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Showing papers by "The Cyprus Institute published in 2012"


Journal ArticleDOI
TL;DR: Long-term meteorological datasets along with regional climate model projections for the 21st century, based on the intermediate IPCC SRES scenario A1B suggest a continual, gradual and relatively strong warming between the 1961–1990 reference period and the period 2070–2099.
Abstract: The Eastern Mediterranean and the Middle East (EMME) are likely to be greatly affected by climate change, associated with increases in the frequency and intensity of droughts and hot weather conditions. Since the region is diverse and extreme climate conditions already common, the impacts will be disproportional. We have analyzed long-term meteorological datasets along with regional climate model projections for the 21st century, based on the intermediate IPCC SRES scenario A1B. This suggests a continual, gradual and relatively strong warming of about 3.5–7°C between the 1961–1990 reference period and the period 2070–2099. Daytime maximum temperatures appear to increase most rapidly in the northern part of the region, i.e. the Balkan Peninsula and Turkey. Hot summer conditions that rarely occurred in the reference period may become the norm by the middle and the end of the 21st century. Projected precipitation changes are quite variable. Annual precipitation is expected to decrease in the southern Europe – Turkey region and the Levant, whereas in the Arabian Gulf area it may increase. In the former region rainfall is actually expected to increase in winter, while decreasing in spring and summer, with a substantial increase of the number of days without rainfall. Anticipated regional impacts of climate change include heat stress, associated with poor air quality in the urban environment, and increasing scarcity of fresh water in the Levant.

401 citations


Journal ArticleDOI
TL;DR: In this article, chemical weather forecasting models are described and compared on regional and continental scales in Europe, and the most prominent gaps of knowledge are highlighted for the following selected focus areas: emission inventories, the integration of numerical weather prediction and atmospheric chemical transport models, boundary conditions and nesting of models, data assimilation of the various chemical species, improved understanding and parameterization of physical processes, better evaluation of models against data and the construction of model ensembles.
Abstract: Numerical models that combine weather forecasting and atmospheric chemistry are here referred to as chemical weather forecasting models. Eighteen operational chemical weather forecasting models on regional and continental scales in Europe are described and compared in this article. Topics discussed in this article include how weather forecasting and atmospheric chemistry models are integrated into chemical weather forecasting systems, how physical processes are incorporated into the models through parameterization schemes, how the model architecture affects the predicted variables, and how air chemistry and aerosol processes are formulated. In addition, we discuss sensitivity analysis and evaluation of the models, user operational requirements, such as model availability and documentation, and output availability and dissemination. In this manner, this article allows for the evaluation of the relative strengths and weaknesses of the various modelling systems and modelling approaches. Finally, this article highlights the most prominent gaps of knowledge for chemical weather forecasting models and suggests potential priorities for future research directions, for the following selected focus areas: emission inventories, the integration of numerical weather prediction and atmospheric chemical transport models, boundary conditions and nesting of models, data assimilation of the various chemical species, improved understanding and parameterization of physical processes, better evaluation of models against data and the construction of model ensembles. © 2012 Author(s).

266 citations


Journal ArticleDOI
TL;DR: In this article, a relatively high-resolution simulation is performed for the years 2005-2008 to evaluate the capability of the model and the emissions to reproduce observed aerosol concentrations and aerosol optical depth (AOD) values.
Abstract: . The new global anthropogenic emission inventory (EDGAR-CIRCE) of gas and aerosol pollutants has been incorporated in the chemistry general circulation model EMAC (ECHAM5/MESSy Atmospheric Chemistry). A relatively high horizontal resolution simulation is performed for the years 2005–2008 to evaluate the capability of the model and the emissions to reproduce observed aerosol concentrations and aerosol optical depth (AOD) values. Model output is compared with observations from different measurement networks (CASTNET, EMEP and EANET) and AODs from remote sensing instruments (MODIS and MISR). A good spatial agreement of the distribution of sulfate and ammonium aerosol is found when compared to observations, while calculated nitrate aerosol concentrations show some discrepancies. The simulated temporal development of the inorganic aerosols is in line with measurements of sulfate and nitrate aerosol, while for ammonium aerosol some deviations from observations occur over the USA, due to the wrong temporal distribution of ammonia gas emissions. The calculated AODs agree well with the satellite observations in most regions, while negative biases are found for the equatorial area and in the dust outflow regions (i.e. Central Atlantic and Northern Indian Ocean), due to an underestimation of biomass burning and aeolian dust emissions, respectively. Aerosols and precursors budgets for five different regions (North America, Europe, East Asia, Central Africa and South America) are calculated. Over East-Asia most of the emitted aerosols (precursors) are also deposited within the region, while in North America and Europe transport plays a larger role. Further, it is shown that a simulation with monthly varying anthropogenic emissions typically improves the temporal correlation by 5–10% compared to one with constant annual emissions.

