Financial Modeling and Prediction as a Service

© 2017 Springer Science+Business Media DordrechtThis paper describes our proposal for Quality of Service (QoS) for Financial Modeling and Prediction as a Service (FMPaaS), since a majority of papers does not focus on SaaS level. We focus on two factors for delivering successful QoS, which are performance and accuracy for FMPaaS. The design process, theories and models behind the FMPaaS service have been explained. To support our FMPaaS service, two APIs have been developed to improve on performance and accuracy. Two major experiments have been illustrated and results show that each API processing can be completed in 2.12 seconds and 100,000 simulations can be completed in an acceptable period of time. Accuracy tests have been performed while using Facebook as an example. Three points of comparisons between actual and predicted prices have been undertaken. Results support accuracy since results are between 93.72 % and 99.63 % for Facebook. Three case studies have been used and results can support the accuracy and validity of the high level of accuracy offered by FMPaaS

Lysosomes in iron metabolism, ageing and apoptosis

The lysosomal compartment is essential for a variety of cellular functions, including the normal turnover of most long-lived proteins and all organelles. The compartment consists of numerous acidic vesicles (pH ∼4 to 5) that constantly fuse and divide. It receives a large number of hydrolases (∼50) from the trans-Golgi network, and substrates from both the cells’ outside (heterophagy) and inside (autophagy). Many macromolecules contain iron that gives rise to an iron-rich environment in lysosomes that recently have degraded such macromolecules. Iron-rich lysosomes are sensitive to oxidative stress, while ‘resting’ lysosomes, which have not recently participated in autophagic events, are not. The magnitude of oxidative stress determines the degree of lysosomal destabilization and, consequently, whether arrested growth, reparative autophagy, apoptosis, or necrosis will follow. Heterophagy is the first step in the process by which immunocompetent cells modify antigens and produce antibodies, while exocytosis of lysosomal enzymes may promote tumor invasion, angiogenesis, and metastasis. Apart from being an essential turnover process, autophagy is also a mechanism by which cells will be able to sustain temporary starvation and rid themselves of intracellular organisms that have invaded, although some pathogens have evolved mechanisms to prevent their destruction. Mutated lysosomal enzymes are the underlying cause of a number of lysosomal storage diseases involving the accumulation of materials that would be the substrate for the corresponding hydrolases, were they not defective. The normal, low-level diffusion of hydrogen peroxide into iron-rich lysosomes causes the slow formation of lipofuscin in long-lived postmitotic cells, where it occupies a substantial part of the lysosomal compartment at the end of the life span. This seems to result in the diversion of newly produced lysosomal enzymes away from autophagosomes, leading to the accumulation of malfunctioning mitochondria and proteins with consequent cellular dysfunction. If autophagy were a perfect turnover process, postmitotic ageing and several age-related neurodegenerative diseases would, perhaps, not take place

Mitochondrial dysfunction and biogenesis: do ICU patients die from mitochondrial failure?

Mitochondrial functions include production of energy, activation of programmed cell death, and a number of cell specific tasks, e.g., cell signaling, control of Ca2+ metabolism, and synthesis of a number of important biomolecules. As proper mitochondrial function is critical for normal performance and survival of cells, mitochondrial dysfunction often leads to pathological conditions resulting in various human diseases. Recently mitochondrial dysfunction has been linked to multiple organ failure (MOF) often leading to the death of critical care patients. However, there are two main reasons why this insight did not generate an adequate resonance in clinical settings. First, most data regarding mitochondrial dysfunction in organs susceptible to failure in critical care diseases (liver, kidney, heart, lung, intestine, brain) were collected using animal models. Second, there is no clear therapeutic strategy how acquired mitochondrial dysfunction can be improved. Only the benefit of such therapies will confirm the critical role of mitochondrial dysfunction in clinical settings. Here we summarized data on mitochondrial dysfunction obtained in diverse experimental systems, which are related to conditions seen in intensive care unit (ICU) patients. Particular attention is given to mechanisms that cause cell death and organ dysfunction and to prospective therapeutic strategies, directed to recover mitochondrial function. Collectively the data discussed in this review suggest that appropriate diagnosis and specific treatment of mitochondrial dysfunction in ICU patients may significantly improve the clinical outcome

Mitochondrial physiology

As the knowledge base and importance of mitochondrial physiology to evolution, health and disease expands, the necessity for harmonizing the terminology concerning mitochondrial respiratory states and rates has become increasingly apparent. The chemiosmotic theory establishes the mechanism of energy transformation and coupling in oxidative phosphorylation. The unifying concept of the protonmotive force provides the framework for developing a consistent theoretical foundation of mitochondrial physiology and bioenergetics. We follow the latest SI guidelines and those of the International Union of Pure and Applied Chemistry (IUPAC) on terminology in physical chemistry, extended by considerations of open systems and thermodynamics of irreversible processes. The concept-driven constructive terminology incorporates the meaning of each quantity and aligns concepts and symbols with the nomenclature of classical bioenergetics. We endeavour to provide a balanced view of mitochondrial respiratory control and a critical discussion on reporting data of mitochondrial respiration in terms of metabolic flows and fluxes. Uniform standards for evaluation of respiratory states and rates will ultimately contribute to reproducibility between laboratories and thus support the development of data repositories of mitochondrial respiratory function in species, tissues, and cells. Clarity of concept and consistency of nomenclature facilitate effective transdisciplinary communication, education, and ultimately further discovery

19F NMR matrix‐assisted DOSY: a versatile tool for differentiating fluorinated species in mixtures

FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL E NÍVEL SUPERIORNMR is the most versatile tool for the analysis of organic compounds and, in combination with Diffusion‐Ordered Spectroscopy (‘DOSY’), can give information on compounds in complex mixtures without the need for physical separation. In mixtures where the co554323328FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL E NÍVEL SUPERIORFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL E NÍVEL SUPERIOR2013/03477‐22015/08541‐6sem informaçãosem informaçã

Dealing with supramolecular structure for ionic liquids: a DOSY NMR approach

Diffusion-ordered spectroscopy (DOSY) is arguably a powerful method for the NMR analysis of ionic liquids, since the self-diffusion coefficients for cations and anions can be measured straightforwardly. In this work, the dynamic-structural behaviour of imidazolium ionic liquids containing different anions has been investigated by experimental measurements of direct H-1 diffusion coefficients in chloroform and water solutions. The influence of ion structure has been tested by using six IL salts formed by the association of different cations (1-n-butyl-3-methylimidazolium, 1,2,3-trimethylimidazolium and tetra-n-butylammonium) with different anion structures (prolinate, acetate and o-trifluoromehtylobenzoate). The influence of IL concentration (from 0.01 to 0.5 mol L-1) was also evaluated for BMIPro. The contact ion pairs (or aggregates) are maintained in both chloroform and water within the range of concentrations investigated. In the particular case of 1,2,3-trimethylimidazolium imidazolate (TMIIm) containing confined water in DMSO the maintenance of the contact ion pairs depends on the water content which may even disrupt the IL supramolecular structure21525672571CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQCOORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPESFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESPFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DO RIO GRANDE DO SUL - FAPERGS167156/2014-4; 421248/2016-5; 169462/2017-088881. 158804/2017-016/2551-0000; 18/2551-0000561-42015/08541-

Fluorine-19 Matrix-Assisted DOSY

Experimental data in Bruker Topspin format for matrix-assisted DOSY experiments on mixtures of fluoroaniline and fluorophenol isomers in D2O and CCl4 with and without SDS,CTAB and AOT surfactants

Evaluation of the cytotoxicity on breast cancer cell of extracts and compounds isolated from Hyptis pectinata (L.) poit

Hyptis pectinata is a herb popularly used in Brazil for the treatment of inflammations, pain, bacterial infections and cancer. In the present study, inflorescences (MPIn), leaves (MPL), branches (MPB), root (MPR) extracts and three compounds isolated from MPIn were assayed against breast tumor cell lines. The structures of the three compounds (pectinolide J, hyptolide and pectinolide E) were determined by means of spectroscopic analysis. Pectinolide J was isolated for the first time. The MPIn, MPL and MPR exhibited specific antiproliferative activity on tumor cell lines when compared to normal cell lines with IC50 of 52.01 +/- 0.64, 45.91 +/- 0.02 mu g/mL and 82.84 +/- 0.03 mu g/mL, respectively. Although the isolated substances did not present good antiproliferative activity, when the three were associated, a greater biological effect was observed, suggesting a synergistic effect. Hyptolide (5.6 +/- 0.4 mu g/mL) showed IC50 sufficiently low to be considered as a drug prototype341102109CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQCOORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPESFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPES

Importance of the β5−β6 Loop for the structure, catalytic efficiency and stability of carbapenem-hydrolyzing class D β-Lactamase subfamily OXA-143

The class D beta-lactamase OXA-143 has been described as an efficient penicillinase, oxacillinase, and carbapenemase. The D224A variant, known as OXA-231, was described in 2012 as exhibiting less activity toward imipenem and increased oxacillinase activity. Additionally, the P227S mutation was reported as a case of convergent evolution for homologous enzymes. To investigate the impact of both mutations (D224A and P227S), we describe in this paper a deep investigation of the enzymatic activities of these three homologues. OXA-143(P227S) presented enhanced catalytic activity against ampicillin, oxacillins, aztreonam, and carbapenems. In addition, OXA-143(P227S) was the only member capable of hydrolyzing ceftazidime. These enhanced activities were due to a combination of a higher affinity (lower K-m) and a higher turnover number (higher k(cat)). We also determined the crystal structure of apo OXA-231. As expected, the structure of this variant is very similar to the published OXA-143 structure, except for the two M223 conformations and the absence of electron density for three solvent-exposed loop segments. Molecular dynamics calculations showed that both mutants experience higher flexibility compared to that of the wild-type form. Therefore, our results illustrate that D224A and P227S act as deleterious and positive mutations, respectively, within the evolutionary path of the OXA-143 subfamily toward a more efficient carbapenemase583436043616CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQCOORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPESFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE MINAS GERAIS - FAPEMIGFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESP438316/2018-5não temAPQ:90941142011/0777-5; 2017/17303-7; 2017/22822-3The authors thank the facilities NMR Laboratory, Chemistry Institute IQ-UNICAMP, Núcleo de Computação Científica da Universidade do Estado de São Paulo (NCC/GridUNESP), and Centro Nacional de Processamento de Alto Desempenho em São Paulo (CENAPAD-SP) for computational resources, The authors also thank the Chemistry Institute of the University of Campinas and the Chemistry Institute of the University of São Paulo. Ronaldo Nagem and Tiago Brandão are acknowledged for their financial support during time spent at UFMG. The authors finally thank Stefanya Velázques Gómez for helpful discussions, Cláudio F. Tormena and Carlos Ramos for kindly helping with reagents and equipment, and Annelize Z. B. Aragão for support with mutations and protein purificatio