Paths to synchronization on complex networks

The understanding of emergent collective phenomena in natural and social systems has driven the interest of scientists from different disciplines during decades. Among these phenomena, the synchronization of a set of interacting individuals or units has been intensively studied because of its ubiquity in the natural world. In this Letter, we show how for fixed coupling strengths local patterns of synchronization emerge differently in homogeneous and heterogeneous complex networks, driving the process towards a certain global synchronization degree following different paths. The dependence of the dynamics on the coupling strength and on the topology is unveiled. This study provides a new perspective and tools to understand this emerging phenomena.     

Effects of delayed recovery and nonuniform transmission on the spreading of diseases in complex networks

We investigate the effects of delaying the time to recovery (delayed recovery) and of nonuniform transmission on the propagation of diseases on structured populations. Through a mean-field approximation and large-scale numerical simulations, we find that postponing the transition from the infectious to the recovered states can largely reduce the epidemic threshold, therefore promoting the outbreak of epidemics. On the other hand, if we consider nonuniform transmission among individuals, the epidemic threshold increases, thus inhibiting the spreading process. When both mechanisms are at work, the latter might prevail, hence resulting in an increase of the epidemic threshold with respect to the standard case, in which both ingredients are absent. Our findings are of interest for a better understanding of how diseases propagate on structured populations and to a further design of efficient immunization strategies.     

Effect of iron salt on the color removal of water containing the azo-dye reactive blue 69 using photo-assisted Fe(II)/H2O2 and Fe(III)/H2O2 systems

The effect of chloride, sulfate and nitrate anions on the color removal of water containing the azo-dye reactive blue 69 (RB69) in acidic solution, by using photo-assisted Fenton process with Fe(II)/H₂O₂ and Fe(III)/H₂O₂ systems was investigated. Experiments were conducted in a batch reactor irradiated during 5 h with a domestic 15 W lamp with emission in the visible spectra. Experimental results showed color disappearance in the first 5 min of reaction in the photo-assisted process for all of the different salts, greatly enhancing the reaction rate with respect to the corresponding systems under dark conditions. The exception of the general trend was the Fe₂(SO₄)₃/H₂O₂/UV system, where the decolorization process is slower probably because the oxidative species generated by rupture of Fe(III)–peroxo complexes are less reactive. Total organic matter depletion and mineralization of the effluent were also tested during the experimental runs by means of total organic carbon (TOC) showing that, for most of the photo-assisted experiments high mineralization was reached after 3 h of reaction.     

Explosive synchronization transitions in scale-free networks

Explosive collective phenomena have attracted much attention since the discovery of an explosive percolation transition. In this Letter, we demonstrate how an explosive transition shows up in the synchronization of scale-free networks by incorporating a microscopic correlation between the structural and the dynamical properties of the system. The characteristics of the explosive transition are analytically studied in a star graph reproducing the results obtained in synthetic networks. Our findings represent the first abrupt synchronization transition in complex networks and provide a deeper understanding of the microscopic roots of explosive critical phenomena.     

Scaling breakdown in flow fluctuations on complex networks

We propose a model of random diffusion to investigate flow fluctuations in complex networks. We derive an analytical law showing that the dependence of fluctuations with the mean traffic in a network is ruled by the delicate interplay of three factors, respectively, of dynamical, topological and statistical nature. In particular, we demonstrate that the existence of a power-law scaling characterizing the flow fluctuations at every node in the network cannot be claimed. We show the validity of this scaling breakdown under quite general topological and dynamical situations by means of different traffic algorithms and by analyzing real data.     

Evolution of microscopic and mesoscopic synchronized patterns in complex networks

Previous studies about synchronization of Kuramoto oscillators in complex networks have shown how local patterns of synchronization emerge differently in homogeneous and heterogeneous topologies. The main difference between the paths to synchronization in both topologies is rooted in the growth of the largest connected component of synchronized nodes when increasing the coupling between the oscillators. Nevertheless, a recent study focusing on this same phenomenon has claimed the contrary, stating that the statistical distribution of synchronized clusters for both types of networks is similar. Here we provide extensive numerical evidences that confirm the original claims, namely, that the microscopic and mesoscopic dynamics of the synchronized patterns indeed follow different routes.     

