by Keyword: Equation

Romero, Daniel, Blanco-Almazán, Dolores, Groenendaal, Willemijn, Lijnen, Lien, Smeets, Christophe, Ruttens, David, Catthoor, Francky, Jané, Raimon, (2022). Predicting 6-minute walking test outcomes in patients with chronic obstructive pulmonary disease without physical performance measures Computer Methods And Programs In Biomedicine 225, 107020

Chronic obstructive pulmonary disease (COPD) requires a multifactorial assessment, evaluating the airflow limitation and symptoms of the patients. The 6-min walk test (6MWT) is commonly used to evaluate the functional exercise capacity in these patients. This study aims to propose a novel predictive model of the major 6MWT outcomes for COPD assessment, without physical performance measurements.Cardiopulmonary and clinical parameters were obtained from fifty COPD patients. These parameters were used as inputs of a Bayesian network (BN), which integrated three multivariate models including the 6-min walking distance (6MWD), the maximum HR (HRmax) after the walking, and the HR decay 3 min after (HRR3). The use of BN allows the assessment of the patients' status by predicting the 6MWT outcomes, but also inferring disease severity parameters based on actual patient's 6MWT outcomes.Firstly, the correlation obtained between the estimated and actual 6MWT measures was strong (R = 0.84, MAPE = 8.10% for HRmax) and moderate (R = 0.58, MAPE = 15.43% for 6MWD and R = 0.58, MAPE = 32.49% for HRR3), improving the classical methods to estimate 6MWD. Secondly, the classification of disease severity showed an accuracy of 78.3% using three severity groups, which increased up to 84.4% for two defined severity groups.We propose a powerful two-way assessment tool for COPD patients, capable of predicting 6MWT outcomes without the need for an actual walking exercise. This model-based tool opens the way to implement a continuous monitoring system for COPD patients at home and to provide more personalized care.Copyright © 2022 The Authors. Published by Elsevier B.V. All rights reserved.

JTD Keywords: 6mwt, bayesian networks, copd, distance, exercise capacity, physical capacity, reference equations, severity, survival, wearables, 6mwt, Heart-rate recovery, Wearables

Palacios, LS, Scagliarini, A, Pagonabarraga, I, (2022). A lattice Boltzmann model for self-diffusiophoretic particles near and at liquid-liquid interfaces Journal Of Chemical Physics 156, 224105

We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved solvent hydrodynamics, and, thanks to its versatility, it can handle important aspects of the multiphysics of the problem, including particle wettability and differential solubility of the product in the two liquid phases. The method is extensively validated in simple numerical experiments, whose outcome is theoretically predictable, and then applied to the study of the behavior of active particles next to and trapped at interfaces. We show that their motion can be variously steered by tuning relevant control parameters, such as the phoretic mobilities, the contact angle, and the product solubility. Published under an exclusive license by AIP Publishing.

JTD Keywords: Colloids, Equation, Gas, Numerical simulations, Particulate suspensions

De Corato, M, Arroyo, M, (2022). A theory for the flow of chemically responsive polymer solutions: Equilibrium and shear-induced phase separation Journal Of Rheology 66, 813-835

Chemically responsive polymers are macromolecules that respond to local variations of the chemical composition of the solution by changing their conformation, with notable examples including polyelectrolytes, proteins, and DNA. The polymer conformation changes can occur in response to changes in the pH, the ionic strength, or the concentration of a generic solute that interacts with the polymer. These chemical stimuli can lead to drastic variations of the polymer flexibility and even trigger a transition from a coil to a globule polymer conformation. In many situations, the spatial distribution of the chemical stimuli can be highly inhomogeneous, which can lead to large spatial variations of polymer conformation and of the rheological properties of the mixture. In this paper, we develop a theory for the flow of a mixture of solute and chemically responsive polymers. The approach is valid for generic flows and inhomogeneous distributions of polymers and solutes. To model the polymer conformation changes introduced by the interactions with the solute, we consider the polymers as linear elastic dumbbells whose spring stiffness depends on the solute concentration. We use Onsager's variational formalism to derive the equations governing the evolution of the variables, which unveils novel couplings between the distribution of dumbbells and that of the solute. Finally, we use a linear stability analysis to show that the governing equations predict an equilibrium phase separation and a distinct shear-induced phase separation whereby a homogeneous distribution of solute and dumbbells spontaneously demix. Similar phase transitions have been observed in previous experiments using stimuli-responsive polymers and may play an important role in living systems. (C) 2022 The Society of Rheology.

