Crystal structure and statistical coupling analysis of highly glycosylated peroxidase from royal palm tree (Roystonea regia)

Royal palm tree peroxidase (RPTP) is a very stable enzyme in regards to acidity, temperature, H(2)O(2), and organic solvents. Thus, RPTP is a promising candidate for developing H(2)O(2)-sensitive biosensors for diverse applications in industry and analytical chemistry. RPTP belongs to the family of class III secretory plant peroxidases, which include horseradish peroxidase isozyme C, soybean and peanut peroxidases. Here we report the X-ray structure of native RPTP isolated from royal palm tree (Roystonea regia) refined to a resolution of 1.85 angstrom. RPTP has the same overall folding pattern of the plant peroxidase superfamily, and it contains one heme group and two calcium-binding sites in similar locations. The three-dimensional structure of RPTP was solved for a hydroperoxide complex state, and it revealed a bound 2-(N-morpholino) ethanesulfonic acid molecule (MES) positioned at a putative substrate-binding secondary site. Nine N-glycosylation sites are clearly defined in the RPTP electron-density maps, revealing for the first time conformations of the glycan chains of this highly glycosylated enzyme. Furthermore, statistical coupling analysis (SCA) of the plant peroxidase superfamily was performed. This sequence-based method identified a set of evolutionarily conserved sites that mapped to regions surrounding the heme prosthetic group. The SCA matrix also predicted a set of energetically coupled residues that are involved in the maintenance of the structural folding of plant peroxidases. The combination of crystallographic data and SCA analysis provides information about the key structural elements that could contribute to explaining the unique stability of RPTP. (C) 2009 Elsevier Inc. All rights reserved.

Optimization of a method for determination of phenolic acids in exotic fruits by capillary electrophoresis

In this work, the separation of nine phenolic acids (benzoic, caffeic, chlorogenic, p-coumaric, ferulic, gallic, protocatechuic, syringic, and vanillic acid) was approached by a 32 factorial design in electrolytes consisting of sodium tetraborate buffer(STB) in the concentration range of 10-50 mmol L(-1) and methanol in the volume percentage of 5-20%. Derringer`s desirability functions combined globally were tested as response functions. An optimal electrolyte composed by 50 mmol L(-1) tetraborate buffer at pH 9.2, and 7.5% (v/v) methanol allowed baseline resolution of all phenolic acids under investigation in less than 15 min. In order to promote sample clean up, to preconcentrate the phenolic fraction and to release esterified phenolic acids from the fruit matrix, elaborate liquid-liquid extraction procedures followed by alkaline hydrolysis were performed. The proposed methodology was fully validated (linearity from 10.0 to 100 mu g mL(-1), R(2) > 0.999: LOD and LOQ from 1.32 to 3.80 mu g mL(-1) and from 4.01 to 11.5 mu g mL(-1), respectively; intra-day precision better than 2.8% CV for migration time and 5.4% CV for peak area; inter-day precision better than 4.8% CV for migration time and 4.8-11% CV for peak area: recoveries from 81% to 115%) and applied successfully to the evaluation of phenolic contents of abiu-roxo (Chrysophyllum caimito), wild mulberry growing in Brazil (Morus nigra L.) and tree tomato (Cyphomandra betacea). Values in the range of 1.50-47.3 mu g g(-1) were found, with smaller amounts occurring as free phenolic acids. (C) 2009 Elsevier B.V. All rights reserved.

Shared decision-making in mental health care : a user perspective on decisional needs in community-based services

BACKGROUND: Shared decision-making (SDM) is an emergent research topic in the field of mental health care and is considered to be a central component of a recovery-oriented system. Despite the evidence suggesting the benefits of this change in the power relationship between users and practitioners, the method has not been widely implemented in clinical practice. OBJECTIVE: The objective of this study was to investigate decisional and information needs among users with mental illness as a prerequisite for the development of a decision support tool aimed at supporting SDM in community-based mental health services in Sweden. METHODS: Three semi-structured focus group interviews were conducted with 22 adult users with mental illness. The transcribed interviews were analyzed using a directed content analysis. This method was used to develop an in-depth understanding of the decisional process as well as to validate and conceptually extend Elwyn et al.'s model of SDM. RESULTS: The model Elwyn et al. have created for SDM in somatic care fits well for mental health services, both in terms of process and content. However, the results also suggest an extension of the model because decisions related to mental illness are often complex and involve a number of life domains. Issues related to social context and individual recovery point to the need for a preparation phase focused on establishing cooperation and mutual understanding as well as a clear follow-up phase that allows for feedback and adjustments to the decision-making process. CONCLUSIONS AND IMPLICATIONS FOR PRACTICE: The current study contributes to a deeper understanding of decisional and information needs among users of community-based mental health services that may reduce barriers to participation in decision-making. The results also shed light on attitudinal, relationship-based, and cognitive factors that are important to consider in adapting SDM in the mental health system.

