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2025 Articolo in rivista open access

AN INTEGRO-DIFFERENTIAL MODEL OF CADMIUM YELLOW PHOTODEGRADATION

Many paintings from the 19th century have exhibited signs of fading and discoloration, often linked to cadmium yellow, a pigment widely used by artists during that time. In this work, we develop a mathematical model of the cadmium sulfide photo catalytic reaction responsible for these damages. By employing nonlo cal integral operators, we capture the interplay between chemical processes and environmental factors, offering a detailed representation of the degradation mechanisms. Furthermore, we present a second order positivity-preserving numerical method designed to accurately simulate the phenomenon and ensure reliable predictions across different scenarios, along with a comprehensive sensitivity analysis of the model.

integro-differential models photochemical reactions cultural heritage positivity-preserving numerical methods
2024 Articolo in rivista open access

MICROSCOPIC, KINETIC AND HYDRODYNAMIC HYBRID MODELS OF COLLECTIVE MOTIONS WITH CHEMOTAXIS: A NUMERICAL STUDY

A general class of hybrid models has been introduced recently, gathering the advantages of multiscale descriptions. Concerning biological applications, the particular coupled structure fits to collective cell migrations and pattern formation phenomena due to intercellular and chemotactic stimuli. In this context, cells are modeled as discrete entities and their dynamics are given by ODEs, while the chemical signal influencing the motion is considered as a continuous signal which solves a diffusive equation. From the analytical point of view, this class of models has been recently proved to have a mean-field limit in the Wasserstein distance towards a system given by the coupling of a Vlasov-type equation with the chemoattractant equation. Moreover, a pressureless nonlocal Euler-type system has been derived for these models, rigorously equivalent to the Vlasov one for monokinetic initial data. For applications, the monokinetic assumption is quite strong and far from a real experimental setting. The aim of this paper is to introduce a numerical approach to the hybrid coupled structure at the different scales, investigating the case of general initial data. Several scenarios will be presented, aiming at exploring the role of the different terms on the overall dynamics. Finally, the pressureless nonlocal Euler-type system is generalized by means of an additional pressure term.

chemotaxis hybrid systems hydrodynamic model mean-field limit numerical simulations
2024 Articolo in rivista open access

A Model for Membrane Degradation Using a Gelatin Invadopodia Assay

Ciavolella G. ; Ferrand N. ; Sabbah M. ; Perthame B. ; Natalini R.

One of the most crucial and lethal characteristics of solid tumors is represented by the increased ability of cancer cells to migrate and invade other organs during the so-called metastatic spread. This is allowed thanks to the production of matrix metalloproteinases (MMPs), enzymes capable of degrading a type of collagen abundant in the basal membrane separating the epithelial tissue from the connective one. In this work, we employ a synergistic experimental and mathematical modelling approach to explore the invasion process of tumor cells. A mathematical model composed of reaction-diffusion equations describing the evolution of the tumor cells density on a gelatin substrate, MMPs enzymes concentration and the degradation of the gelatin is proposed. This is completed with a calibration strategy. We perform a sensitivity analysis and explore a parameter estimation technique both on synthetic and experimental data in order to find the optimal parameters that describe the in vitro experiments. A comparison between numerical and experimental solutions ends the work.

Finite difference methods Parameter estimation Reaction-diffusion equations Sensitivity analysis Tumour degradation and invasion models
2023 Articolo in rivista open access

A nonlinear model for marble sulphation including surface rugosity and mechanical damage

Bonetti E ; Cavaterra C ; Freddi F ; Grasselli M ; Natalini R

Here we propose and analyze a mathematical model that aims to describe the marble sulphation process occurring in a given material. The model accounts for rugosity as well as for damaging effects. This model is characterized by some technical difficulties that seem hard to overcome from a theoretical viewpoint. Therefore, we introduce some physically reasonable modifications in order to establish the existence of a suitable notion of solution on a given time interval. Numerical simulations are presented and discussed, also in view of further research.

cultural heritage chemical damage mechanical damage
2023 Contributo in volume (Capitolo o Saggio) open access