JTD Keywords: Coil-globule transition, Constitutive equation, Dilute-solutions, Dumbbell model, Dynamics, Macromolecules, Nonequilibrium thermodynamics, Polyelectrolytes, Polymer migration, Polymer phase separation, Polymers, Predictions, Rheology, Shear-induced phase separation, Solute-polymer interactions, Stress, Viscoelasticity

Cuervo, A., Dans, P. D., Carrascosa, J. L., Orozco, M., Gomila, G., Fumagalli, L., (2014). Direct measurement of the dielectric polarization properties of DNA Proceedings of the National Academy of Sciences of the United States of America 111, (35), E3624-E3630

The electric polarizability of DNA, represented by the dielectric constant, is a key intrinsic property that modulates DNA interaction with effector proteins. Surprisingly, it has so far remained unknown owing to the lack of experimental tools able to access it. Here, we experimentally resolved it by detecting the ultraweak polarization forces of DNA inside single T7 bacteriophages particles using electrostatic force microscopy. In contrast to the common assumption of low-polarizable behavior like proteins (εr ~ 2–4), we found that the DNA dielectric constant is ~ 8, considerably higher than the value of ~ 3 found for capsid proteins. State-of-the-art molecular dynamic simulations confirm the experimental findings, which result in sensibly decreased DNA interaction free energy than normally predicted by Poisson–Boltzmann methods. Our findings reveal a property at the basis of DNA structure and functions that is needed for realistic theoretical descriptions, and illustrate the synergetic power of scanning probe microscopy and theoretical computation techniques.

JTD Keywords: Atomic force microscopy, Atomistic simulations, DNA packaging, DNA-ligand binding, Poisson-Boltzmann equation, capsid protein, DNA, double stranded DNA, amino acid composition, article, atomic force microscopy, bacteriophage, bacteriophage T7, dielectric constant, dipole, DNA binding, DNA packaging, DNA structure, electron microscopy, ligand binding, nonhuman, polarization, priority journal, protein analysis, protein DNA interaction, scanning probe microscopy, static electricity, virion, virus capsid, virus particle, atomic force microscopy, atomistic simulations, DNA packaging, DNA-ligand binding, Poisson-Boltzmann equation, Bacteriophage T7, Capsid, Cations, Dielectric Spectroscopy, DNA, DNA, Viral, DNA-Binding Proteins, Electrochemical Techniques, Ligands, Microscopy, Atomic Force, Models, Chemical, Nuclear Proteins

Estrada, L., Torres, A., Garcia-Casado, J., Prats-Boluda, G., Yiyao, Ye-Lin, Jané, R., (2014). Evaluation of Laplacian diaphragm electromyographic recording in a dynamic inspiratory maneuver Engineering in Medicine and Biology Society (EMBC) 36th Annual International Conference of the IEEE , IEEE (Chicago, USA) , 2201-2204

The analysis of the electromyographic signal of the diaphragm muscle (EMGdi) can provide important information for evaluating the respiratory muscular function. The EMGdi can be recorded using surface Ag/AgCl disc electrodes in monopolar or bipolar configuration. However, these non-invasive EMGdi recordings are usually contaminated by the electrocardiographic (ECG) signal. EMGdi signal can also be noninvasively recorded using concentric ring electrodes in bipolar configuration (CRE) that estimate Laplacian surface potential. Laplacian recordings increase spatial resolution and attenuate distant bioelectric interferences, such as the ECG. Thus, the objective of this work is to compare and to evaluate CRE and traditional bipolar EMGdi recordings in a healthy subject during a dynamic inspiratory maneuver with incremental inspiratory loads. In the conducted study, it was calculated the cumulative percentage of power spectrum of EMGdi recordings to determine the signal bandwidth, and the power ratio between the EMGdi signal segments with and without cardiac activity. The results of this study suggest that EMGdi acquired with CRE electrodes is less affected by the ECG interference, achieves a wider bandwidth and a higher power ratio between segments without cardiac activity and with cardiac activity.

JTD Keywords: Bandwidth, Electric potential, Electrocardiography, Electrodes, Interference, Laplace equations, Muscles