Showing papers by "Rovira i Virgili University published in 2013"

Diffusion dynamics on multiplex networks.

Abstract: We study the time scales associated with diffusion processes that take place on multiplex networks, i.e., on a set of networks linked through interconnected layers. To this end, we propose the construction of a supra-Laplacian matrix, which consists of a dimensional lifting of the Laplacian matrix of each layer of the multiplex network. We use perturbative analysis to reveal analytically the structure of eigenvectors and eigenvalues of the complete network in terms of the spectral properties of the individual layers. The spectrum of the supra-Laplacian allows us to understand the physics of diffusionlike processes on top of multiplex networks.

Dynamical Interplay between Awareness and Epidemic Spreading in Multiplex Networks

Abstract: We present the analysis of the interrelation between two processes accounting for the spreading of an epidemic, and the information awareness to prevent its infection, on top of multiplex networks. This scenario is representative of an epidemic process spreading on a network of persistent real contacts, and a cyclic information awareness process diffusing in the network of virtual social contacts between the same individuals. The topology corresponds to a multiplex network where two diffusive processes are interacting affecting each other. The analysis using a microscopic Markov chain approach reveals the phase diagram of the incidence of the epidemics and allows us to capture the evolution of the epidemic threshold depending on the topological structure of the multiplex and the interrelation with the awareness process. Interestingly, the critical point for the onset of the epidemics has a critical value (metacritical point) defined by the awareness dynamics and the topology of the virtual network, from which the onset increases and the epidemics incidence decreases.

Mathematical Formulation of Multilayer Networks

Abstract: A network representation is useful for describing the structure of a large variety of complex systems. However, most real and engineered systems have multiple subsystems and layers of connectivity, and the data produced by such systems are very rich. Achieving a deep understanding of such systems necessitates generalizing ‘‘traditional’’ network theory, and the newfound deluge of data now makes it possible to test increasingly general frameworks for the study of networks. In particular, although adjacency matrices are useful to describe traditional single-layer networks, such a representation is insufficient for the analysis and description of multiplex and time-dependent networks. One must therefore develop a more general mathematical framework to cope with the challenges posed by multilayer complex systems. In this paper, we introduce a tensorial framework to study multilayer networks, and we discuss the generalization of several important network descriptors and dynamical processes—including degree centrality, clustering coefficients, eigenvector centrality, modularity, von Neumann entropy, and diffusion—for this framework. We examine the impact of different choices in constructing these generalizations, and we illustrate how to obtain known results for the special cases of single-layer and multiplex networks. Our tensorial approach will be helpful for tackling pressing problems in multilayer complex systems, such as inferring who is influencing whom (and by which media) in multichannel social networks and developing routing techniques for multimodal transportation systems.

Abrupt transition in the structural formation of interconnected networks

Abstract: Real-world networks are rarely isolated. A model of an interdependent network of networks shows that an abrupt phase transition occurs when interconnections between independent networks are added. This study also suggests ways to minimize the danger of abrupt structural changes to real networks.

Selective bactericidal activity of nanopatterned superhydrophobic cicada Psaltoda claripennis wing surfaces

Abstract: The nanopattern on the surface of Clanger cicada (Psaltoda claripennis) wings represents the first example of a new class of biomaterials that can kill bacteria on contact based solely on its physical surface structure. As such, they provide a model for the development of novel functional surfaces that possess an increased resistance to bacterial contamination and infection. Their effectiveness against a wide spectrum of bacteria, however, is yet to be established. Here, the bactericidal properties of the wings were tested against several bacterial species, possessing a range of combinations of morphology and cell wall type. The tested species were primarily pathogens, and included Bacillus subtilis, Branhamella catarrhalis, Escherichia coli, Planococcus maritimus, Pseudomonas aeruginosa, Pseudomonas fluorescens, and Staphylococcus aureus. The wings were found to consistently kill Gram-negative cells (i.e., B. catarrhalis, E. coli, P. aeruginosa, and P. fluorescens), while Gram-positive cells (B. subtilis, P. maritimus, and S. aureus) remained resistant. The morphology of the cells did not appear to play any role in determining cell susceptibility. The bactericidal activity of the wing was also found to be quite efficient; 6.1 ± 1.5 × 106 P. aeruginosa cells in suspension were inactivated per square centimeter of wing surface after 30-min incubation. These findings demonstrate the potential for the development of selective bactericidal surfaces incorporating cicada wing nanopatterns into the design.

