The Complex Topology of Chemical Plants

We show that flowsheets of oil refineries can be associated to complex network topologies that are scale-free, display small-world effect and possess hierarchical organization. The emergence of these properties from such man-made networks is explained as a consequence of the currently used principles for process design, which include heuristics as well as algorithmic techniques. We expect these results to be valid for chemical plants of different types and capacities.Comment: 7 pages, 5 figures and 1 tabl

Ab initio study of the beta$-tin->Imma->sh phase transitions in silicon and germanium

We have investigated the structural sequence of the high-pressure phases of silicon and germanium. We have focussed on the cd->beta-tin->Imma->sh phase transitions. We have used the plane-wave pseudopotential approach to the density-functional theory implemented within the Vienna ab-initio simulation package (VASP). We have determined the equilibrium properties of each structure and the values of the critical parameters including a hysteresis effect at the phase transitions. The order of the phase transitions has been obtained alternatively from the pressure dependence of the enthalpy and of the internal structure parameters. The commonly used tangent construction is shown to be very unreliable. Our calculations identify a first-order phase transition from the cd to the beta-tin and from the Imma to the sh phase, and they indicate the possibility of a second-order phase-transition from the beta-tin to the Imma phase. Finally, we have derived the enthalpy barriers between the phases.Comment: 12 pages, 16 figure

Optimal bispectrum constraints on single-field models of inflation

We use WMAP 9-year bispectrum data to constrain the free parameters of an 'effective field theory' describing fluctuations in single-field inflation. The Lagrangian of the theory contains a finite number of operators associated with unknown mass scales. Each operator produces a fixed bispectrum shape, which we decompose into partial waves in order to construct a likelihood function. Based on this likelihood we are able to constrain four linearly independent combinations of the mass scales. As an example of our framework we specialize our results to the case of 'Dirac-Born-Infeld' and 'ghost' inflation and obtain the posterior probability for each model, which in Bayesian schemes is a useful tool for model comparison. Our results suggest that DBI-like models with two or more free parameters are disfavoured by the data by comparison with single parameter models in the same class

Action of cholecalciferol and alpha-tocopherol on Staphylococcus aureus efflux pumps

Alpha-tocopherol is one the most abundant and biologically active isoforms of vitamin E. This compound is a potent antioxidant and one of most studied isoforms of vitamin E. Vitamin D3 (cholecalciferol) is an important nutrient for calcium homeostasis and bone health, that has also been recognized as a potent modulator of the immune response. Methicillin-resistant Staphylococcus aureus (MRSA) is the most important causative agent of both nosocomial and community-acquired infections. The aim of this study was to evaluate the inhibitory effect of alpha-tocopherol and cholecalciferol on both S. aureus and multidrug resistant S. aureus efflux pumps. The RN4220 strain has the plasmid pUL5054 that is the carrier of gene that encodes the macrolide resistance protein (an efflux pump) MsrA; the IS-58 strain possesses the TetK tetracycline efflux protein in its genome and the 1199B strain resists to hydrophilic fluoroquinolones via a NorA-mediated mechanism. The antibacterial activity was evaluated by determining the Minimal Inhibitory Concentration (MIC) and a possible inhibition of efflux pumps was associated to a reduction of the MIC. In this work we observed that in the presence of the treatments there was a decrease in the MIC for the RN4220 and IS-58 strains, suggesting that the substances presented an inhibitory effect on the efflux pumps of these strains. Significant efforts have been done to identify efflux pump inhibitors (EPIs) from natural sources and, therefore, the antibacterial properties of cholecalciferol and alphatocopherol might be attributed to a direct effect on the bacterial cell depending on their amphipathic structure

Nucleation of a sodium droplet on C60

We investigate theoretically the progressive coating of C60 by several sodium atoms. Density functional calculations using a nonlocal functional are performed for NaC60 and Na2C60 in various configurations. These data are used to construct an empirical atomistic model in order to treat larger sizes in a statistical and dynamical context. Fluctuating charges are incorporated to account for charge transfer between sodium and carbon atoms. By performing systematic global optimization in the size range 1<=n<=30, we find that Na_nC60 is homogeneously coated at small sizes, and that a growing droplet is formed above n=>8. The separate effects of single ionization and thermalization are also considered, as well as the changes due to a strong external electric field. The present results are discussed in the light of various experimental data.Comment: 17 pages, 10 figure

PHB-PEO electrospun fiber membranes containing chlorhexidine for drug delivery applications

Fiber meshes of poly(hydroxybutyrate) (PHB) and poly(hydroxybutyrate)/poly(ethylene oxide) (PHB/PEO) with different concentrations of chlorhexidine (CHX) were prepared by electrospinning for assessment as a polymer based drug delivery system. The electrospun fibers were characterized at morphological, molecular and mechanical levels. The bactericidal potential of PHB and PHB/PEO electrospun fibers, with and without CHX, was investigated against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) by disk diffusion susceptibility tests. Electrospun fibers containing CHX exhibited bactericidal activity. PHB/PEO-1%CHX displayed higher CHX release levels and equivalent antibacterial activity when compared to PHB/PEO with 5 and 10 wt% CHX. Bactericidal performance of samples with 1 wt% CHX was assessed by Colony Forming Units (CFU), where reductions of 100% and 99.69% against E. coli and S. aureus were achieved, respectively.This work was supported by FEDER through the COMPETE Program and by the Portuguese Foundation for Science and Technology (FCT) in the framework of the Strategic Project PEST-C/FIS/UI607/2011 and PEST-C/QUI/UIO686/2011. The authors also thank funding from Matepro - Optimizing Materials and Processes", ref. NORTE-07-0124-FEDER-000037", co-funded by the "Programa Operacional Regional do Norte" (ON.2 - O Novo Norte), under the "Quadro de Referencia Estrategico Nacional" (QREN), through the "Fundo Europeu de Desenvolvimento Regional" (FEDER). D.M.C, JP and VS thanks the FCT for the, SFRH/BD/82411/2011, SFRH/BD/64901/2009 and SFRH/BPD/63148/2009 grants respectively. The authors also thank support from the COST Action MP1003, 2010 'European Scientific Network for Artificial Muscles' and to the COST Action MP1206 'Electrospun Nano-fibres for Bio inspired Composite Materials and Innovative Industrial Applications'. The authors also thank prof. Jose Luis Gomez Ribelles from the Unversidad Politecnica de Valencia, Spain, for interesting discussions on these issues

