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Publication Multiple Local and Global Bifurcations and Their Role in Quorum Sensing Dynamics(2025-01-14)Quorum sensing governs bacterial communication, playing a crucial role in regulating population behaviour. We propose a mathematical model that uncovers chaotic dynamics within quorum sensing networks, highlighting challenges to predictability. The model explores interactions between autoinducers and two bacterial subtypes, revealing oscillatory dynamics in both a constant autoinducer sub-model and the full three-component model. In the latter case, we find that the complicated dynamics can be explained by the presence of homoclinic Shilnikov bifurcations. We employed a combination of normal form analysis and numerical continuation methods to analyse the system. - Some of the metrics are blocked by yourconsent settings
Publication A synthetic approach towards drug modification: 2-hydroxy-1-naphthaldehyde based imine-zwitterion preparation, single-crystal study, Hirshfeld surface analysis, and computational investigation(Royal Society of Chemistry (RSC), 2024)The present study focuses on the modification of primary amine–functionalized drugs, namely pyrimethamine and 4-amino-N-(2,3-dihydrothiazol-2-yl)benzenesulfonamide, through a condensation reaction with 2-hydroxy-1-naphthaldehyde in methanol, yielding two new organic zwitterionic compounds: (E)-1-(((4-(N-(2,3-dihydrothiazol-2-yl)sulfamoyl)phenyl)iminio)methyl)naphthalen-2-olate (DSPIN) and (E)-1-(((4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl)iminio)methyl)naphthalen-2-olate (ACPIN). The crystal structures of both compounds were confirmed as imine-based zwitterionic products by single-crystal X-ray diffraction (SC-XRD), revealing stabilization through various noncovalent interactions. Supramolecular assembly was investigated using Hirshfeld surface analysis, while void analysis was employed to predict the mechanical response of the crystals. Density Functional Theory (DFT) calculations showed good agreement with experimental structural parameters. Frontier molecular orbital (FMO) analysis indicated that the HOMO–LUMO gap of DSPIN is 0.15 eV smaller than that of ACPIN, attributed to HOMO destabilization and LUMO stabilization in DSPIN. Charge distribution analysis suggested the presence of intramolecular hydrogen bonding, as well as intermolecular hydrogen bonds, dipole–dipole, and dispersion interactions. - Some of the metrics are blocked by yourconsent settings
Publication A Star Network of Bipolar Memristive Devices Enables Sensing and Temporal Computing(MDPI AG, 2024-01-14)Temporal (race) computing schemes rely on temporal memories, where information is represented with the timing of signal edges. Standard digital circuit techniques can be used to capture the relative timing characteristics of signal edges. However, the properties of emerging device technologies could be particularly exploited for more efficient circuit implementations. Specifically, the collective dynamics of networks of memristive devices could be leveraged to facilitate time-domain computations in emerging memristive memories. To this end, this work studies the star interconnect configuration of bipolar memristive devices. Through circuit simulations using a behavioral model of voltage-controlled bipolar memristive devices, we demonstrated the suitability of such circuits in two different contexts, namely sensing and “rank-order” coding. We particularly analyzed the conditions that the employed memristive devices should meet to guarantee the expected operation of the circuit and the possible effects of device variability in the storage and the reproduction of the information in arriving signal edges. The simulation results in LTSpice validate the correct operation and confirm the promising application prospects of such simple circuit structures, which, we show, natively exist in the crossbar geometry. Therefore, the star interconnect configuration could be considered for temporal computations inside resistive memory (ReRAM) arrays. - Some of the metrics are blocked by yourconsent settings
Publication A snapshot of turbulence in the Northeastern Magellan Strait(Springer Science and Business Media LLC, 2024-05-09)First-ever measurements of the turbulent kinetic energy (TKE) dissipation rate in the northeastern Strait of Magellan (Segunda Angostura region), obtained in March 2019, are presented. During the microstructure measurements, the magnitude of the reversing tidal current ranged between 0.8 and 1.2 m s⁻¹. The probability distribution of the TKE dissipation rate in the water interior above the bottom boundary layer was lognormal, with a high median value of ε_MS(med) = 1.2 × 10⁻⁶ W kg⁻¹. Strong vertical shear, ranging from 1 × 10⁻² to 2 × 10⁻² s⁻¹, in the weakly stratified water interior resulted in a subcritical gradient Richardson number (Ri < 10⁻¹–10⁻²). In the bottom boundary layer (BBL), both the vertical shear and the TKE dissipation rate decreased exponentially with distance from the seafloor (ξ), leading to a turbulent regime characterized by an eddy viscosity K_M ≈ 10⁻³ m² s⁻¹. This parameter varied with time and location, while remaining independent of the vertical coordinate in the upper part of the BBL (for ξ ≳ 2 m above the bottom). - Some of the metrics are blocked by yourconsent settings