Essays on decision sciences: exploring cognition, information processing, and complexity

This thesis provides three original contributions to the field of Decision Sciences. The first contribution explores the field of heuristics and biases. New variations of the Cognitive Reflection Test (CRT--a test to measure "the ability or disposition to resist reporting the response that first comes to mind"), are provided. The original CRT (S. Frederick [2005] Journal of Economic Perspectives, v. 19:4, pp.24-42) has items in which the response is immediate--and erroneous. It is shown that by merely varying the numerical parameters of the problems, large deviations in response are found. Not only the final results are affected by the proposed variations, but so is processing fluency. It seems that numbers' magnitudes serve as a cue to activate system-2 type reasoning. The second contribution explores Managerial Algorithmics Theory (M. Moldoveanu [2009] Strategic Management Journal, v. 30, pp. 737-763); an ambitious research program that states that managers display cognitive choices with a "preference towards solving problems of low computational complexity". An empirical test of this hypothesis is conducted, with results showing that this premise is not supported. A number of problems are designed with the intent of testing the predictions from managerial algorithmics against the predictions of cognitive psychology. The results demonstrate (once again) that framing effects profoundly affect choice, and (an original insight) that managers are unable to distinguish computational complexity problem classes. The third contribution explores a new approach to a computationally complex problem in marketing: the shelf space allocation problem (M-H Yang [2001] European Journal of Operational Research, v. 131, pp.107--118). A new representation for a genetic algorithm is developed, and computational experiments demonstrate its feasibility as a practical solution method. These studies lie at the interface of psychology and economics (with bounded rationality and the heuristics and biases programme), psychology, strategy, and computational complexity, and heuristics for computationally hard problems in management science.

Avaliação de projetos de mineração utilizando a teoria das opções reais em tempo discreto : um estudo de caso em mineração de ferro

Estudo da teoria das opções reais que incorpora à avaliação de projetos de investimentos, as opções de crescimento e as flexibilidades gerenciais que surgem devido às incertezas existentes no ambiente no qual as empresas operam. Aborda os métodos tradicionais de avaliação de investimentos baseados no fluxo de caixa descontado (FCD), destaca as suas vantagens e limitações; a teoria das opções reais mostrando suas vantagens em relação aos métodos tradicionais; e um estudo de caso. Tem como objetivo principal apresentar que a teoria das opções reais é viável e complementar aos métodos tradicionais de avaliação de investimentos na indústria de mineração de ferro, com a abordagem da avaliação em tempo discreto. Este método permite especificar o problema de análise e resolvê-lo com o uso de programa de software de análise de decisão disponível no mercado de forma mais simples e mais intuitivo que os métodos tradicionais de avaliação de opções reais e permite maior flexibilidade na modelagem do problema de avaliação. A modelagem das opções reais do projeto baseia-se no uso de árvore de decisão binomial para modelar o processo estocástico. A avaliação é realizada em quatro passos de acordo com a metodologia proposta por Copeland e Antikarov (2001) e Brandão e Dyer (2005): modelagem do ativo básico, ou seja, cálculo do valor presente líquido sem flexibilidade; criação do modelo binomial utilizando o software computacional para modelar o ativo básico, computando as probabilidades neutras a risco; modelagem das opções reais no projeto; e resolução da árvore binomial, ou seja, análise das opções reais. Os resultados apresentados demonstram que é possível implementar a abordagem da avaliação de opções reais em projetos de investimentos na indústria de mineração de ferro.

How national culture on consumers' decision-making styles: a comparative study among Americans, Brazilians, Chinese, and japanese in the purchase of cell phones.

