do método não destrutivo proposto por nosso grupo de pesquisa. Em todas as cinco áreas analisadas ao longo da costa do Estado do Rio de Janeiro foram registradas estações com altos índices de imposex. Apesar de muitas estações apresentarem diminuição nos índices, na maioria ocorreu um aumento ou conservação alta na porcentagem de imposex depois do banimento. As concentrações médias de butilestânicos no mangue (S1), perto de fontes locais, foram 205,7 16,8 ng (Sn) g-1 de TBT, 16,4 1,3 ng (Sn) g-1 de DBT e 10,0 2,9 ng (Sn) g-1 de MBT. Nas áreas de referência: mangue do Saco do Mamanguá (S2) foram 16,0 0,8 ng (Sn) g-1 de TBT, 10,1 1,4 ng (Sn) g-1 de DBT e 10,1 2,2 ng (Sn) g-1 de MBT e mangue do Aventureiro (S3) com 18,1 4,2 ng (Sn) g-1 de TBT, 15,3 0,5 ng (Sn) g-1 de DBT e 10,2 1,5 ng (Sn). g-1 de MBT. As taxas de degradação foram de 01, 1,3 e 1,4 respectivamente indicando inputs recentes desses compostos. Os resultados deste estudo indicam que carbono orgânico dissolvido e particulado, bem como xenoestrógenos podem estar interferindo no desenvolvimento da síndrome, levando a subestimação de avaliação do imposex. As concentrações de butilestânicos, além do aumento ou continuidade alta na incidência de imposex após o banimento na maioria das estações indicam que, apesar da proibição do uso do TBT em tintas antiiincrustantes no Brasil, elas ainda estão sendo utilizadas de forma ilegal, especialmente em pequenos barcos. Esse estudo é fundamental para se propor medidas de mitigação e controle dos compostos organoestânicos, até mesmo dos novos antifoulings TBT- free, que também possuem efeitos prejudiciais ao ambiente. Além disso, as áreas onde se registrou altos índices de imposex serão essenciais para o monitoramento dos efeitos desses novos antifoulings.

Dessulfurização oxidativa do dibenzotiofeno catalisada por V2O5 suportado

A necessidade de redução da emissão de poluentes, visando diminuir os sérios problemas de poluição atmosférica enfrentados atualmente, é hoje uma das principais preocupações mundiais, provocando o surgimento de leis mais rígidas, que restringem o teor de enxofre na gasolina e no diesel. Assim, o desenvolvimento de tecnologias mais eficazes na remoção de enxofre nestes combustíveis tem recebido atenção crescente. Estas tecnologias incluem a extração física com solvente, a adsorção seletiva, processos de redução/oxidação microbiológicos e a dessulfurização oxidativa (ODS). A dessulfurização oxidativa converte os compostos de enxofre em sulfonas que podem ser facilmente separadas por processos físicos. Portanto, a ODS apresenta grande potencial para tornar-se um processo complementar a processo de hidrodessulfurização tradicional na produção de combustíveis altamente dessulfurizados. Neste contexto, este trabalho visou o estudo do desempenho de catalisadores de V2O5 suportados em alumina, sílica e sílica-alumina frente à reação de ODS do dibenzotiofeno em presença do peróxido de hidrogênio, como oxidante, e da acetonitrila, como solvente polar aprótico. Os catalisadores foram preparados por impregnação ao ponto úmido e caracterizados por difração de raios-X (DRX), análise textural, redução à temperatura programada (TPR-H2), dessorção de amônia à temperatura programa (TPD-NH3) e espectroscopia Raman. O efeito de parâmetros reacionais como quantidade de solvente, relação O/S e concentração de catalisador foram investigados, utilizando a alumina como suporte, visando estabelecer as condições reacionais que levassem a maiores valores de conversão do dibenzotiofeno (DBT). Uma vez estabelecidas estas condições, foi analisado o efeito do teor de V2O5 presente no catalisador e, posteriormente, o efeito do suporte catalítico. Os resultados obtidos mostraram a 70 C razão molar H2O2/Sde 16,6, razão carga/solvente igual a 1:1 e 100 mg do catalisador 15 % V2O5/SiO2, a conversão obtida foi de 95%