Numerical modeling of inhaled charged aerosol deposition in human airways

A new numerical modeling of inhaled charge aerosol has been developed based on a modified Weibel's model. Both the velocity profiles (slug and parabolic flows) and the particle distributions (uniform and parabolic distributions) have been considered. Inhaled particles are modeled as a dilute dispersed phase flow in which the particle motion is controlled by fluid force and external forces acting on particles. This numerical study extends the previous numerical studies by considering both space- and image-charge forces. Because of the complex computation of interacting forces due to space-charge effect, the particle-mesh (PM) method is selected to calculate these forces. In the PM technique, the charges of all particles are assigned to the space-charge field mesh, for calculating charge density. The Poisson's equation of the electrostatic potential is then solved, and the electrostatic force acting on individual particle is interpolated. It is assumed that there is no effect of humidity on charged particles. The results show that many significant factors also affect the deposition, such as the volume of particle cloud, the velocity profile and the particle distribution. This study allows a better understanding of electrostatic mechanism of aerosol transport and deposition in human airways.

Climatic and oceanic associations with daily rainfall extremes over southern Africa

Changes in climate variability and, in particular, changes in extreme climate events are likely to be of far more significance for environmentally vulnerable regions than changes in the mean state. It is generally accepted that sea-surface temperatures (SSTs) play an important role in modulating rainfall variability. Consequently, SSTs can be prescribed in global and regional climate modelling in order to study the physical mechanisms behind rainfall and its extremes. Using a satellite-based daily rainfall historical data set, this paper describes the main patterns of rainfall variability over southern Africa, identifies the dates when extreme rainfall occurs within these patterns, and shows the effect of resolution in trying to identify the location and intensity of SST anomalies associated with these extremes in the Atlantic and southwest Indian Ocean. Derived from a Principal Component Analysis (PCA), the results also suggest that, for the spatial pattern accounting for the highest amount of variability, extremes extracted at a higher spatial resolution do give a clearer indication regarding the location and intensity of anomalous SST regions. As the amount of variability explained by each spatial pattern defined by the PCA decreases, it would appear that extremes extracted at a lower resolution give a clearer indication of anomalous SST regions.

Assessment of a climate model to reproduce rainfall variability and extremes over Southern Africa

It is increasingly accepted that any possible climate change will not only have an influence on mean climate but may also significantly alter climatic variability. A change in the distribution and magnitude of extreme rainfall events (associated with changing variability), such as droughts or flooding, may have a far greater impact on human and natural systems than a changing mean. This issue is of particular importance for environmentally vulnerable regions such as southern Africa. The sub-continent is considered especially vulnerable to and ill-equipped (in terms of adaptation) for extreme events, due to a number of factors including extensive poverty, famine, disease and political instability. Rainfall variability and the identification of rainfall extremes is a function of scale, so high spatial and temporal resolution data are preferred to identify extreme events and accurately predict future variability. The majority of previous climate model verification studies have compared model output with observational data at monthly timescales. In this research, the assessment of ability of a state of the art climate model to simulate climate at daily timescales is carried out using satellite-derived rainfall data from the Microwave Infrared Rainfall Algorithm (MIRA). This dataset covers the period from 1993 to 2002 and the whole of southern Africa at a spatial resolution of 0.1° longitude/latitude. This paper concentrates primarily on the ability of the model to simulate the spatial and temporal patterns of present-day rainfall variability over southern Africa and is not intended to discuss possible future changes in climate as these have been documented elsewhere. Simulations of current climate from the UKMeteorological Office Hadley Centre’s climate model, in both regional and global mode, are firstly compared to the MIRA dataset at daily timescales. Secondly, the ability of the model to reproduce daily rainfall extremes is assessed, again by a comparison with extremes from the MIRA dataset. The results suggest that the model reproduces the number and spatial distribution of rainfall extremes with some accuracy, but that mean rainfall and rainfall variability is underestimated (over-estimated) over wet (dry) regions of southern Africa.