The influence of the national culture on consumer decision-making styles is investigated using a sample of Americans, Brazilians, Chinese, and Japanese consumers who have purchased a cell phone in the past three years. To make the research possible, a survey was used as a method of data collection. It relates Hofstede’s cultural classification typology with Sproles and Kendall’s consumer style inventory (CSI). The multivariate analysis of variance (MANOVA) results indicate six decision-making styles together with other consumer behavioral characteristics that can be used to distinguish and profile consumers who purchase cell phones. Empirical findings reveal that among Americans, Brazilians, and Japanese; Americans are the most quality conscious, brand conscious, innovative, and hedonistic shoppers; Brazilians are the most loyal, and Japanese, the most confused by overchoice consumers. Conceptual contributions and managerial implications are discussed.

Factors influencing consumer decision in crowdfunding

Crowdfunding é um método recente e emergente de captar dinheiro para desenvolvimento de projetos (tanto orientados a lucro ou não) sem a intermediação tradicional de instituições financeiras, liberando empreendedores de custos, regulações e burocracia associada a essa prática. Além disso, também é um método de pré-testar novos produtos com um público selecionado e entusiasmado. O objetivo dessa dissertação é entender que fatores estão influenciando a decisão do consumidor de investir em projetos. A literatura contribui com: (1) fatores intrínsecos, como desejo de patronagem; (2) fatores extrínsecos, como a apresentação do projeto; e (3) pressão social. Há ainda fatores associados com o nível atual de captação e número de investidores, assim como tipo de projeto envolvido, sendo ele de caridade ou não. Além disso, atitudes também possuem um papel em afetar a decisão de compra. Para responder a pergunta de pesquisa, uma metodologia de duas fases foi usada: uma entrevista de profundidade para capturar intenção de investir e motivação, de forma a construir um processo de decisão que englobasse todas as possibilidades descritas pela literatura. Após essa pesquisa qualitativa, uma pesquisa quantitativa foi feita para validar as informações coletadas pela fase anterior e coletar dados adicionais para gerar uma associação entre intenção de investir e comportamento. Dentre as informações geradas pela fase qualitativa, temos o fato que a maioria dos investidores tiveram como principal motivação a compra do produto sendo oferecido como se eles estivessem participando de uma pré-venda. Entretanto, essa não foi a principal razão para o investidor de caridade. Além disso, os respondentes que pré-compraram os produtos o fizeram para única razão que esses produtos satisfizeram desejos que tinham. Esses desejos variavam, sendo desde saudade de jogos antigos como resolver um problema de organização da carteira. Outra característica da pré-compra foi que eles não investiam valores simbólicos, pela razão que se o fizessem não receberiam o produto em troca. Recompensas tiveram um grande papel em atrair os respondentes para investimento em valores maiores que consideravam anteriormente. Também é verdade para o investidor em caridade, que também doou mais. A fase quantitativa confirmou as informações acima e gerou informação extra sobre as categorias de produto. Projetos de caridade e arte concentraram a maioria dos respondentes que disseram que a principal razão para investir foi basicamente ajudar a desenvolver o projeto sem demandar um produto em retorno. Entretanto, outros projetos como Música também apresentaram altos números de comportamento caridoso, possivelmente por causa do envolvimento emocional com o artista. Outras categorias apresentaram um mix de razões para investir ou enviesado a comprar o produto apenas, o que pode ser explicado pelo efeito de recompensas e pelo fato que essas categorias estão simplesmente pré-vendendo produtos. Essa pesquisa também confirmou as principais fontes usadas para conhecer mais sobre os projetos: recomendação pessoal e blogs e fóruns. Outro resultado dessa fase foi o desenvolvimento de fatores a partir de frases atitudinais que puderam explicar intenção de investir. Seis fatores foram criados: Entusiasmo (por crowdfunding), Exclusividade (compra de recompensas), Caridade (doações pequenas para ajudar o desenvolvimento do projeto), Cautela (similar à difusão de responsabilidade, isto é, espera por mais investidores para dar o primeiro passo), Intimidade (projeto foi recomendado ou há ligação emocional com o criador) e Compartilhamento (compartilhar para ajudar a trazer mais investidores para o projeto). Categorias com alto envolvimento emocional apresentaram associação com Intimidade, como música, filme e tecnologia. Dado o fato que a amostra não continha muitos entusiastas por crowdfunding, esse fator não apresentou qualquer associação com as categorias. Categorias que não entregam produtos em troca, como comida e fotografia, apresentaram altos níveis de associação com o fator caridade. Compartilhamento é altamente associado com tecnologia, dado o fato que essa categoria concentra os respondentes que são mais orientados à inovação e entusiastas sobre o produto, então precisam compartilhar e gerar boca-a-boca para ajudar a atingir a meta de investimento.