Solid phase synthesis of novel α/β‐tetrapeptides,electrospray ionization mass spectrometric evaluation of their metal cation complexation behavior,and conformational analysis using density functional theory (DFT)

Thirty‐four novel α/β‐tetrapeptides ( 1–34 ) have been prepared employing solid‐phase and in‐parallel synthetic protocols. α/β ‐Tetrapeptides 1 – 34 were prepared by a combination of three α‐amino acid residues (alanine (Ala), phenylalanine (Phe), and isoleucine (Ile)) with one β‐amino acid residue (β³‐homophenylglycine). The corresponding complexes of several selected α/β‐tetrapeptides with alkali, alkaline earth, and transition metals, [tP + M⁺], were evaluated using ion electrospray‐ionization mass spectrometry (ESI‐MS). According to the results from analysis of mixtures, we can conclude that the position of the β‐amino acid is determinant in the affinity toward different metal cations. Computational modeling (DFT, B3LYP 6‐311++G) provided useful information regarding the most likely coordination sites of the metal ions on the receptor α/β‐tetrapeptide 12 , HO₂C‐α‐Phe‐α‐Phe‐α‐Ile‐β³‐hPhg‐NH₂, as well as the conformational changes induced by the metal upon [tP + M⁺] complex formation. Copyright © 2008 John Wiley & Sons, Ltd.     

Unveiling the G4-PAMAM capacity to bind and protect Ang-(1-7) bioactive peptide by molecular dynamics simulations

Angiotensin-(1-7) re-balance the Renin-Angiotensin system affected during several pathologies, including the new COVID-19; cardiovascular diseases; and cancer. However, one of the limiting factors for its therapeutic use is its short half-life, which might be overcome with the use of dendrimers as nanoprotectors. In this work, we addressed the following issues: (1) the capacity of our computational protocol to reproduce the experimental structural features of the (hydroxyl/amino)-terminated PAMAM dendrimers as well as the Angiotensin-(1-7) peptide; (2) the coupling of Angiotensin-(1-7) to (hydroxyl/amino)-terminated PAMAM dendrimers in order to gain insight into the structural basis of its molecular binding; (3) the capacity of the dendrimers to protect Angiotensin-(1-7); and (4) the effect of pH changes on the peptide binding and covering. Our Molecular-Dynamics/Metadynamics-based computational protocol well modeled the structural experimental features reported in the literature and our double-docking approach was able to provide reasonable initial structures for stable complexes. At neutral pH, PAMAM dendrimers with both terminal types were able to interact stably with 3 Angiotensin-(1-7) peptides through ASP1, TYR4 and PRO7 key amino acids. In general, they bind on the surface in the case of the hydroxyl-terminated compact dendrimer and in the internal zone in the case of the amino-terminated open dendrimer. At acidic pH, PAMAM dendrimers with both terminal groups are still able to interact with peptides either internalized or in its periphery, however, the number of contacts, the percentage of coverage and the number of hydrogen bonds are lesser than at neutral pH, suggesting a state for peptide release. In summary, amino-terminated PAMAM dendrimer showed slightly better features to bind, load and protect Angiotensin-(1-7) peptides.

     

Emergence of Influential Spreaders in Modified Rumor Models

The burst in the use of online social networks over the last decade has provided evidence that current rumor spreading models miss some fundamental ingredients in order to reproduce how information is disseminated. In particular, recent literature has revealed that these models fail to reproduce the fact that some nodes in a network have an influential role when it comes to spread a piece of information. In this work, we introduce two mechanisms with the aim of filling the gap between theoretical and experimental results. The first model introduces the assumption that spreaders are not always active whereas the second model considers the possibility that an ignorant is not interested in spreading the rumor. In both cases, results from numerical simulations show a higher adhesion to real data than classical rumor spreading models. Our results shed some light on the mechanisms underlying the spreading of information and ideas in large social systems and pave the way for more realistic diffusion models.     

Synchronization in complex networks

Synchronization processes in populations of locally interacting elements are the focus of intense research in physical, biological, chemical, technological and social systems. The many efforts devoted to understanding synchronization phenomena in natural systems now take advantage of the recent theory of complex networks. In this review, we report the advances in the comprehension of synchronization phenomena when oscillating elements are constrained to interact in a complex network topology. We also take an overview of the new emergent features coming out from the interplay between the structure and the function of the underlying patterns of connections. Extensive numerical work as well as analytical approaches to the problem are presented. Finally, we review several applications of synchronization in complex networks to different disciplines: biological systems and neuroscience, engineering and computer science, and economy and social sciences.