¿Los supuestos de la mecánica cuántica contribuirían a entender ciertas desigualdades sistêmicas capitalistas? El asunto Piketty / Could the assumptions of quantum mechanics should contribute to understand certain systemic inequalities of capitalism? The Piketty s affair / Será que as hipóteses da mecânica quântica ajudariam a entender certas desigualdades sistêmicas capitalistas? O caso Piketty

RESUMEN El artículo busca probar la hipótesis de que ciertas desigualdades del crecimiento económico se podrían entender más allá de las características del sistema capitalista mismo. El artículo, primero expone algunos aspectos de las formas de pensar determinista newtoniana y mecánica cuántica Luego, utiliza herramientas cuánticas propuestas, entre otros, por Hawking y Otro (2010), Morin (1990), Prigogine (1990, 1993, 1997) y Russell (1986), probando su utilidad para comprender desigualdades capitalistas expuestas, entre otros, por Marx y Engels (2000), Marx (1970) y Keynes (1970). Y al final, intenta desvirtuar algunas propuestas de Piketty (2014) en relación con su crítica al crecimiento desigual. La metodología del artículo es descriptivo-comparada. A manera de hallazgo, el artículo propone que la ausencia de herramientas cuánticas en los análisis y terapias aplicadas para resolver problemas cada vez más complejos, explicaría cierto creciente desprestigio de los economistas contemporáneos en el entorno global. CLASIFICACIÓN JEL A12

ABSTRACT The article seeks to test the hypothesis that certain inequalities of economic growth could be understood beyond the characteristics of the capitalist system by itself. The article first exposes some aspects of Newtonian deterministic ways of thinking and also of quantum mechanics. Then, he uses quantum tools proposed, among others, by Hawking and Other (2010), Morin (1990), Prigogine (1990, 1993, 1997), and Russell (1986), proving their usefulness in understanding exposed capitalist inequalities, among others, by Marx and Engels (2000), Marx (1970) and Keynes (1970). And, in the end, he tries to distort some proposals of Piketty (2014) in relation to his criticism of unequal growth. The methodology of the article is descriptive comparative. By way of finding, the article proposes that the absence of quantum tools in the analyzes and therapies applied to solve increasingly complex problems, would explain some growing discredit of contemporary economists in the global environment. JEL CLASSIFICATION A12

RESUMO O artigo procura testar a hipótese de que certas desigualdades de crescimento econômico poderiam ser compreendidas além das características do próprio sistema capitalista. O artigo expõe primeiro alguns aspectos do pensamento determinista e da mecânica quântica newtoniana. Depois, utiliza ferramentas quânticas propostas, entre outras, por Hawking e Outro (2010), Morin (1990), Prigogine (1990, 1993, 1997), e Russell (1986), provando sua utilidade na compreensão das desigualdades capitalistas expostas, entre outros, por Marx e Engels (2000), Marx (1970) e Keynes (1970). E, no final, tenta distorcer algumas propostas de Piketty (2014) em relação à sua crítica ao crescimento desigual. A metodologia do artigo é descritivo-comparativa. Como conclusão, o artigo propõe que a ausência de ferramentas quânticas nas análises e terapias aplicadas para resolver problemas cada vez mais complexos, explicaria um certo descrédito crescente dos economistas contemporâneos no ambiente global. CLASSIFICAÇÃO JEL A12

Computational chemistry approaches in studies on industrial enzymes / 生物工程学报

We review major computational chemistry techniques applied in industrial enzyme studies, especially approaches intended for guiding enzyme engineering. These include molecular mechanics force field and molecular dynamics simulation, quantum mechanical and combined quantum mechanical/molecular mechanical approaches, electrostatic continuum models, molecular docking, etc. These approaches are essentially introduced from the following two angles for viewing: one is about the methods themselves, including the basic concepts, the primary computational results, and potential advantages and limitations; the other is about obtaining valuable information from the respective calculations to guide the design of mutants and mutant libraries.

Theoretical studies on the pyridoxal-5'-phosphate dependent enzyme dopa decarboxylase: Effect of Thr 246 residue on the co-factor-enzyme binding and reaction mechanism.

Decarboxylation of amino acid is a key step for biosynthesis of several important cellular metabolites in the biological systems. This process is catalyzed by amino acid decarboxylases and most of them use pyridoxal-5'-phosphate (PLP) as a co-factor. PLP is bound to the active site of the enzyme by various interactions with the neighboring amino acid residues. In the present investigation, density functional theory (DFT) and real-time dynamics studies on both ligand-free and ligand-bound dopa decarboxylases (DDC) have been carried out in order to elucidate the factors responsible for facile decarboxylation and also for proper binding of PLP in the active site of the enzyme. It has been found that in the crystal structure Asp271 interacts with the pyridine nitrogen atom of PLP through H-bonding in both native and substrate-bound DDC. On the contrary, Thr246 is in close proximity to the oxygen of 3-OH of PLP pyridine ring only in the substrate-bound DDC. In the ligand-free enzyme, the distance between the oxygen atom of 3-OH group of PLP pyridine ring and oxygen atom of Thr246 hydroxyl group is not favorable for hydrogen bonding. Thus, present study reveals that hydrogen bonding with O3 of PLP with a hydrogen bond donor residue provided by the enzyme plays an important role in the decarboxylation process.

Ciência e arte: relações improváveis? / Science and art: unlikely relations?

Este artigo discute as relações entre ciência e arte, principalmente entre física e pintura, com o objetivo de apresentar uma abordagem cultural para a ciência. Dessa forma, entendemos que a compreensão dos conteúdos da ciência torna-se mais significativa. Abordamos diferentes momentos da história desde a revolução científica até o século XX. As relações aqui salientadas não buscam uma relação causal entre ciência e arte, mas sim uma visão mais significativa do que é o processo de construção do conhecimento. Assim, a ciência se desnuda para nós como parte da cultura e pode nos ajudar a compreender melhor o processo histórico que nos trouxe até aqui.

With the goal of presenting a cultural approach to science, the article discusses relations between science and art, especially between physics and painting. From this standpoint, we can see how understanding the substance of science becomes more important. Different moments in history are examined, from the scientific revolution down through the twentieth century. The relations highlighted herein are not chosen in an effort to undercover a causal relation between science and art but to arrive at a more meaningful understanding of how knowledge is constructed. Science is thus revealed to be part of culture, which can help us better understand the historical process through which we have come to this point.