The pursuit of citizens' privacy: a privacy-aware smart city is possible

Abstract: Cities are growing steadily, and the process of urbanization is a common trend in the world. Although cities are getting bigger, they are not necessarily getting better. With the aim to provide citizens with a better place to live, a new concept of a city was born: the smart city. The real meaning of smart city is not strictly defined, but it has gained much attention, and many cities are taking action in order to be considered 'smart'. These smart cities, founded on the use of information and communication technologies, aim at tackling many local problems, from local economy and transportation to quality of life and e-governance. Although technology helps to solve many of these local problems, their ability to gather unprecedented amounts of information could endanger the privacy of citizens. In this article we identify a number of privacy breaches that can appear within the context of smart cities and their services. We leverage some concepts of previously defined privacy models and define the concept of citizens' privacy as a model with five dimensions: identity privacy, query privacy, location privacy, footprint privacy and owner privacy. By means of several examples of smart city services, we define each privacy dimension and show how existing privacy enhancing technologies could be used to preserve citizens' privacy.

A DFT study on the mechanism of the cycloaddition reaction of CO2 to epoxides catalyzed by Zn(salphen) complexes.

Abstract: The reaction mechanism for the Zn(salphen)/NBu4X (X=Br, I) mediated cycloaddition of CO2 to a series of epoxides, affording five-membered cyclic carbonate products has been investigated in detail by using DFT methods. The ring-opening step of the process was examined and the preference for opening at the methylene (Cβ) or methine carbon (Cα) was established. Furthermore, calculations were performed to clarify the reasons for the lethargic behavior of internal epoxides in the presence of the binary catalyst. Also, the CO2 insertion and the ring-closing steps have been explored for six differently substituted epoxides and proved to be significantly more challenging compared with the ring-opening step. The computational findings should allow the design and application of more efficient catalysts for organic carbonate formation.

Spectral properties of the Laplacian of multiplex networks.

Abstract: omez et al. [Phys. Rev. Lett. 110, 028701 (2013)], some of the authors proposed a framework for the study of diffusion processes in such networks. Here, we extend the previous framework to deal with general configurations in several layers of networks and analyze the behavior of the spectrum of the Laplacian of the full multiplex. We derive an interesting decoupling of the problem that allow us to unravel the role played by the interconnections of the multiplex in the dynamical processes on top of them. Capitalizing on this decoupling we perform an asymptotic analysis that allow us to derive analytical expressions for the full spectrum of eigenvalues. This spectrum is used to gain insight into physical phenomena on top of multiplex, specifically, diffusion processes and synchronizability.

Prevalence of metabolic syndrome in Brazilian adults: a systematic review

Abstract: Background The metabolic syndrome (MS) is a complex of risk factors for cardiovascular disease. This syndrome increases the risk of diabetes, cardiovascular disease and all-cause mortality. It has been demonstrated that the prevalence of MS is increasing worldwide. Despite the importance of MS in the context of metabolic and cardiovascular disease, few studies have described the prevalence of MS and its determinants in Latin America. The present study aims to assess studies describing the prevalence of MS in Brazil in order to determine the global prevalence of the syndrome and its components.