Applied Mathematics Tools in Digital Transformation

Digital transformation is a process that companies start with different purposes. Once an enterprise embarks on a digital transformation process it translates all its business processes (or, at least, part of them) into a digital replica. Such a digital replica, the so-called digital twin, can be described by Mathematical Science tools allowing cost reduction on industrial processes, faster time-to-market of new products and, in general, an increase of competitive advantage for the company. Digital twin is a descriptive or predictive model of a given industrial process or product that is a valuable tool for business management, both in planning--because it can give different scenario analysis--and in managing the daily operations; moreover, it permits optimization of product and process operations. We present widespread applied mathematics tools that can help this modeling process, along with some successful cases.

Data Mining; Digital Modeling Simulation Optimization (MSO); Numerical Linear Algebra; Scientific Machine Learning;
2023 Articolo in rivista open access

The Mean-Field Limit for Hybrid Models of Collective Motions with Chemotaxis

Roberto Natalini ; Thierry Paul

In this paper we study a general class of hybrid mathematical models of collective motions of cells under the influence of chemical stimuli. The models are hybrid in the sense that cells are discrete entities given by ODEs, while the chemoattractant is considered as a continuous signal which solves a diffusive equation. For this model we prove the mean-field limit in the Wasserstein distance to a system given by the coupling of a Vlasov-type equation with the chemoattractant equation. Our approach and results are not based on empirical measures but rather on marginals of a large number of individuals densities, and we show the limit with explicit bounds by proving also existence and uniqueness for the limit system. In the monokinetic case we derive a new pressureless nonlocal Euler-type model with chemotaxis.

mean-field limit Vlasov equations Wasserstein topology chemotaxis
2023 Contributo in volume (Capitolo o Saggio) restricted access

Merging On-chip and In-silico Modelling for Improved Understanding of Complex Biological Systems

Francesca Romana Bertani ; Gabriella Bretti ; Luca Businaro ; Adele De Ninno ; Annamaria Gerardino ; Roberto Natalini

In recent years an increasing interest is registered in the direction of developing techniques to combine experimental data and mathematical models, in order to produce systems, i.e., in silico models, whose solutions could reproduce and predict experimental outcomes. Indeed, the success of informed models is mainly due to the consistent improvements in computational abilities of the machines and in imaging techniques that allow a wider access to high spatial and temporal resolution data. Here we present an interdisciplinary work in the framework of Organs-on-chip (OoC) technology, and, more precisely, in Canceron-Chip (CoC) technology.

mathematical models cancer-on-chip numerical algorithms biomedical applications parameter estimation
2023 Contributo in volume (Capitolo o Saggio) restricted access

Forecasting Damage and Consolidation: Mathematical Models of Reacting Flows in Porous Media

In this paper we present a survey about a series of works developed in the last 20 years, with our group, on chemical aggression of stone artifacts. Here we describe the modelling of different phenomena responsible for exterior and internal degradation of porous materials, such as the evolution of gypsum crust in marble stones, the sodium sulphate crystallization inside porous stone (masonry brick), or the effect of injection of consolidants in stones. For sulfation and other surface reactions we adapted our previous models to take into account more possible features, as for instance rugosity of stones and the possible interaction between chemical and mechanical damage, to evaluate the propagation of cracks in stones under stress. For the problem of salt crystallization, a new mathematical model describing the effect of protective products on sodium sulphate crystallization inside bricks has been proposed and tested against experiments. Finally, a mathematical model for evaluating the penetration and the ultimate depth of filtration of a consolidant product (ethyl silicate) on tuff was proposed and calibrated using experimental data. The proposed models were calibrated by tuning model parameters with numerical fitting procedures based on the comparison between simulation results and available experimental data. Since the obtained results were in qualitative and quantitative accordance with data, this confirmed the soundness of implemented procedures and the effectiveness of the proposed methods.