119 citations


Journal ArticleDOI
TL;DR: In this article, the authors evaluated global and regional aerosol optical depth (AOD) trends in view of aerosol (precursor) emission changes between 2000 and 2009.

113 citations


Journal ArticleDOI
TL;DR: In this paper, an intercomparison and evaluation of gridded temperature and precipitation data sets, based on observations in the Mediterranean and the Middle East region, is presented.
Abstract: [1] This paper presents an intercomparison and evaluation of gridded temperature and precipitation data sets, based on observations in the Mediterranean and the Middle East region. Using available global and regional data, we investigate the spatial and seasonal distributions of these two parameters, including uncertainties and trends for eight subregions that signify distinct climate regimes. All data sets represent the overall spatial features well though partly with biases. Using the seasonal means, standard deviations and cumulative density functions for the eight subregions, we identify outliers among the data sets. The correlations between data sets are high except for some regional data products. Desert areas such as Saudi Arabia and Libya-Egypt appear problematic due to their sparse station network. Similar upward trends of temperature and downward trends in precipitation are found for most of the region in all data sets, while differences appear in their magnitude and level of significance.

101 citations


Journal ArticleDOI
TL;DR: In this paper, the authors used a global 3-dimensional model (IMPACT) to test the results of different mechanisms for the production of secondary organic aerosol (SOA).
Abstract: . Recent experimental findings indicate that secondary organic aerosol (SOA) represents an important and, under many circumstances, the major fraction of the organic aerosol burden. Here, we use a global 3-D model (IMPACT) to test the results of different mechanisms for the production of SOA. The basic mechanism includes SOA formation from organic nitrates and peroxides produced from an explicit chemical formulation, using partition coefficients based on thermodynamic principles together with assumptions for the rate of formation of low-volatility oligomers. We also include the formation of low-volatility SOA from the reaction of glyoxal and methylglyoxal on aqueous aerosols and cloud droplets as well as from the reaction of epoxides on aqueous aerosols. A model simulation including these SOA formation mechanisms gives an annual global SOA production of 120.5 Tg. The global production of SOA is decreased substantially to 90.8 Tg yr−1 if the HOx regeneration mechanism proposed by Peeters et al. (2009) is used. Model predictions with and without this HOx (OH and HO2 regeneration scheme are compared with multiple surface observation datasets, namely: the Interagency Monitoring of Protected Visual Environments (IMPROVE) for the United States, the European Monitoring and Evaluation Programme (EMEP), and aerosol mass spectrometry (AMS) data measured in both the Northern Hemisphere and tropical forest regions. All model simulations show reasonable agreement with the organic carbon mass observed in the IMPROVE network and the AMS dataset, however observations in Europe are significantly underestimated, which may be caused by an underestimation of primary organic aerosol emissions (POA) in winter and of emissions and/or SOA production in the summer. The modeled organic aerosol concentrations tend to be higher by roughly a factor of three when compared with measurements at three tropical forest sites. This overestimate suggests that more measurements and model studies are needed to examine the formation of organic aerosols in the tropics. The modeled organic carbon (OC) in the free troposphere is in agreement with measurements in the ITCT-2K4 aircraft campaign over North America and in pollution layers off Asia during the INTEX-B campaign, although the model underestimates OC in the free troposphere in comparison with the ACE-Asia campaign off the coast of Japan.