Compost benefits for agriculture evaluated by life cycle assessment. A review

Abstract: As compost use in agriculture increases, there is an urgent need to evaluate the specific environmental benefits and impacts as compared with other types of fertilizers and soil amendments. While the environmental impacts associated with compost production have been successfully assessed in previous studies, the assessment of the benefits of compost on plant and soil has been only partially included in few published works. In the present study, we reviewed the recent progresses made in the quantification of the positive effects associated to biowaste compost use on land by using life cycle assessment (LCA). A total of nine environmental benefits were identified in an extensive literature review and quantitative figures for each benefit were drawn and classified into short-, mid-, and long-term. The major findings are the following: (1) for nutrient supply and carbon sequestration, the review showed that both quantification and impact assessment could be performed, meaning that these two benefits should be regularly included in LCA studies. (2) For pest and disease suppression, soil workability, biodiversity, crop nutritional quality, and crop yield, although the benefits were proved, quantitative figures could not be provided, either because of lack of data or because the benefits were highly variable and dependent on specific local conditions. (3) The benefits on soil erosion and soil moisture could be quantitatively addressed, but suitable impact assessment methodologies were not available. (4) Weed suppression was not proved. Different research efforts are required for a full assessment of the benefits, apart from nutrient supply and carbon sequestration; additional impact categories—dealing with phosphorus resources, biodiversity, soil losses, and water depletion—may be needed for a comprehensive assessment of compost application. Several of the natural mechanisms identified and the LCA procedures discussed in the paper could be extensible to other organic fertilizers and compost from other feedstocks.

Land Use Regulation and Productivity - Land Matters: Evidence from a UK Supermarket Chain

Abstract: We use store-specific data for a UK supermarket chain to estimate the impact of planning on store output. Exploiting the variation in policies between England and other UK countries, we isolate the impact of Town Centre First (TCF) policies introduced in England. We find they directly reduced output by forcing stores onto less productive sites. We estimate TCF policies imposed a loss of output of 32 percent on a representative store opening after their rigorous implementation in 1996. Additionally, we show that, household numbers constant, more restrictive local authorities have fewer stores and lower chain sales within their areas.

The Warburg effect version 2.0: metabolic reprogramming of cancer stem cells.

Abstract: When fighting cancer, knowledge on metabolism has always been important. Today, it matters more than ever. The restricted cataloging of cancer genomes is quite unlikely to achieve the task of curing cancer, unless it is integrated into metabolic networks that respond to and influence the constantly evolving cancer stem cell (CSC) cellular states. Once the genomic era of carcinogenesis had pushed the 1920s Otto Warburg's metabolic cancer hypothesis into obscurity for decades, the most recent studies begin to support a new developing paradigm, in which the molecular logic behind the conversion of non-CSCs into CSCs can be better understood in terms of the "metabolic facilitators" and "metabolic impediments" that operate as proximate openings and roadblocks, respectively, for the transcriptional events and signal transduction programs that ultimately orchestrate the intrinsic and/or microenvironmental paths to CSC cellular states. Here we propose that a profound understanding of how human carcinomas install a proper "Warburg effect version 2.0" allowing them to "run" the CSCs' "software" programs should guide a new era of metabolo-genomic-personalized cancer medicine. By viewing metabolic reprogramming of CSCs as an essential characteristic that allows dynamic, multidimensional and evolving cancer populations to compete successfully for their expansion on the organism, we now argue that CSCs bioenergetics might be another cancer hallmark. A definitive understanding of metabolic reprogramming in CSCs may complement or to some extent replace, the 30-y-old paradigm of targeting oncogenes to treat human carcinomas, because it can be possible to metabolically create non-permissive or "hostile" metabotypes to prevent the occurrence of CSC cellular states with tumor- and metastasis-initiating capacity.

Ultrafast Deactivation Mechanism of the Excited Singlet in the Light-Induced Spin Crossover of [Fe(2,2 '-bipyridine)(3)](2+)

Abstract: The mechanism of the light- induced spin crossover of the (Fe- A3) 2 + complex (bpy = 2,2'-bipyri- dine) has been studied by combining accurate electronic-structure calcula- tions and time-dependent approaches to calculate intersystem-crossing rates. We investigate how the initially excited metal-to-ligand charge transfer (MLCT) singlet state deactivates to the final metastable high-spin state. Al- though ultrafast X-ray free-electron spectroscopy has established that the total timescale of this process is on the order of a few tenths of a picosecond, the details of the mechanisms still remain unclear. We determine all the intermediate electronic states along the pathway from low spin to high spin and give estimates for the deactivation times of the different stages. The calcu- lations result in a total deactivation time on the same order of magnitude as the experimentally determined rate and indicate that the complex can reach the final high-spin state by means of different deactivation chan- nels. The optically populated excited singlet state rapidly decays to a triplet state with an Fe d 6 (t 5e 1) configuration either directly or by means of a triplet MLCT state. This triplet ligand-field state could in principle decay directly to the final quintet state, but a much faster channel is provided by internal conversion to a lower-lying triplet state and subsequent intersystem crossing to the high-spin state. The deactivation rate to the low-spin ground state is much smaller, which is in line with the large quantum yield reported for the process.