Publication A search for top-squark pair production, in final states containing a top quark, a charm quark and missing transverse momentum, using the 139 fb?1 of pp collision data collected by the ATLAS detector(Springer Science and Business Media LLC, 2024-07-26)This paper presents a search for top-squark pair production in final states with a top quark, a charm quark and missing transverse momentum. The data were collected with the ATLAS detector during LHC Run 2 and correspond to an integrated luminosity of 139 fb⁻¹ of proton–proton collisions at a centre-of-mass energy of √s = 13 TeV. The analysis is motivated by an extended Minimal Supersymmetric Standard Model featuring a non-minimal flavour violation in the second- and third-generation squark sector. The top squark in this model has two possible decay modes, either t̃₁ → t χ̃⁰₁ or t̃₁ → c χ̃⁰₁, where the χ̃⁰₁ is undetected. The analysis is optimised assuming that both of the decay modes are equally probable, leading to the most likely final state of t c + Eₜᵐⁱˢˢ. Good agreement is found between the Standard Model expectation and the data in the search regions. Exclusion limits at 95% confidence level are obtained in the m(t̃₁) vs. m(χ̃⁰₁) plane and, in addition, limits on the branching ratio of the t̃₁ → c χ̃⁰₁ decay as a function of m(t̃₁) are also produced. Top-squark masses of up to 800 GeV are excluded for scenarios with light neutralinos, and top-squark masses up to 600 GeV are excluded in scenarios where the neutralino and the top squark are almost mass-degenerate.
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Publication Attribute Relevance Score: A Novel Measure for Identifying Attribute Importance(2024-11-09)This study introduces a novel measure for evaluating attribute relevance, specifically designed to accurately identify attributes that are intrinsically related to a phenomenon, while being sensitive to the asymmetry of those relationships and noise conditions. Traditional variable selection techniques, such as filter and wrapper methods, often fall short in capturing these complexities. Our methodology, grounded in decision trees but extendable to other machine learning models, was rigorously evaluated across various data scenarios. The results demonstrate that our measure effectively distinguishes relevant from irrelevant attributes and highlights how relevance is influenced by noise, providing a more nuanced understanding compared to established methods such as Pearson, Spearman, Kendall, MIC, MAS, MEV, GMIC, and 𝑃ℎ𝑖𝑘 This research underscores the importance of phenomenon-centric explainability, reproducibility, and robust attribute relevance evaluation in the development of predictive models. By enhancing both the interpretability and contextual accuracy of models, our approach not only supports more informed decision making but also contributes to a deeper understanding of the underlying mechanisms in diverse application domains, such as biomedical research, financial modeling, astronomy, and others. - Some of the metrics are blocked by yourconsent settings
Publication Toward development of a vocal fold contact pressure probe: Bench-Top validation of a Dual-Sensor Probe using excised human larynx models(2019-10-01)A critical element in understanding voice production mechanisms is the characterization of vocal fold collision, which is widely considered a primary etiological factor in the development of common phonotraumatic lesions such as nodules and polyps. This paper describes the development of a transoral, dual-sensor intraglottal/subglottal pressure probe for the simultaneous measurement of vocal fold collision and subglottal pressures during phonation using two miniature sensors positioned 7.6 mm apart at the distal end of a rigid cannula. Proof-of-concept testing was performed using excised whole-mount and hemilarynx human tissue aerodynamically driven into self-sustained oscillation, with systematic variation of the superior–inferior positioning of the vocal fold collision sensor. In the hemilarynx experiment, signals from the pressure sensors were synchronized with an acoustic microphone, a tracheal-surface accelerometer, and two high-speed video cameras recording at 4000 frames per second for top–down and en face imaging of the superior and medial vocal fold surfaces, respectively. As expected, the intraglottal pressure signal exhibited an impulse-like peak when vocal fold contact occurred, followed by a broader peak associated with intraglottal pressure build-up during the de-contacting phase. As subglottal pressure was increased, the peak amplitude of the collision pressure increased and typically reached a value below that of the average subglottal pressure. Results provide important baseline vocal fold collision pressure data with which computational models of voice production can be developed and in vivo measurements can be referenced. - Some of the metrics are blocked by yourconsent settings