Modeling the plant uptake of organic chemicals, including the soil-air-plant pathway

The soil−air−plant pathway is potentially important in the vegetative accumulation of organic pollutants from contaminated soils. While a number of qualitative frameworks exist for the prediction of plant accumulation of organic chemicals by this pathway, there are few quantitative models that incorporate this pathway. The aim of the present study was to produce a model that included this pathway and could quantify its contribution to the total plant contamination for a range of organic pollutants. A new model was developed from three submodels for the processes controlling plant contamination via this pathway: aerial deposition, soil volatilization, and systemic translocation. Using the combined model, the soil−air−plant pathway was predicted to account for a significant proportion of the total shoot contamination for those compounds with log KOA > 9 and log KAW < −3. For those pollutants with log KOA < 9 and log KAW > −3 there was a higher deposition of pollutant via the soil−air−plant pathway than for those chemicals with log KOA > 9 and log KAW < −3, but this was an insignificant proportion of the total shoot contamination because of the higher mobility of these compounds via the soil−root−shoot pathway. The incorporation of the soil−air−plant pathway into the plant uptake model did not significantly improve the prediction of the contamination of vegetation from polluted soils when compared across a range of studies. This was a result of the high variability between the experimental studies where the bioconcentration factors varied by 2 orders of magnitude at an equivalent log KOA. One potential reason for this is the background air concentration of the pollutants under study. It was found background air concentrations would dominate those from soil volatilization in many situations unless there was a soil hot spot of contamination, i.e., >100 mg kg−1.

The distribution of solar wind speeds during solar minimum: calibration for numerical solar wind modeling constraints on the source of the slow solar wind

It took the solar polar passage of Ulysses in the early 1990s to establish the global structure of the solar wind speed during solar minimum. However, it remains unclear if the solar wind is composed of two distinct populations of solar wind from different sources (e.g., closed loops which open up to produce the slow solar wind) or if the fast and slow solar wind rely on the superradial expansion of the magnetic field to account for the observed solar wind speed variation. We investigate the solar wind in the inner corona using the Wang-Sheeley-Arge (WSA) coronal model incorporating a new empirical magnetic topology–velocity relationship calibrated for use at 0.1 AU. In this study the empirical solar wind speed relationship was determined by using Helios perihelion observations, along with results from Riley et al. (2003) and Schwadron et al. (2005) as constraints. The new relationship was tested by using it to drive the ENLIL 3-D MHD solar wind model and obtain solar wind parameters at Earth (1.0 AU) and Ulysses (1.4 AU). The improvements in speed, its variability, and the occurrence of high-speed enhancements provide confidence that the new velocity relationship better determines the solar wind speed in the outer corona (0.1 AU). An analysis of this improved velocity field within the WSA model suggests the existence of two distinct mechanisms of the solar wind generation, one for fast and one for slow solar wind, implying that a combination of present theories may be necessary to explain solar wind observations.

Modeling of complex-valued Wiener systems using B-spline neural network

In this brief, a new complex-valued B-spline neural network is introduced in order to model the complex-valued Wiener system using observational input/output data. The complex-valued nonlinear static function in the Wiener system is represented using the tensor product from two univariate B-spline neural networks, using the real and imaginary parts of the system input. Following the use of a simple least squares parameter initialization scheme, the Gauss-Newton algorithm is applied for the parameter estimation, which incorporates the De Boor algorithm, including both the B-spline curve and the first-order derivatives recursion. Numerical examples, including a nonlinear high-power amplifier model in communication systems, are used to demonstrate the efficacy of the proposed approaches.

Exploring the land–ocean contrast in convective vigor using islands

Moist convection is well known to be generally more intense over continental than maritime regions, with larger updraft velocities, graupel, and lightning production. This study explores the transition from maritime to continental convection by comparing the trends in Tropical Rainfall Measuring Mission (TRMM) radar and microwave (37 and 85 GHz) observations over islands of increasing size to those simulated by a cloud-resolving model. The observed storms were essentially maritime over islands of <100 km2 and continental over islands >10 000 km2, with a gradual transition in between. Equivalent radar and microwave quantities were simulated from cloud-resolving runs of the Weather Research and Forecasting model via offline radiation codes. The model configuration was idealized, with islands represented by regions of uniform surface heat flux without orography, using a range of initial sounding conditions without strong horizontal winds or aerosols. Simulated storm strength varied with initial sounding, as expected, but also increased sharply with island size in a manner similar to observations. Stronger simulated storms were associated with higher concentrations of large hydrometeors. Although biases varied with different ice microphysical schemes, the trend was similar for all three schemes tested and was also seen in 2D and 3D model configurations. The successful reproduction of the trend with such idealized forcing supports previous suggestions that mesoscale variation in surface heating—rather than any difference in humidity, aerosol, or other aspects of the atmospheric state—is the main reason that convection is more intense over continents and large islands than over oceans. Some dynamical storm aspects, notably the peak rainfall and minimum surface pressure low, were more sensitive to surface forcing than to the atmospheric sounding or ice scheme. Large hydrometeor concentrations and simulated microwave and radar signatures, however, were at least as sensitive to initial humidity levels as to surface forcing and were more sensitive to the ice scheme. Issues with running the TRMM simulator on 2D simulations are discussed, but they appear to be less serious than sensitivities to model microphysics, which were similar in 2D and 3D. This supports the further use of 2D simulations to economically explore modeling uncertainties.

