Mean first-passage times for solvated LiCN isomerization at intermediate to high temperatures.

The behavior of a particle in a solvent has been framed using stochastic dynamics since the early theory of Kramers. A particle in a chemical reaction reacts slower in a diluted solvent because of the lack of energy transfer via collisions. The flux-over-population reaction rate constant rises with increasing density before falling again for very dense solvents. This Kramers turnover is observed in this paper at intermediate and high temperatures in the backward reaction of the LiNC ⇌ LiCN isomerization via Langevin dynamics and mean first-passage times (MFPTs). It is in good agreement with the Pollak-Grabert-Hänggi (PGH) reaction rates at lower temperatures. Furthermore, we find a square root behavior of the reaction rate at high temperatures and have made direct comparisons of the methods in the intermediate- and high-temperature regimes, all suggesting increased ranges in accuracy of both the PGH and MFPT approaches.

A Multi-Scale Entropy Approach to Study Collapse and Anomalous Diffusion in Shared Mobility Systems.

In this paper, we study the phenomena of collapse and anomalous diffusion in shared mobility systems. In particular, we focus on a fleet of vehicles moving through a stations network and analyse the effect of self-journeys in system stability, using a mathematical simplex under stochastic flows. With a birth-death process approach, we find analytical upper bounds for random walk and we monitor how the system collapses by super diffusing under different randomization conditions. Using the multi-scale entropy metric, we show that real data from a bike-sharing fleet in the city of Salamanca (Spain) present a complex behaviour with more of a 1/f signal than a disorganized system with a white noise signal.

Influence of external driving on decays in the geometry of the LiCN isomerization.

The framework of transition state theory relies on the determination of a geometric structure identifying reactivity. It replaces the laborious exercise of following many trajectories for a long time to provide chemical reaction rates and pathways. In this paper, recent advances in constructing this geometry even in time-dependent systems are applied to the LiCN ⇌ LiNC isomerization reaction driven by an external field. We obtain decay rates of the reactant population close to the transition state by exploiting local properties of the dynamics of trajectories in and close to it. We find that the external driving has a large influence on these decay rates when compared to the non-driven isomerization reaction. This, in turn, provides renewed evidence for the possibility of controlling chemical reactions, like this one, through external time-dependent fields.

Patterns of human and bots behaviour on Twitter conversations about sustainability.

Sustainability is an issue of worldwide concern. Twitter is one of the most popular social networks, which makes it particularly interesting for exploring opinions and characteristics related to issues of social preoccupation. This paper aims to gain a better understanding of the activity related to sustainability that takes place on twitter. In addition to building a mathematical model to identify account typologies (bot and human users), different behavioural patterns were detected using clustering analysis mainly in the mechanisms of posting tweets and retweets). The model took as explanatory variables, certain characteristics of the user's profile and her/his activity. A lexicon-based sentiment analysis in the period from 2006 to 2022 was also carried out in conjunction with a keyword study based on centrality metrics. We found that, in both bot and human users, messages showed mostly a positive sentiment. Bots had a higher percentage of neutral messages than human users. With respect to the used keywords certain commonalities but also slight differences between humans and bots were identified.

Information transfer dynamics in fixed-pathways networks.

Most complex technological networks are defined in such a way that their global properties are manifested at a dynamical level. An example of this is when internal dynamical processes are constrained to predefined pathways, without the possibility of alternate routes. For instance, large corporation software networks, where several flow processes take place, are typically routed along specific paths. In this work, we propose a model to describe the global characteristics of this kind of processes, where the dynamics depends on the state of the nodes, represented by two possibilities: responsive or blocked. We present numerical simulations that show rich global behavior with unexpected emerging properties. In particular, we show that two different regimes appear as a function of the total network load. Each regime is characterized by developing either a unimodal or a bimodal distribution for the density of responsive nodes, directly related to global efficiency. We provide a detailed explanation for the main characteristics of our results as well as an analysis of the implications for real technological systems.

Impact of individual actions on the collective response of social systems.

In a social system individual actions have the potential to trigger spontaneous collective reactions. The way and extent to which the activity (number of actions-A) of an individual causes or is connected to the response (number of reactions-R) of the system is still an open question. We measure the relationship between activity and response with the distribution of efficiency, a metric defined as [Formula: see text]. Generalizing previous results, we show that the efficiency distribution presents a universal structure in three systems of different nature: Twitter, Wikipedia and the scientific citations network. To understand this phenomenon, we develop a theoretical framework composed of three minimal statistical models that contemplate different levels of dependence between A and R. The models not only are able to reproduce the empirical activity-response data but also can serve as baselines or null models for more elaborated and domain-specific approaches.

Relationship between ideology and language in the Catalan independence context.

Political polarization generates strong effects on society, driving controversial debates and influencing the institutions. Territorial disputes are one of the most important polarized scenarios and have been consistently related to the use of language. In this work, we analyzed the opinion and language distributions of a particular territorial dispute around the independence of Catalonia through Twitter data. We infer a continuous opinion distribution by applying a model based on retweet interactions, previously detecting elite users with fixed and antagonist opinions. The resulting distribution presents a mainly bimodal behavior with an intermediate third pole that shows a less polarized society with the presence of not only antagonist opinions. We find that the more active, engaged and influential users hold more extreme positions. Also we prove that there is a clear relationship between political positions and the use of language, showing that against independence users speak mainly Spanish while pro-independence users speak Catalan and Spanish almost indistinctly. However, the third pole, closer in political opinion to the pro-independence pole, behaves similarly to the against-independence one concerning the use of language.

Global patterns of synchronization in human communications.

Social media are transforming global communication and coordination and provide unprecedented opportunities for studying socio-technical domains. Here we study global dynamical patterns of communication on Twitter across many scales. Underlying the observed patterns is both the diurnal rotation of the Earth, day and night, and the synchrony required for contingency of actions between individuals. We find that urban areas show a cyclic contraction and expansion that resembles heartbeats linked to social rather than natural cycles. Different urban areas have characteristic signatures of daily collective activities. We show that the differences detected are consistent with a new emergent global synchrony that couples behaviour in distant regions across the world. Although local synchrony is the major force that shapes the collective behaviour in cities, a larger-scale synchronization is beginning to occur.

[Prospective validation of a pharmacogenetic test: the PREDICT-1 study]. / Validación prospectiva de un test farmacogenético: estudio PREDICT-1.

The aim of the PREDICT-1 study was to determine the clinical utility of the pharmacogenetic test identifying HLA-B*5701 to reduce the incidence of hypersensitivity reaction to abacavir, diagnosed clinically and with immunological confirmation, as well as to reduce unwarranted withdrawal of this drug. In the PREDICT-1 study, 1,956 patients were randomized to be screened for HLA-B*5701 before starting abacavir treatment (excluding participants who were HLA-B*5701-positive) or to receive abacavir without knowing their HLA-B*5701 status under conventional clinical monitoring. The prevalence of HLA-B*5701-positivity was 5.7%. In the group that underwent prospective screening, no hypersensitivity tests with immunological confirmation (by positive epicutaneous patch testing) were observed compared with an incidence of 2.7% in the group undergoing standard follow-up. The sensitivity of prospective screening in predicting immunologically confirmed hypersensitivity reaction to abacavir was 100% and its negative predictive value was 100%. The number of clinically suspected hypersensitivity reactions to abacavir was also lower in the screened group (3.4% versus 7.8% in the group undergoing conventional follow-up). The sensitivity of epicutaneous patch testing for immunological confirmation was 100%.