95 citations


Journal ArticleDOI
TL;DR: The recent decline in sea ice cover in the Arctic Ocean could affect the regional radiative forcing via changes in the sea ice-atmosphere exchange of dimethyl sulfide (DMS) and biogenic aerosols formed from its atmospheric oxidation, such as methanesulfonic acid (MSA) as discussed by the authors.
Abstract: The recent decline in sea ice cover in the Arctic Ocean could affect the regional radiative forcing via changes in sea ice-atmosphere exchange of dimethyl sulfide (DMS) and biogenic aerosols formed from its atmospheric oxidation, such as methanesulfonic acid (MSA) This study examines relationships between changes in total sea ice extent north of 70 degrees N and atmospheric MSA measurement at Alert, Nunavut, during 1980-2009; at Barrow, Alaska, during 1997-2008; and at Ny-Alesund, Svalbard, for 1991-2004 During the 1980-1989 and 1990-1997 periods, summer (July-August) and June MSA concentrations at Alert decreased In general, MSA concentrations increased at all locations since 2000 with respect to 1990 values, specifically during June and summer at Alert and in summer at Barrow and Ny-Alesund Our results show variability in MSA at all sites is related to changes in the source strengths of DMS, possibly linked to changes in sea ice extent as well as to changes in atmospheric transport patterns Since 2000, a late spring increase in atmospheric MSA at the three sites coincides with the northward migration of the marginal ice edge zone where high DMS emissions from ocean to atmosphere have previously been reported Significant negative correlations are found between sea ice extent and MSA concentrations at the three sites during the spring and June These results suggest that a decrease in seasonal ice cover influencing other mechanisms of DMS production could lead to higher atmospheric MSA concentrations

91 citations


Journal ArticleDOI
TL;DR: In this paper, two versions of a parameterization scheme to compute desert dust emissions are incorporated into the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry).
Abstract: . Airborne desert dust influences radiative transfer, atmospheric chemistry and dynamics, as well as nutrient transport and deposition. It directly and indirectly affects climate on regional and global scales. Two versions of a parameterization scheme to compute desert dust emissions are incorporated into the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry). One uses a globally uniform soil particle size distribution, whereas the other explicitly accounts for different soil textures worldwide. We have tested these two versions and investigated the sensitivity to input parameters, using remote sensing data from the Aerosol Robotic Network (AERONET) and dust concentrations and deposition measurements from the AeroCom dust benchmark database (and others). The two versions are shown to produce similar atmospheric dust loads in the N-African region, while they deviate in the Asian, Middle Eastern and S-American regions. The dust outflow from Africa over the Atlantic Ocean is accurately simulated by both schemes, in magnitude, location and seasonality. Approximately 70% of the modelled annual deposition data and 70–75% of the modelled monthly aerosol optical depth (AOD) in the Atlantic Ocean stations lay in the range 0.5 to 2 times the observations for all simulations. The two versions have similar performance, even though the total annual source differs by ~50%, which underscores the importance of transport and deposition processes (being the same for both versions). Even though the explicit soil particle size distribution is considered more realistic, the simpler scheme appears to perform better in several locations. This paper discusses the differences between the two versions of the dust emission scheme, focusing on their limitations and strengths in describing the global dust cycle and suggests possible future improvements.

77 citations


Journal ArticleDOI
TL;DR: In this paper, the influence of the North Atlantic Oscillation (NAO) on the atmospheric dispersion of pollution was examined by computing the emission, transport and removal of idealized insoluble gaseous and water-soluble aerosol tracers, tagged by the continent of origin.
Abstract: . We examined the influence of the North Atlantic Oscillation (NAO) on the atmospheric dispersion of pollution by computing the emission, transport and removal of idealized insoluble gaseous and water-soluble aerosol tracers, tagged by the continent of origin. We simulated a period of 50 yr (1960–2010), using the ECHAM5/MESSy1 atmospheric chemistry (EMAC) general circulation model. The model accounts for anthropogenic, biogenic and biomass burning sources, removal of trace gases through OH oxidation, and precipitation, sedimentation and deposition of aerosols. The model is shown to reproduce the observed spatial features of the NAO, moisture transports and precipitation. During high NAO phase seasons the axis of maximum westerly North American trace gas transports extends relatively far to the north and east over Europe. The NAO phase is significantly correlated with North American insoluble gas and soluble aerosol tracer concentrations over the northwestern Atlantic Ocean and across northern Europe, and with European trace gases and aerosols over Africa and north of the Arctic circle. We find a strong anti-correlation between the phase of the NAO and European pollutant gas concentration over western and central Europe.