Dependence of Indian monsoon rainfall on moisture fluxes across the Arabian Sea and the impact of coupled model sea surface temperature biases

The Arabian Sea is an important moisture source for Indian monsoon rainfall. The skill of climate models in simulating the monsoon and its variability varies widely, while Arabian Sea cold sea surface temperature (SST) biases are common in coupled models and may therefore influence the monsoon and its sensitivity to climate change. We examine the relationship between monsoon rainfall, moisture fluxes and Arabian Sea SST in observations and climate model simulations. Observational analysis shows strong monsoons depend on moisture fluxes across the Arabian Sea, however detecting consistent signals with contemporaneous summer SST anomalies is complicated in the observed system by air/sea coupling and large-scale induced variability such as the El Niño-Southern Oscillation feeding back onto the monsoon through development of the Somali Jet. Comparison of HadGEM3 coupled and atmosphere-only configurations suggests coupled model cold SST biases significantly reduce monsoon rainfall. Idealised atmosphere-only experiments show that the weakened monsoon can be mainly attributed to systematic Arabian Sea cold SST biases during summer and their impact on the monsoon-moisture relationship. The impact of large cold SST biases on atmospheric moisture content over the Arabian Sea, and also the subsequent reduced latent heat release over India, dominates over any enhancement in the land-sea temperature gradient and results in changes to the mean state. We hypothesize that a cold base state will result in underestimation of the impact of larger projected Arabian Sea SST changes in future climate, suggesting that Arabian Sea biases should be a clear target for model development.

Evaluation of satellite-based and model re-analysis rainfall estimates for Uganda

The dependence of much of Africa on rain fed agriculture leads to a high vulnerability to fluctuations in rainfall amount. Hence, accurate monitoring of near-real time rainfall is particularly useful, for example in forewarning possible crop shortfalls in drought-prone areas. Unfortunately, ground based observations are often inadequate. Rainfall estimates from satellite-based algorithms and numerical model outputs can fill this data gap, however rigorous assessment of such estimates is required. In this case, three satellite based products (NOAA-RFE 2.0, GPCP-1DD and TAMSAT) and two numerical model outputs (ERA-40 and ERA-Interim) have been evaluated for Uganda in East Africa using a network of 27 rain gauges. The study focuses on the years 2001 to 2005 and considers the main rainy season (February to June). All data sets were converted to the same temporal and spatial scales. Kriging was used for the spatial interpolation of the gauge data. All three satellite products showed similar characteristics and had a high level of skill that exceeded both model outputs. ERA-Interim had a tendency to overestimate whilst ERA-40 consistently underestimated the Ugandan rainfall.

Modeling the tetraphenylalanine-PEG hybrid amphiphile: from DFT calculations on the peptide to molecular dynamics simulations on the conjugate

The conformational properties of the hybrid amphiphile formed by the conjugation of a hydrophobic peptide with four phenylalanine (Phe) residues and hydrophilic poly(ethylene glycol), have been investigated using quantum mechanical calculations and atomistic molecular dynamics simulations. The intrinsic conformational preferences of the peptide were examined using the building-up search procedure combined with B3LYP/ 6-31G(d) geometry optimizations, which led to the identification of 78, 78, and 92 minimum energy structures for the peptides containing one, two, and four Phe residues. These peptides tend to adopt regular organizations involving turn-like motifs that define ribbon or helicallike arrangements. Furthermore, calculations indicate that backbone ... side chain interactions involving the N-H of the amide groups and the pi clouds of the aromatic rings play a crucial role in Phe-containing peptides. On the other hand,MD simulations on the complete amphiphile in aqueous solution showed that the polymer fragment rapidly unfolds maximizing the contacts with the polar solvent, even though the hydrophobic peptide reduce the number of waters of hydration with respect to an individual polymer chain of equivalent molecular weight. In spite of the small effect of the peptide in the hydrodynamic properties of the polymer, we conclude that the two counterparts of the amphiphile tend to organize as independent modules.