Mathematical modelling Porous media Chemical aggression Numerical simulations Model calibration
2022 Articolo in rivista open access

On the mean field limit for Cucker-Smale models

Natalini, Roberto ; Paul, Thierry

In this note, we consider generalizations of the Cucker-Smale dynamical system and we derive rigorously in Wasserstein's type topologies the mean-field limit (and propagation of chaos) to the Vlasov-type equation introduced in [13]. Unlike previous results on the Cucker-Smale model, our approach is not based on the empirical measures, but, using an Eulerian point of view introduced in [9] in the Hamiltonian setting, we show the limit providing explicit constants. Moreover, for non strictly Cucker-Smale particles dynamics, we also give an insight on what induces a flocking behavior of the solution to the Vlasov equation to the - unknown a priori - flocking properties of the original particle system.

Cucker-Smale system, flocking properties, mean-field limit, Vlasov equations, Wasserstein topology
2022 Articolo in rivista open access

Modeling ATP-mediated endothelial cell elongation on line patterns

N Roselli ; A Castagnino ; G Pontrelli ; R Natalini ; AI Barakat

Endothelial cell (EC) migration is crucial for a wide range of processes including vascular wound healing, tumor angiogenesis, and the development of viable endovascular implants. We have previously demonstrated that ECs cultured on 15-?m wide adhesive line patterns exhibit three distinct migration phenotypes: (a) "running" cells that are polarized and migrate continuously and persistently on the adhesive lines with possible spontaneous directional changes, (b) "undecided" cells that are highly elongated and exhibit periodic changes in the direction of their polarization while maintaining minimal net migration, and (c) "tumbling-like" cells that migrate persistently for a certain amount of time but then stop and round up for a few hours before spreading again and resuming migration. Importantly, the three migration patterns are associated with distinct profles of cell length. Because of the impact of adenosine triphosphate (ATP) on cytoskeletal organization and cell polarization, we hypothesize that the observed diferences in EC length among the three diferent migration phenotypes are driven by diferences in intracellular ATP levels. In the present work, we develop a mathematical model that incorporates the interactions between cell length, cytoskeletal (F-actin) organization, and intracellular ATP concentration. An optimization procedure is used to obtain the model parameter values that best ft the experimental data on EC lengths. The results indicate that a minimalist model based on diferences in intracellular ATP levels is capable of capturing the diferent cell length profiles observed experimentally.

Endothelial cells Line patterns ATP release mathematical modelling
2022 Articolo in rivista open access

Nonresonant bilinear forms for partially dissipative hyperbolic systems violating the Shizuta-Kawashima condition

In the context of hyperbolic systems of balance laws, the Shizuta-Kawashima coupling condition guarantees that all the variables of the system are dissipative even though the system is not totally dissipative. Hence it plays a crucial role in terms of sufficient conditions for the global in time existence of classical solutions. However, it is easy to find physically based models that do not satisfy this condition, especially in several space dimensions. In this paper, we consider two simple examples of partially dissipative hyperbolic systems violating the Shizuta-Kawashima condition (SK) in 3D, such that some eigendirections do not exhibit dissipation at all. We prove that if the source term is nonresonant (in a suitable sense) in the direction where dissipation does not play any role, then the formation of singularities is prevented, despite the lack of dissipation, and the smooth solutions exist globally in time. The main idea of the proof is to couple Green function estimates for weakly dissipative hyperbolic systems with the space-time resonance analysis for dispersive equations introduced by Germain, Masmoudi and Shatah. More precisely, the partially dissipative hyperbolic systems violating (SK) are endowed, in the nondissipative directions, with a special structure of the nonlinearity, the so-called nonresonant bilinear form for the wave equation (see Pusateri and Shatah, CPAM 2013).

dissipative nonlinear hyperbolic problems nonresonant conditions
2022 Articolo in rivista restricted access

A moving boundary problem for reaction and diffusion processes in concrete: Carbonation advancement and carbonation shrinkage

The present work is devoted to modeling and simulation of the carbonation process in concrete. To this aim we introduce some free boundary problems which describe the evolution of calcium carbonate stones under the attack of $ {CO}_2 $ dispersed in the atmosphere, taking into account both the shrinkage of concrete and the influence of humidity on the carbonation process. Indeed, two different regimes are described according to the relative humidity in the environment. Finally, some numerical simulations here presented are in substantial accordance with experimental results taken from literature.