Publication A Track-Based Conference Scheduling Problem(MDPI AG, 2022-11-01)The scheduling of conferences is a challenging task that aims at creating successful conference programs that fulfill an often wide variety of requirements. In this work, we focus on the problem of generating conference programs that organize talks into tracks: subevents within the conference that are group-related talks. The main contributions of this work can be organized into three scopes: literature review, problem formulation and benchmarking, and heuristic approach. We provide a literature review of conference scheduling approaches that organizes these approaches within a timetabling problem taxonomy. We also describe the main characteristics of the conference scheduling approaches in the literature and propose a classification scheme for such works. To study the scheduling of conferences that include tracks, we introduce the definition of the track-based conference scheduling problem, a new problem that incorporates tracks in the conference program. We provide a binary integer linear programming model formulation for this problem. Our formulation considers the availability of presenters, chairs, and organizers, the avoidance of parallel tracks, and best paper sessions, among other classical constraints of conference scheduling problems. Additionally, based on our formulation, we propose a simple instance-generation procedure that we apply to generate a set of artificial instances. We complete our work by proposing a heuristic method based on the simulated annealing metaheuristic for solving the track-based conference scheduling problem. We compare the results obtained by our heuristic approach and the Gurobi solver regarding execution time and solution quality. The results show that the proposed heuristic method is a practical approach for tackling the problem as it obtains solutions in a fraction of the time required by Gurobi, while Gurobi is also unable to obtain an optimal solution in the defined time for a subset of the instances. Finally, from a general perspective, this work provides a new conference scheduling problem formulation that can be extended in the future to include other features common in conference programs. Moreover, thanks to the instance generation procedure, this formulation can be used as a benchmark for designing and comparing new solving approaches. © 2022 by the authors - Some of the metrics are blocked by yourconsent settings
Publication A hybrid econometrics and machine learning based modeling of realized volatility of natural gas(Springer Science and Business Media LLC, 2024-01-29)Determining which variables affect price realized volatility has always been challenging. This paper proposes to explain how financial assets influence realized volatility by developing an optimal day-to-day forecast. The methodological proposal is based on using the best econometric and machine learning models to forecast realized volatility. In particular, the best forecasting from heterogeneous autoregressive and long short-term memory models are used to determine the influence of the Standard and Poor's 500 index, euro-US dollar exchange rate, price of gold, and price of Brent crude oil on the realized volatility of natural gas. These financial assets influenced the realized volatility of natural gas in 87.4% of the days analyzed; the euro-US dollar exchange rate was the primary financial asset and explained 40.1% of the influence. The results of the proposed daily analysis differed from those of the methodology used to study the entire period. The traditional model, which studies the entire period, cannot determine temporal effects, whereas the proposed methodology can. The proposed methodology allows us to distinguish the effects for each day, week, or month rather than averages for entire periods, with the flexibility to analyze different frequencies and periods. This methodological capability is key to analyzing influences and making decisions about realized volatility. - Some of the metrics are blocked by yourconsent settings
Publication Coordination of distributed model predictive controllers using price-driven coordination and sensitivity analysis(2013-01-01)In this paper, a coordination control algorithm based on hierarchical scheme is presented to coordinate several non-linear model predictive controllers (NMPC) working in parallel, with an upper layer, where a price-driven coordination technique is used to drive the controllers in such a way that some global constraints are satisfied. To coordinate the lower layers, it is used a price-adjustment algorithm based on Newton's method, in which a reformulation of Fiacco's work is used in order to obtain the sensitivity analysis for a nonlinear system no matter the set of active constraints. The efficiency of the scheme is evaluated using a simulation of a four-tank benchmark.