Obesity increases eosinophil activity in asthmatic children and adolescents

A clear relationship between asthma and obesity has been reported, but the mechanisms remain unclear. The aim of this study was to evaluate the influence of obesity on eosinophil activity (chemotaxis and adhesion) in asthmatic children and adolescents compared with cells from healthy volunteers. Methods: Asthmatic obese (AO), asthmatic non-obese (ANO), non-asthmatic obese (NAO) and non-asthmatic non-obese (NANO) individuals were included in the present study. The chemotaxis of eosinophils after stimulation with eotaxin (300 ng/ml), platelet-activating factor (10 mu M; PAF) and RANTES (100 ng/ml) was performed using a microchemotaxis chamber. The eosinophil peroxidase activity was measured to determine the adhesion activity of eosinophils cultivated on fibronectin-coated plates. The serum leptin, adiponectin, TNF-alpha and IgE levels were quantified using ELISA assays. Results: The serum IgE levels and eosinophil counts were significantly higher in asthmatic (obese and non-obese) individuals compared with non-asthmatic individuals (obese and non-obese). Spontaneous eosinophil chemotaxis was greater in the AO group compared with either the ANO or NANO groups. The activation of eosinophils using eotaxin and PAF increased eosinophil chemotaxis in the AO group. RANTES treatment increased eosinophil chemotaxis in the NAO group compared with the NANO or ANO groups. The activation of eosinophils using eotaxin significantly increased eosinophil adhesion in the AO group compared with other groups. The serum leptin and TNF-alpha levels were higher in obese subjects (asthmatic and non-asthmatic), whereas the levels of adiponectin did not significantly differ among these groups. Conclusion: This study is the first to show increased eosinophilic activity (chemotaxis and adhesion) associated with high serum leptin and TNF-alpha levels in atopic asthmatic obese children and adolescents compared with non-obese healthy volunteers133

Flocculation of Arthrospira maxima for improved harvesting

The 6th International Conference on Energy and Environment ResearchThe environmental impacts associated with the burning of fossil fuels coupled with growing concerns about security of energy supply, motivated the search for more sustainable forms of energy production, among which came microalgae for biofuels production. However, the commercial production of microalgae biofuels is still not competitive compared to fossil fuels, as it is necessary to solve some process bottlenecks, among which biomass harvesting, that is the focus of this work. Hence, this work intends to study the harvesting of microalga Arthrospira maxima through flocculation by pH variation and/or addition of CaCl2 as flocculant. Thus, it is described the effect of pH variation (in the range 6 to 12), followed by the addition of flocculant, on the harvesting efficiency. Results show that by pH increase over 10 using NaOH, or by flocculation using CaCl2 at a concentration of 0.2-2.0 g/L and at a 1:30 ratio (v/v) of CaCl2/microalgae culture, it is possible to effectively harvest this microalga.Authors thank the financial support of the project IF/01093/2014/CP1249/CT0003 and research grants IF/01093/2014 and SFRH/BPD/112003/2015 funded by national funds through FCT/MCTES, and project UID/EQU/00305/2013 - Center for Innovation in Engineering and Industrial Technology — CIETI. This work was financially supported by: project UID/EQU/00511/2019 — Laboratory for Process Engineering, Environment, Biotechnology and Energy — LEPABE funded by national funds through FCT/MCTES (PIDDAC); Project POCI-01-0145-FEDER-006939 (Laboratory for Process Engineering, Environment, Biotechnology and Energy — LEPABE, UID/EQU/00511/2013) funded by FEDER through COMPETE2020-POCI and by national funds through FCT; Project “LEPABE-2-ECO-INNOVATION” - NORTE-01-0145-FEDER-000005, funded by Norte Portugal Regional Operational Programme (NORTE 2020), under PORTUGAL 2020 Partnership Agreement, through the European Regional Development Fund (ERDF).N/

The molecular basis, genetic control and pleiotropic effects of local gene co-expression.

Nearby genes are often expressed as a group. Yet, the prevalence, molecular mechanisms and genetic control of local gene co-expression are far from being understood. Here, by leveraging gene expression measurements across 49 human tissues and hundreds of individuals, we find that local gene co-expression occurs in 13% to 53% of genes per tissue. By integrating various molecular assays (e.g. ChIP-seq and Hi-C), we estimate the ability of several mechanisms, such as enhancer-gene interactions, in distinguishing gene pairs that are co-expressed from those that are not. Notably, we identify 32,636 expression quantitative trait loci (eQTLs) which associate with co-expressed gene pairs and often overlap enhancer regions. Due to affecting several genes, these eQTLs are more often associated with multiple human traits than other eQTLs. Our study paves the way to comprehend trait pleiotropy and functional interpretation of QTL and GWAS findings. All local gene co-expression identified here is available through a public database ( https://glcoex.unil.ch/ )