Stochastic simulation of successive waves of COVID-19 in the province of Barcelona.

Analytic compartmental models are currently used in mathematical epidemiology to forecast the COVID-19 pandemic evolution and explore the impact of mitigation strategies. In general, such models treat the population as a single entity, losing the social, cultural and economical specificities. We present a network model that uses socio-demographic datasets with the highest available granularity to predict the spread of COVID-19 in the province of Barcelona. The model is flexible enough to incorporate the effect of containment policies, such as lockdowns or the use of protective masks, and can be easily adapted to future epidemics. We follow a stochastic approach that combines a compartmental model with detailed individual microdata from the population census, including social determinants and age-dependent strata, and time-dependent mobility information. We show that our model reproduces the dynamical features of the disease across two waves and demonstrates its capability to become a powerful tool for simulating epidemic events.

Evaluation of alkyl sulfate and sulfonate micellar structure at the water-surfactant interphase with simple geometrical calculations.

The present work deals with an interpretation of the differences in micellar structure of two surfactants, sodium decyl sulfonate and sodium decyl sulfate, whose only difference in molecular structure is the presence, for sulfate, of an oxygen atom bridging alkyl chains from a common SO(3)(-) charged head group. Using a simple geometrical approach, a different exposure of the surfactant head groups on the micellar surface is proposed. It is also shown that the different interphase microstructure could be the reason that decyl sulfate forms ellipsoidal aggregates, in contrast to decyl sulfonate, which forms nearly spherical micelles.

Inhomogeneities in sodium decylsulfate doped 1,2-dipalmitoylphosphatidylcholine bilayer.

Differential scanning calorimetry (DSC), dynamic light scattering (DLS), and turbidity measurements have been used to study the effect of sodium decylsulfate, C10OS, on 1,2-dipalmitoylphosphatidylcholine, DPPC, vesicles. DSC measurements, performed soon after addition of C10OS solutions to DPPC vesicular dispersion, at several C10OS/DPPC molar ratios, showed the contemporary presence of maxima ascribable both to transitions of an unmodified DPPC membrane and to transitions related to membrane domains in which C10OS is also present. In all the considered samples only unilamellar vesicles are present as shown by DLS measurements carried out on aqueous DPPC and C10OS-DPPC systems. Also the aging of the samples confirmed the presence of SUV in the time scale of DSC measurements. On the basis of DSC results the pseudo-phase diagram of the system was drawn. This diagram does not represent a system in equilibrium, from a thermodynamic point of view, but only kinetically probable states. In fact the prolonged aging of the solutions used both for DSC and DLS scans highlight the disappearance of the unmodified DPPC membrane and its conversion into a mixed membrane. Turbidity measurements at 25 degrees C, performed as a function of surfactant composition, showed that C10OS initially contributes to increase the vesicles dimensions and allowed to calculate the saturation ratio C10OS/DPPC in the membrane. In contrast, at 45 degrees C the presence of surfactant gives origin immediately to smaller structures in comparison to vesicles, probably gel-state micelles.

Transport Properties for Aqueous Solution of Sodium Sulfonate Surfactants.

Isothermal mutual diffusion coefficients (D) have been measured for binary aqueous solutions of sodium alkylsulfonates at 25 degrees C. The diffusion coefficient values drop as the concentration of micelles in the system increases. As the length of the hydrocarbon chain increases, the observed drop in D becomes increasingly sharp and shifts to lower concentrations. When the micellization process is treated as a chemical equilibrium, diffusion coefficients lead to the calculation of the thermodynamic parameters association number, n, and the equilibrium constant, K. These parameters are briefly discussed in connection with the alkyl chain length of the surfactants. Copyright 1999 Academic Press.

Transport Properties for Aqueous Sodium Sulfonate Surfactants.

Intradiffusion coefficients of sodium alkylsulfonates [CH3-(CH2)n-1SO-3 Na+, CnSNa] (n = 5-9, 11) in mixtures with heavy water were measured by the PGSE-NMR technique at 25 degrees C. A slope change in the experimental trends permits the determination of the critical micelle concentration (CMC). In the micellar composition range, solubilized TMS molecules were used to determine the micelle intradiffusion coefficient, from which the micelle radii were obtained. Both the monomer surfactant and the micelle intradiffusion coefficients show a sharp decrease above the CMC. These results can be interpreted in terms of the obstruction effect due to the micelles. The electrostatic repulsion among charged particles strongly enhances this effect. A simple approach that permits the computation of the Gouy-Chapman layer thickness from the experimental coefficients has been proposed and the results are briefly discussed. Copyright 1999 Academic Press.

Microcalorimetric Study of Some Short-Chain Nonionic Surfactants.

Apparent enthalpies of mixing were measured for various surfactants of the general formula CH3-(CH2)n-1-(OCH2-CH2)mOH(CnEm) in aqueous solution at 25 degreesC. From the experimental data the enthalpies of micellization were obtained. The results are briefly discussed. Copyright 1998 Academic Press.

Thermodynamic and Dynamic Properties of Micellar Aggregates of Nonionic Surfactants with Short Hydrophobic Tails

The densities and viscosities of binary aqueous mixtures of poly(ethylenoxide)hexanols [C6 H13 (OCH2 CH2 )m OH, C6 Em ] (m = 3, 4, and 5) have been studied in the micellar composition range. For the same surfactants the self-diffusion coefficients in mixtures with heavy water have been determined by the spin-echo pulsed field gradient method. The volumetric data are interpreted by means of the phase separation model, and values of the CMC, volume change, and standard free energy change of micellization are obtained. From the viscosity data the hydration numbers of the surfactant hydrophilic head in the micellar state are computed; they are in agreement with those obtained from HDO self-diffusion data. The surfactant self-diffusion data are used to calculate the apparent micelle radius and the aggregation number. The micellization parameters obtained for the different surfactants are compared and discussed.