Origin of the magnetic anisotropy in heptacoordinate Ni(II) and Co(II) complexes.

Abstract: The nature and magnitude of the magnetic anisotropy of heptacoordinate mononuclear Ni(II) and Co(II) complexes were investigated by a combination of experiment and ab initio calculations. The zero-field splitting (ZFS) parameters D of [Ni(H(2)DAPBH)(H(2)O)(2)](NO(3))(2)⋅2 H(2)O (1) and [Co(H(2)DAPBH)(H(2)O)(NO(3))](NO(3)) [2; H(2)DAPBH = 2,6-diacetylpyridine bis- (benzoyl hydrazone)] were determined by means of magnetization measurements and high-field high-frequency EPR spectroscopy. The negative D value, and hence an easy axis of magnetization, found for the Ni(II) complex indicates stabilization of the highest M(S) value of the S = 1 ground spin state, while a large and positive D value, and hence an easy plane of magnetization, found for Co(II) indicates stabilization of the M(S) = ±1/2 sublevels of the S = 3/2 spin state. Ab initio calculations were performed to rationalize the magnitude and the sign of D, by elucidating the chemical parameters that govern the magnitude of the anisotropy in these complexes. The negative D value for the Ni(II) complex is due largely to a first excited triplet state that is close in energy to the ground state. This relatively small energy gap between the ground and the first excited state is the result of a small energy difference between the d(xy) and d(x(2)-y(2)) orbitals owing to the pseudo-pentagonal-bipyramidal symmetry of the complex. For Co(II), all of the excited states contribute to a positive D value, which accounts for the large magnitude of the anisotropy for this complex.

Xenohormetic and anti-aging activity of secoiridoid polyphenols present in extra virgin olive oil: a new family of gerosuppressant agents.

Abstract: Aging can be viewed as a quasi-programmed phenomenon driven by the overactivation of the nutrient-sensing mTOR gerogene. mTOR-driven aging can be triggered or accelerated by a decline or loss of responsiveness to activation of the energy-sensing protein AMPK, a critical gerosuppressor of mTOR. The occurrence of age-related diseases, therefore, reflects the synergistic interaction between our evolutionary path to sedentarism, which chronically increases a number of mTOR activating gero-promoters (e.g., food, growth factors, cytokines and insulin) and the "defective design" of central metabolic integrators such as mTOR and AMPK. Our laboratories at the Bioactive Food Component Platform in Spain have initiated a systematic approach to molecularly elucidate and clinically explore whether the "xenohormesis hypothesis," which states that stress-induced synthesis of plant polyphenols and many other phytochemicals provides an environmental chemical signature that upregulates stress-resistance pathways in plant consumers, can be explained in terms of the reactivity of the AMPK/mTOR-axis to so-called xenohormetins. Here, we explore the AMPK/mTOR-xenohormetic nature of complex polyphenols naturally present in extra virgin olive oil (EVOO), a pivotal component of the Mediterranean style diet that has been repeatedly associated with a reduction in age-related morbid conditions and longer life expectancy. Using crude EVOO phenolic extracts highly enriched in the secoiridoids oleuropein aglycon and decarboxymethyl oleuropein aglycon, we show for the first time that (1) the anticancer activity of EVOO secoiridoids is related to the activation of anti-aging/cellular stress-like gene signatures, including endoplasmic reticulum (ER) stress and the unfolded protein response, spermidine and polyamine metabolism, sirtuin-1 (SIRT1) and NRF2 signaling; (2) EVOO secoiridoids activate AMPK and suppress crucial genes involved in the Warburg effect and the self-renewal capacity of "immortal" cancer stem cells; (3) EVOO secoiridoids prevent age-related changes in the cell size, morphological heterogeneity, arrayed cell arrangement and senescence-associated β-galactosidase staining of normal diploid human fibroblasts at the end of their proliferative lifespans. EVOO secoiridoids, which provide an effective defense against plant attack by herbivores and pathogens, are bona fide xenohormetins that are able to activate the gerosuppressor AMPK and trigger numerous resveratrol-like anti-aging transcriptomic signatures. As such, EVOO secoiridoids constitute a new family of plant-produced gerosuppressant agents that molecularly "repair" the aimless (and harmful) AMPK/mTOR-driven quasi-program that leads to aging and aging-related diseases, including cancer.