Joint dynamic probabilistic constraints with projected linear decision rules

We consider multistage stochastic linear optimization problems combining joint dynamic probabilistic constraints with hard constraints. We develop a method for projecting decision rules onto hard constraints of wait-and-see type. We establish the relation between the original (in nite dimensional) problem and approximating problems working with projections from di erent subclasses of decision policies. Considering the subclass of linear decision rules and a generalized linear model for the underlying stochastic process with noises that are Gaussian or truncated Gaussian, we show that the value and gradient of the objective and constraint functions of the approximating problems can be computed analytically.

Vegetative propagation of bauhinia x blakeana, an ornamental sterile tree

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Relief influence on tree species richness in secondary forest fragments of Atlantic Forest, SE, Brazil

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Thermoeconomic analysis method for optimization of combined heat and power systems

This article presents an thermoeconomic analysis of cogeneration plants, applied as a rational technique to produce electric power and saturated steam. The aim of this new methodology is the minimum exergetic manufacturing cost (EMC), based on the Second Law of Thermodynamics. The decision variables selected for the optimization are the pressure and the temperature of the steam leaving the boiler in the case of using steam turbine, and the pressure ratio, turbine exhaust temperature and mass flow in the case of using gas turbines. The equations for calculating the capital costs of the components and products are formulated as a function of these decision variables. An application of the method using real data of a multinational chemical industry located in São Paulo state is presented. The conditions which establish the minimum cost are presented as finals conclusions.

Is The amphibian tree of life really fatally flawed?

Wiens (2007, Q. Rev. Biol. 82, 55-56) recently published a severe critique of Frost et al.'s (2006, Bull. Am. Mus. Nat. Hist. 297, 1-370) monographic study of amphibian systematics, concluding that it is a disaster and recommending that readers simply ignore this study. Beyond the hyperbole, Wiens raised four general objections that he regarded as fatal flaws: (1) the sampling design was insufficient for the generic changes made and taxonomic changes were made without including all type species; (2) the nuclear gene most commonly used in amphibian phylogenetics, RAG-1, was not included, nor were the morphological characters that had justified the older taxonomy; (3) the analytical method employed is questionable because equally weighted parsimony assumes that all characters are evolving at equal rates; and (4) the results were at times clearly erroneous, as evidenced by the inferred non-monophyly of marsupial frogs. In this paper we respond to these criticisms. In brief: (1) the study of Frost et al. did not exist in a vacuum and we discussed our evidence and evidence previously obtained by others that documented the non-monophyletic taxa that we corrected. Beyond that, we agree that all type species should ideally be included, but inclusion of all potentially relevant type species is not feasible in a study of the magnitude of Frost et al. and we contend that this should not prevent progress in the formulation of phylogenetic hypotheses or their application outside of systematics. (2) Rhodopsin, a gene included by Frost et al. is the nuclear gene that is most commonly used in amphibian systematics, not RAG-1. Regardless, ignoring a study because of the absence of a single locus strikes us as unsound practice. With respect to previously hypothesized morphological synapomorphies, Frost et al. provided a lengthy review of the published evidence for all groups, and this was used to inform taxonomic decisions. We noted that confirming and reconciling all morphological transformation series published among previous studies needed to be done, and we included evidence from the only published data set at that time to explicitly code morphological characters (including a number of traditionally applied synapomorphies from adult morphology) across the bulk of the diversity of amphibians (Haas, 2003, Cladistics 19, 23-90). Moreover, the phylogenetic results of the Frost et al. study were largely consistent with previous morphological and molecular studies and where they differed, this was discussed with reference to the weight of evidence. (3) The claim that equally weighted parsimony assumes that all characters are evolving at equal rates has been shown to be false in both analytical and simulation studies. (4) The claimed strong support for marsupial frog monophyly is questionable. Several studies have also found marsupial frogs to be non-monophyletic. Wiens et al. (2005, Syst. Biol. 54, 719-748) recovered marsupial frogs as monophyletic, but that result was strongly supported only by Bayesian clade confidence values (which are known to overestimate support) and bootstrap support in his parsimony analysis was < 50%. Further, in a more recent parsimony analysis of an expanded data set that included RAG-1 and the three traditional morphological synapomorphies of marsupial frogs, Wiens et al. (2006, Am. Nat. 168, 579-596) also found them to be non-monophyletic.Although we attempted to apply the rule of monophyly to the naming of taxonomic groups, our phylogenetic results are largely consistent with conventional views even if not wth the taxonomy current at the time of our writing. Most of our taxonomic changes addressed examples of non-monophyly that had previously been known or suspected (e.g., the non-monophyly of traditional Hyperoliidae, Microhylidae, Hemiphractinae, Leptodactylidae, Phrynobatrachus, Ranidae, Rana, Bufo; and the placement of Brachycephalus within Eleutherodactylus, and Lineatriton within Pseudoeurycea), and it is troubling that Wiens and others, as evidenced by recent publications, continue to perpetuate recognition of non-monophyletic taxonomic groups that so profoundly misrepresent what is known about amphibian phylogeny. (C) The Willi Hennig Society 2007.

