A Self Consistent Reaction Field Study on Electrostatic Isopotential Maps

The influence of a self consistent reaction field on the charge distribution of molecular systems is studied. Electrostatic isopotential maps are used to discuss the qualitative and quantitative aspects of such an influence

Differences in ATP generation via glycolysis and oxidative phosphorylation, and relationships with sperm motility, in mouse species

Mouse sperm produce enough ATP to sustain motility by anaerobic glycolysis and respiration. However, previous studies indicated that an active glycolytic pathway is required to achieve normal sperm function, and identified glycolysis as the main source of ATP to fuel the motility of mouse sperm. All the available evidence has been gathered for the lab mouse, while comparative studies including closely related mouse species have revealed (a) a wide range of variation in sperm motility and ATP production, and (b) that the lab mouse shows comparatively low values in these traits. In this study, we compared the relative reliance on the usage of glycolysis or oxidative phosphorylation as ATP sources for sperm motility between mouse species that exhibit significantly different sperm performance parameters. We found that the sperm of species with higher oxygen consumption/lactate excretion rate ratio were able to produce higher amounts of ATP, achieving higher swimming velocities. Additionally, we show that the species with higher respiration/glycolysis ratio have a higher degree of dependence upon active oxidative phosphorylation. Moreover, we characterize for the first time, two mouse species in which sperm depend on functional oxidative phosphorylation to achieve normal performance. Finally, we discuss that sexual selection through sperm competition could promote adaptations in sperm energetic metabolism tending to increase the usage of oxidative phosphorylation in relation to glycolysis, as this would constitute a more efficient pathway for the generation of ATP (and faster sperm).Peer reviewe

A theoretical study of the relative stability of the isomeric forms of N₂O₃

The electronic structure, geometrical parameters and relative stability of the isomeric forms of N₂O₃ are analysed by means of ab initio calculations. Total energies of the different isomers are given. The energy difference between the most stable conformers of the symmetric N₂O₃ is 4.31 Kcal mol⁻¹ as provided by 6–31G basis set. The height of the rotational barrier determined by the ab initio technique is 7.12 kcal mol⁻¹.Instituto de Investigaciones Fisicoquímicas Teóricas y AplicadasFacultad de Ciencias Exacta

Immobilization of enological pectinase in calcium alginate hydrogels: A potential biocatalyst for winemaking

A biocatalyst was obtained by immobilizing an enological commercial pectinase within calcium alginate hydrogels using an entrapment technique, and its catalytic activity was evaluated during different storage conditions. Hydrogel beads were stored at 4 °C in three different ways: (i) wet, in citrate buffer solution (pH 3.8); (ii) dehydrated by using a vacuum stove; and (iii) freeze-dried. Biocatalyst surface and their internal morphology were characterized by Scanning Electron Microscopy and a good enzyme distribution throughout alginate matrix was observed. Fourier Transform Infrared Spectroscopy results confirmed the presence of absorption bands associated with amino groups present in enzymes. Immobilization procedure did not modify the optimal pH and temperature (pH = 4.0 and 20 °C) for pectinase activity, comparing to free enzyme. Entrapped pectinase showed activity until six reaction cycles with 40% residual activity. Storage stability studies demonstrated that wet entrapped pectinase retained its initial enzymatic activity up to 11 weeks, whereas that lyophilized hydrogels retained its original activity after 8 months of storage. These results suggest that immobilized pectinase may be successfully exploited in various industrial applications, with special concern in grape juice clarification process. Thus, the turbidity of grape must decreased significantly using the immobilized pectinase during 150 min at 20 °C. This biocatalyst could be easily removed after clarification process and it can be reused, minimizing production economic costs in wine industry.Fil: Martín, María Carolina. Universidad Nacional de Cuyo. Facultad de Ciencias Aplicadas a la Industria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Lopez, Olivia Valeria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Ciolino, Andrés Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Morata, Vilma Ines. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina. Universidad Nacional de Cuyo. Facultad de Ciencias Aplicadas a la Industria; ArgentinaFil: Villar, Marcelo Armando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Ninago, Mario Daniel. Universidad Nacional de Cuyo. Facultad de Ciencias Aplicadas a la Industria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentin

Tracking progress towards accessible, green and efficient energy: The Inclusive Green Energy index