Frequency of nut consumption and mortality risk in the PREDIMED nutrition intervention trial

Abstract: Background: Prospective studies in non-Mediterranean populations have consistently related increasing nut consumption to lower coronary heart disease mortality. A small protective effect on all-cause and cancer mortality has also been suggested. To examine the association between frequency of nut consumption and mortality in individuals at high cardiovascular risk from Spain, a Mediterranean country with a relatively high average nut intake per person. Methods: We evaluated 7,216 men and women aged 55 to 80 years randomized to 1 of 3 interventions (Mediterranean diets supplemented with nuts or olive oil and control diet) in the PREDIMED (‘PREvencion con DIeta MEDiterranea’) study. Nut consumption was assessed at baseline and mortality was ascertained by medical records and linkage to the National Death Index. Multivariable-adjusted Cox regression and multivariable analyses with generalized estimating equation models were used to assess the association between yearly repeated measurements of nut consumption and mortality. Results: During a median follow-up of 4.8 years, 323 total deaths, 81 cardiovascular deaths and 130 cancer deaths occurred. Nut consumption was associated with a significantly reduced risk of all-cause mortality (P for trend 3 servings/week (32% of the cohort) had a 39% lower mortality risk (hazard ratio (HR) 0.61; 95% CI 0.45 to 0.83). A similar protective effect against cardiovascular and cancer mortality was observed. Participants allocated to the Mediterranean diet with nuts group who consumed nuts >3 servings/week at baseline had the lowest total mortality risk (HR 0.37; 95% CI 0.22 to 0.66). Conclusions: Increased frequency of nut consumption was associated with a significantly reduced risk of mortality in a Mediterranean population at high cardiovascular risk. Please see related commentary: http://www.biomedcentral.com/1741-7015/11/165.

Synthetically defined glycoprotein vaccines: current status and future directions

Abstract: Primary examples in vaccine design have shown good levels of carbohydrate-specific antibody generation when raised using extracted or fully synthetic capsular polysaccharide glycans covalently coupled to a protein carrier. Herein, we cover recent clinical developments of carbohydrate-based vaccines and describe how novel cutting-edge methodology for the total synthesis of oligosaccharides and for the precise placement of carbohydrates at pre-determined sites within a protein may be used to further improve the safety and efficacy of glycovaccines.

Mitochondrial Dysfunction: A Basic Mechanism in Inflammation-Related Non-Communicable Diseases and Therapeutic Opportunities

Abstract: Obesity is not necessarily a predisposing factor for disease. It is the handling of fat and/or excessive energy intake that encompasses the linkage of inflammation, oxidation, and metabolism to the deleterious effects associated with the continuous excess of food ingestion. The roles of cytokines and insulin resistance in excessive energy intake have been studied extensively. Tobacco use and obesity accompanied by an unhealthy diet and physical inactivity are the main factors that underlie noncommunicable diseases. The implication is that the management of energy or food intake, which is the main role of mitochondria, is involved in the most common diseases. In this study, we highlight the importance of mitochondrial dysfunction in the mutual relationships between causative conditions. Mitochondria are highly dynamic organelles that fuse and divide in response to environmental stimuli, developmental status, and energy requirements. These organelles act to supply the cell with ATP and to synthesise key molecules in the processes of inflammation, oxidation, and metabolism. Therefore, energy sensors and management effectors are determinants in the course and development of diseases. Regulating mitochondrial function may require a multifaceted approach that includes drugs and plant-derived phenolic compounds with antioxidant and anti-inflammatory activities that improve mitochondrial biogenesis and act to modulate the AMPK/mTOR pathway.