A new species of casque-headed tree frog, genus Aparasphenodon Miranda-Ribeiro (Amphibia: Anura: Hylidae), from the Atlantic Rainforest of southern Bahia, Brazil

A new species of Aparasphenodon is described from patches of arboreal restinga within the Atlantic Forest Biome, in a region known as Baixo Sul in southern Bahia, northeastern Brazil. Aparasphenodon arapapa sp. nov. is promptly diagnosed from other Aparasphenodon mainly by having small size (male snout-vent length 57.4-58.1 mm), loreal region flattened and wide, and canthus rostralis rounded and poorly elevated. The wide and flattened snout resembles that found in Triprion and Diaglena, and possibly is a parallelism (homoplasy) related to the phragmotic behavior of casque-headed tree frogs to their microhabitat usage. The decision to allocate the new species in the genus Aparasphenodon is discussed in detail, as the single morphological synapomorphy of the genus, the presence of a prenasal bone, is insufficient to morphologically relate the new species to Aparasphenodon, Triprion, or Diaglena.

The absolute configuration of 1-(3 ',4 '-dihydroxycinnamoyl)cyclopentane-2,3-diol from the Amazonian tree Chimarrhis turbinata

An antioxidant, 1-(3',4'-dihydroxycinnamoyl) cyclopentane-2,3-diol [ or ( E)-2,3-dihydroxycyclopentyl-3-(3',4'-dihydroxyphenyl) acrylate ( 1)], and two known trans- and cis-chlorogenic acid methyl esters were isolated from the ethanolic extract of the leaves of Chimarrhis turbinata. The relative configuration of 1 was determined by NMR and by comparison of the circular dichroic spectrum ( CD) with those of the enantiomers of synthetic 3', 4'-dimethoxycinnamoyl analogues. The absolute configuration of one of the synthetic enantiomers was determined using the CD exciton chirality method. This established the structure of naturally occurring 1 as (E)- 2,3-dihydroxycyclopentyl- 3-(3', 4'-dihydroxyphenyl) acrylate.

Thermoeconomic analysis method for optimization of combined heat and power systems. Part I

This article presents a thermoeconomic analysis of cogeneration plants, applied as a rational technique to produce electric power and saturated steam. The aim of this new methodology is the minimum Exergetic Production Cost (EPC), based on the Second Law of Thermodynamics. The variables selected for the optimization are the pressure and the temperature of the steam leaving the boiler in the case of using steam turbine, and the pressure ratio, turbine exhaust temperature and mass flow in the case of using gas turbines. The equations for calculating the capital costs of the components and products are formulated as a function of these decision variables. An application of the method using real data of a multinational chemical industry located in São Paulo state is presented. The conditions which establish the minimum cost are presented as final output. (C) 2003 Elsevier Ltd. All rights reserved.