This paper presents an index to evaluate progress in achieving the key dimensions of the Sustainable Development Goal 7, which entails ensuring “access to affordable, sustainable and modern energy for all.” The key aspects of this index, called the Inclusive Green Energy index, are: (i) it focuses on changes, rather than on levels, of the access, greenness and use of energy; (ii) it exhibits a decomposability feature that permits integrating several dimensions, both positive and negative, in a friendly way; and (iii) the evaluation of progress is made relative to some reference values (targets and thresholds) that can differ between countries. We calculate the Inclusive Green Energy index of progress for 157 countries using data from 2004 to 2014 on three indicators intended to capture inclusiveness, greenness, and efficiency of energy use. The results show that progress has, on average, been positive across the world, with more than 87 per cent of the sample of countries experiencing some degree of progress. However, progress is smaller for the Middle East and North African and Sub-Saharan African countries and it is negative for most of the countries that exhibit low levels of human development, as measured by the Human Development Index. Furthermore, fewer than one in four of the countries in the sample have an Inclusive Green Energy index commensurate with having met their targets. This suggests that much remains to be done globally with regard to being on track towards meeting their Sustainable Development Goal 7 by 2030.Partnership for Action on Green Economy (PAGE

A decisão como processo performativo : uma análise sob a perspectiva relacional

Orientadora: Karina De Déa RóglioTese (doutorado) - Universidade Federal do Paraná, Setor de Ciências Sociais e Aplicadas, Programa de Pós-Graduação em Administração. Defesa : Curitiba, 21/02/2019Inclui referências; p. 158-167Resumo: Nesta pesquisa o meu objetivo consiste em compreender, a partir de uma ontologia relacional e de uma mentalidade performativa, o processo decisório organizacional. Revisei a literatura de teoria ator-rede, processo decisório e performatividade, para desenvolver uma mentalidade performativa para problematizar os pressupostos de racionalidade, consequencialidade, estruturalismo/voluntarismo, os quais apresentam-se arraigados nesse campo de estudos. Fui em busca de explicações que respeitassem a simetria generalizada, o agnosticismo do observador e a possibilidade de livre associação e, para tanto, desenvolvi esta pesquisa em um paradigma pós-estrutural, na medida em que combinei a ontologia relacional e a visão descentralizada da agência. Na proposta de uma mentalidade performativa para o processo decisório propus a ressignificação do entendimento ontológico e teórico de elementos tidos como certo nas abordagens anteriores, como a decisão, o processo decisório e a atuação do decisor. Em termos metodológicos estudei por quase 3 (três) anos os atuantes envolvidos em um negócio social. Para isso, adotei uma postura etnográfica de pesquisa, em que rastreei os atores em seu dia a dia, além da realização de entrevistas e observação de reuniões. Por meio de um raciocínio abdutivo na análise das anotações, desenvolvi uma descrição narrativa dos resultados. Em um olhar pragmático, explorei a decisão a partir do que os próprios atores humanos chamam de decisão, e, posteriormente, discuti "do que são feitos" estes rótulos e "como se comportam". A partir destes resultados, defendo a tese de que a decisão, em seu aspecto relacional, é fruto da relação mediada (não consequencialista) de inúmeros atuantes híbridos (atores, textos, artefatos e teorias), a qual ganha, neste processo, um caráter quase-objetivo, o que denominei de concordância relacional relativa (em consideração a sua fragilidade organizativa). O aspecto performativo reside no fato de, ao adentrar à rede de relações, a decisão também impacta na organização da rede e no fluxo de ação (considerada como efeito agencial do coletivo). Como contribuição teórica para a área de processo decisório, ressalto os atributos analíticos que emergiram no processo de análise, como: (i) a não fixidez da decisão, (ii) a multiplicidade de realidades; e (iii) a singularidade virtual. Por meio do quadro teórico-explicativo proposto pude incluir questões até então relegadas nas análises substancialistas do processo decisório, como materialidade e participação de não-humanos, agência distribuída, temporalidade e espacialidade. Por fim, a tese que apresento, em virtude da ontologia relacional endereçada, da mentalidade performativa sugerida, da trajetória processual descrita, pode auxiliar pesquisadores a trazer a decisão e a temática do processo decisório de volta à centralidade nos estudos organizacionais, dada a centralidade que ocupa nas organizações e nas atividades de seus praticantes. Palavras-Chave: Decisão. Ontologia Relacional. Performatividade. Teoria Ator-Rede. Etnografia.Abstract: In this research, my objective is to understand, from a relational ontology and a performative mentality, the organisational decision-making process. I reviewed the literature on actor-network theory, decision making and performativity to develop a performative mentality to problematize the suppositions of rationality, consequentiality, structuralism/voluntarism, which are rooted in this field of study. I went in search of explanations that respected the generalised symmetry, the agnosticism of the observer and the possibility of free association and for that, I developed this research in a post-structural paradigm, in that I combined the relational ontology and the decentralised perspective of the agency. In the proposal of a performative mentality for the decision-making process, I proposed the re-signification of the ontological and theoretical understanding of elements taken for granted in previous approaches, such as the decision, the decision-making process and the decision-makers performance. In methodological terms, I studied for almost three years those involved in a social enterprise. For that, I adopted an ethnographic posture, in which I traced the actors in their daily lives, in addition to conducting interviews and observing meetings. Through abductive reasoning in the analysis of the notes, I developed a narrative description of the results. In a realistic look, I explored the decision from what the human actors themselves call a decision, and later I discussed "what are they made of" and "how they behave." From these results, I defend the thesis that the decision, in its relational aspect, is the result of the mediated (non-consequentialist) relation of numerous hybrid actants (actors, texts, artefacts and theories), which in this process gains a quasi-objective character, what I called relative relational agreement (in consideration of its organizational fragility). The performative aspect lies in the fact that, when entering the network of relations, the decision also impacts on the organisation of the network and on the flow of action (considered as the agency effect of the collective). As a theoretical contribution to the decision-making area, I highlight the analytical attributes that emerged in the analysis process, such as (i) the non-fixity of the decision, (ii) the multiplicity of realities; and (iii) virtual singularity. Through the proposed theoretical-explanatory framework, I could include issues that had hitherto been relegated in the substantive analysis of the decision-making process, such as materiality and non-human participation, distributed agency, temporality and spatiality. Finally, the thesis that I present, by virtue of the addressed relational ontology, of the suggested performative mentality, of the processual trajectory described, can help researchers bring the decision and the thematic of the decision-making process back to the centrality in organisational studies given the centrality it occupies in the organisations and in its practitioners activities. Keywords: Decision. Relational Ontology. Performativity. Actor-Network Theory. Ethnography