Concrete carbonation reaction and diffusion parabolic PDE model calibration finite difference schemes.
2022 Articolo in rivista open access

A forecasting model for the porosity variation during the carbonation process

Bretti G ; Ceseri M ; Natalini R ; Ciacchella MC ; Santarelli ML ; Tiracorrendo G

In this paper we introduce a mathematical model of concrete carbonation Portland cement specimens. The main novelty of this work is to describe the intermediate chemical reactions, occurring in the carbonation process of concrete, involving the interplay of carbon dioxide with the water present into the pores. Indeed, the model here proposed, besides describing transport and diffusion processes inside the porous medium, takes into account both fast and slow phenomena as intermediate reactions of the carbonation process. As a model validation, by using the mathematical based simulation algorithm we are able to describe the effects of the interaction between concrete and CO on the porosity of material as shown by the numerical results in substantial accordance with experimental results of accelerated carbonation taken from literature. We also considered a further reaction: the dissolution of calcium carbonate under an acid environment. As a result, a trend inversion in the evolution of porosity can be observed for long exposure times. Such an increase in porosity results in the accessibility of solutions and pollutants within the concrete leading to an higher permeability and diffusivity thus significantly affecting its durability.

Concrete carbonation · Reaction and diffusion models · Model parameter estimation · Finite difference schemes
2022 Articolo in rivista metadata only access

Parameter estimation techniques for a chemotaxis model inspired by Cancer-on-Chip (COC) experiments

The present work is inspired by laboratory experiments, investigating the cross-talk between immune and cancer cells in a confined environment given by a microfluidic chip, the so called Organ-on-Chip (OOC). Based on a mathematical model in form of coupled reaction-diffusion-transport equations with chemotactic functions, our effort is devoted to the development of a parameter estimation methodology that is able to use real data obtained from the laboratory experiments to estimate the model parameters and infer the most plausible chemotactic function present in the experiment. In particular, we need to estimate the model parameters representing the convective and diffusive regimes included in the PDE model, in order to evaluate the diffusivity of the chemoattractant produced by tumor cells and its biasing effect on immune cells. The main issues faced in this work are the efficient calibration of the model against noisy synthetic data, available as macroscopic density of immune cells. A calibration algorithm is derived based on minimization methods which applies several techniques such as regularization terms and multigrids application to improve the results, which show the robustness and accuracy of the proposed algorithm.

Inverse Problems PDE Chemotaxis models Parameter Estimation Data assimiliation Microfluidic Chip
2022 Rapporto tecnico open access

I seminari scientifici online e la loro promozione attraverso i social network. Il caso del ciclo di seminari AIM - Artificial Intelligence and Mathematics dell'Istituto per le Applicazioni del Calcolo "Mauro Picone" del CNR

A conclusione del primo ciclo di seminari AIM - Artificial Intelligence and Mathematics, svolti nel 2021 totalmente in streaming, a causa dell'emergenza pandemica, questo rapporto tecnico si interroga sull'efficacia generale dei seminari scientifici online. Mediante la presentazione di una breve indagine tra i ricercatori dell'IAC e l'analisi della letteratura sull'argomento, il report considera prospettive, vantaggi e svantaggi - per la comunità dei ricercatori - dell'utilizzo della modalità telematica nell'organizzazione dei workshop.Partendo poi dalle performance, in termini di pubblico, dei vari seminari, vengono analizzate le modalità di comunicazione e promozione delle diverse giornate del ciclo di seminari AIM, al fine di comprendere se ci sia una connessione tra il numero di spettatori (in diretta e in differita) e la loro promozione sui canali social - Facebook, Twitter e Instagram - dell'istituto.