Generation of All-in-Focus Images by Noise-Robust Selective Fusion of Limited Depth-of-Field Images

Abstract: The limited depth-of-field of some cameras prevents them from capturing perfectly focused images when the imaged scene covers a large distance range. In order to compensate for this problem, image fusion has been exploited for combining images captured with different camera settings, thus yielding a higher quality all-in-focus image. Since most current approaches for image fusion rely on maximizing the spatial frequency of the composed image, the fusion process is sensitive to noise. In this paper, a new algorithm for computing the all-in-focus image from a sequence of images captured with a low depth-of-field camera is presented. The proposed approach adaptively fuses the different frames of the focus sequence in order to reduce noise while preserving image features. The algorithm consists of three stages: 1) focus measure; 2) selectivity measure; 3) and image fusion. An extensive set of experimental tests has been carried out in order to compare the proposed algorithm with state-of-the-art all-in-focus methods using both synthetic and real sequences. The obtained results show the advantages of the proposed scheme even for high levels of noise.

Long-term changes in leptin, chemerin and ghrelin levels following different bariatric surgery procedures: Roux-en-Y gastric bypass and sleeve gastrectomy.

Abstract: Different studies have evaluated changes in adipo/cytokine levels after bariatric surgery and have given conflicting results. The adipo/cytokines, leptin and chemerin, and the orexigenic hormone, ghrelin, have been shown to play a role in the regulation of metabolism and appetite. The aims of our study were to test the levels of these molecules after bariatric surgery and to compare the results between Roux-en-Y gastric bypass and laparoscopic sleeve gastrectomy. We analysed circulating levels of chemerin, ghrelin and leptin in 30 morbidly obese women (body mass index of >40 kg/m2). Subjects were studied at three time points: baseline (before the surgery started), and after 6 and 12 months. After surgery, chemerin (baseline, 95.03 ± 23.79; after 12 months, 76.80 ± 21.51; p = 0.034) and leptin levels (baseline, 248.17 ± 89.16; after 12 months, 63.85 ± 33.48; p < 0.001) were significantly lower than their baseline levels, whereas ghrelin was higher (baseline, 0.87 ± 0.38; after 12 months, 1.08 ± 0.31; p = 0.010). Fasting glucose, insulin and homeostasis model assessment of insulin resistance levels were markedly lower postoperatively. High-density lipoprotein levels moderately increased and triglyceride levels sharply decreased. There were no differences between the types of bariatric surgery in terms of weight reduction, general metabolic state or adipo/cytokine levels after surgery. Our study demonstrates a marked decrease in fasting leptin and chemerin levels, and an increase in ghrelin levels, after bariatric surgery-induced weight loss, independently of the type of surgery performed. Further studies are needed on the interrelation between the changes in the circulating levels of these molecules and the efficacy of the bariatric surgery procedures to induce the beneficial metabolic changes and to sustain body weight loss.

The anti-malarial chloroquine overcomes Primary resistance and restores sensitivity to Trastuzumab in HER2-positive breast cancer

Abstract: Autophagy may control the de novo refractoriness of HER2 gene-amplified breast carcinomas to the monoclonal antibody trastuzumab (Herceptin). Tumor cells originally obtained from a patient who rapidly progressed on trastuzumab ab initio display increased cellular levels of the LC3-II protein—a finding that correlates with increased numbers of autophagosomes—and decreased levels of the autophagy receptor p62/SQSTM1, a protein selectively degraded by autophagy. Trastuzumab-refractory cells are in a state of “autophagy addiction” because genetic ablation of autophagy-specific genes (ATG8, ATG5, ATG12) notably reduces intrinsic refractoriness to trastuzumab. When the anti-malarial lysosomotropic drug chloroquine impedes autophagic resolution of the accumulation of autophagolysosomes formed in the presence of trastuzumab, cells commit to die by apoptosis. Accordingly, combination treatment with trastuzumab and chloroquine radically suppresses tumor growth by > 90% in a tumor xenograft completely refractory to trastuzumab. Adding chloroquine to trastuzumab-based regimens may therefore improve outcomes among women with autophagy-addicted HER2-positive breast cancer.