Trajetórias (Trans)formativas das Decisões: uma Análise pela Perspectiva da Tradução

Motivated by an agenda for empirical research on decisions, we seek to understand how an issue or idea is labelled as a "decision". Based on the relational ontology, we used the Actor-Network Theory as a theoretical frame, and particularly the translation perspective. In order to understand the "process of formation and stabilization of decisions" focused on what makes actors act, we conducted an ethnographic study in a social enterprise for 30 months. Through narrative analysis, we propose the (trans)formative trajectories of decisions in which we describe the trajectory of these hybrid entities achieving the status of relative fixity labelled as "the decision". We understand the trajectory as an ongoing translation journey; thus, we tracked decisions in their trajectories of translation, packaging and legitimation. The elements of the organizational decision-making are re-signified as performative texts, which enter the network of relations. Therefore, decisions are (trans)formed on a journey of mediation among multiple actants. When objectified as crystallized texts, the decisions become performative, because they start to organize and participate in the constitution of the ongoing reality. This theoretical framework allowed us to extend the processual understanding of decision-making aligned with the relational ontology and the time-process perspective.Motivados por uma agenda de pesquisas empíricas sobre decisões, buscamos entender como uma questão ou ideia é rotulada como "decisão". Com base na ontologia relacional, utilizamos a Teoria Ator-Rede e, principalmente, a perspectiva da tradução como referencial teórico. Para entender o "processo de formação e estabilização de decisões" com foco no que faz os atores agirem, realizamos um estudo etnográfico em um negócio social por 30 meses. Por meio da análise narrativa, propomos as trajetórias (trans)formativas de decisões, em que descrevemos a trajetória dessas entidades híbridas atingindo o status de fixidez relativa rotulada como "a decisão". Entendemos a trajetória como uma jornada contínua de tradução; assim, rastreamos as decisões em suas trajetórias de tradução, empacotamento e legitimação. Os elementos da tomada de decisão organizacional são re-significados como textos performativos, que entram no sistema de relações. Portanto, as decisões são (trans)formadas em uma jornada de mediação entre múltiplos atores. Quando objetivadas como textos cristalizados, as decisões se tornam performativas, porque passam a se organizar e a participar da constituição da realidade em andamento. Esse arcabouço teórico nos permitiu ampliar o entendimento processual da tomada de decisão alinhada com a ontologia relacional e a perspectiva do tempo-processo