Intelligenza Artificiale Social networks Seminari
2022 Articolo in rivista metadata only access

Parameter estimation tools for cardiovascular flow modeling of fetal circulation

Usually, clinicians assess the correct hemodynamic behavior and fetal wellbeing during the gestational age thanks to their professional expertise, with the support of some indices defined for Doppler fetal waveforms. Although this approach has demonstrated to be satisfactory in the most of the cases, it can be largely improved with the aid of more advanced techniques, i.e. numerical analysis and simulation. Another key aspect limiting the analysis is that clinicians rely on a limited number of Doppler waveforms observed during the clinical examination. Moreover, the use of simple velocimetric indicators for deriving possible malfunctions of the fetal cardiovascular system can be misleading, being the fetal assessment based on a mere statistical analysis (comparison with physiological ranges), without any deep physiopathological interpretations of the observed hemodynamic changes. The use of a lumped mathematical model, properly describing the entire fetal cardiovascular system, would be absolutely helpful in this context: by targeting physiological model parameters on the clinical reliefs, we could gain deep insights of the full system. The calibration of model parameters may also help in formulating patient-specific early diagnosis of fetal pathologies. In the present work, we develop a robust parameter estimation algorithm based on two different optimization methods using synthetic data. In particular, we deal with the inverse problem of recognizing the most significant parameters of a lumped fetal circulation model by using time tracings of fetal blood flows and pressures obtained by the model. This represents a first methodological work for the assessment of the accuracy in the identification of model parameters of an algorithm based on closed-loop mathematical model of fetal circulation and opens the way to the application of the algorithm to clinical data.

Fetal circulatory system lumped parameter model Differential algebraic equations Simulation and numerical modeling Parameter estimation techniques Inverse problem
2022 metadata only access

2012-2021: A comics & science experience

Natalini R. ; Piazzi A.

How can Science be told in, and with comics, if ever? In recent years, the CNR Edizioni Comics&Science label tried to answer this question with a variety of projects, all spawned by the all-time classic comic book format. Let us recapitulate, with an open eye on future developments.

mathematics comics outreach
2021 Articolo in rivista open access

Mass-Preserving Approximation of a Chemotaxis Multi-Domain Transmission Model for Microfluidic Chips

The present work is inspired by the recent developments in laboratory experiments madeon chips, where the culturing of multiple cell species was possible. The model is based on coupledreaction-diffusion-transport equations with chemotaxis and takes into account the interactions amongcell populations and the possibility of drug administration for drug testing effects. Our effort isdevoted to the development of a simulation tool that is able to reproduce the chemotactic movementand the interactions between different cell species (immune and cancer cells) living in a microfluidicchip environment. The main issues faced in this work are the introduction of mass-preserving andpositivity-preserving conditions, involving the balancing of incoming and outgoing fluxes passingthrough interfaces between 2D and 1D domains of the chip and the development of mass-preservingand positivity preserving numerical conditions at the external boundaries and at the interfacesbetween 2D and 1D domains.

multi-domain network; transmission conditions; finite difference schemes; chemotaxis; reaction-diffusion models
2021 Articolo in rivista open access

Asymptotic behavior of 2D stably stratified fluids with a damping term in the velocity equation

This article deals with the asymptotic behavior of the two-dimensional inviscid Boussinesq equations with a damping term in the velocity equation. Precisely, we provide the time-decay rates of the smooth solutions to that system. The key ingredient is a careful analysis of the Green kernel of the linearized problem in Fourier space, combined with bilinear estimates and interpolation inequalities for handling the nonlinearity.

Boussinesq equations; Green function analysis; asymptotic behavior
2021 Articolo in rivista open access

Vanishing viscosity approximation for linear transport equations on finite starshaped networks

FR Guarguaglini ; R Natalini

In this paper, we study linear parabolic equations on a finite oriented star-shaped network; the equations are coupled by transmission conditions set at the inner node, which do not impose continuity on the unknown. We consider this problem as a parabolic approximation of a set of the first-order linear transport equations on the network, and we prove that when the diffusion coefficient vanishes, the family of solutions converges to the unique solution to the first-order equations satisfying suitable transmission conditions at the inner node, which are determined by the parameters appearing in the parabolic transmission conditions.

Linear transport equations,Transmission conditions on networks, Viscosity approximation