62 citations


Journal ArticleDOI
TL;DR: Perturbative and nonperturbative results on the renormalization constants of the quark field and the vector, axial-vector, pseudoscalar, scalar and tensor currents are presented in this article.
Abstract: Perturbative and nonperturbative results are presented on the renormalization constants of the quark field and the vector, axial-vector, pseudoscalar, scalar, and tensor currents. The perturbative computation, carried out at one-loop level and up to second order in the lattice spacing, is performed for a fermion action, which includes the clover term and the twisted mass parameter yielding results that are applicable for unimproved Wilson fermions, as well as for improved clover and twisted mass fermions. We consider ten variants of the Symanzik improved gauge action corresponding to ten different values of the plaquette coefficients. Nonperturbative results are obtained using the twisted mass Wilson fermion formulation employing two degenerate dynamical quarks and the tree-level Symanzik improved gluon action. The simulations are performed for pion masses in the range of 480--260 MeV and at three values of the lattice spacing, $a$, corresponding to $\ensuremath{\beta}=3.9$, 4.05, 4.20. For each renormalization factor computed nonperturbatively we subtract its perturbative $\mathcal{O}({a}^{2})$ terms so that we eliminate part of the cutoff artifacts. The renormalization constants are converted to $\overline{\mathrm{MS}}$ at a scale of $\ensuremath{\mu}=2\text{ }\text{ }\mathrm{GeV}$. The perturbative results depend on a large number of parameters and are made easily accessible to the reader by including them in the distribution package of this paper, as a Mathematica input file.

59 citations


Journal ArticleDOI
TL;DR: This work proposes a novel multi-scale, agent-based computational model that includes both angiogenesis and EGFR modules to study the response of brain cancer under tyrosine kinase inhibitors (TKIs) treatment and demonstrates that entire tumor growth profile is a collective behaviour of cells regulated by the EGFR signaling pathway and the cell cycle.
Abstract: The epidermal growth factor receptor (EGFR) signaling pathway and angiogenesis in brain cancer act as an engine for tumor initiation, expansion and response to therapy. Since the existing literature does not have any models that investigate the impact of both angiogenesis and molecular signaling pathways on treatment, we propose a novel multi-scale, agent-based computational model that includes both angiogenesis and EGFR modules to study the response of brain cancer under tyrosine kinase inhibitors (TKIs) treatment. The novel angiogenesis module integrated into the agent-based tumor model is based on a set of reaction–diffusion equations that describe the spatio-temporal evolution of the distributions of micro-environmental factors such as glucose, oxygen, TGFα, VEGF and fibronectin. These molecular species regulate tumor growth during angiogenesis. Each tumor cell is equipped with an EGFR signaling pathway linked to a cell-cycle pathway to determine its phenotype. EGFR TKIs are delivered through the blood vessels of tumor microvasculature and the response to treatment is studied. Our simulations demonstrated that entire tumor growth profile is a collective behaviour of cells regulated by the EGFR signaling pathway and the cell cycle. We also found that angiogenesis has a dual effect under TKI treatment: on one hand, through neo-vasculature TKIs are delivered to decrease tumor invasion; on the other hand, the neo-vasculature can transport glucose and oxygen to tumor cells to maintain their metabolism, which results in an increase of cell survival rate in the late simulation stages.

Journal ArticleDOI
TL;DR: In this article, a benchmark watershed was established in the dry rangelands of Jordan and a methodology for identifying the suitability for different rainwater harvesting interventions using participatory GIS approach and field survey was developed.
Abstract: The dry rangelands of West Asia and North Africa are fragile and severely degraded due to low rainfall and mismanagement of natural resources. Rainwater harvesting (RWH) interventions are used to increase soil moisture content, vegetation cover, and productivity. However, adoption of rainwater harvesting by communities is slow. To understand adoption constraints and to develop options for sustainable integration of rainwater harvesting, a benchmark watershed was established in the dry rangelands of Jordan. The objective is to develop a methodology for identifying the suitability for different rainwater harvesting interventions using participatory GIS approach and field survey. The main biophysical parameters used to assess the suitability for rainwater harvesting were slope, soil depth, soil texture, and stoniness. Criteria for each parameter were integrated and a suitability map was produced using raster-based and polygon-based analysis. To integrate biophysical and socio-economic aspects, the land tenur...

Journal ArticleDOI
TL;DR: In this paper, the authors evaluated the skill of the EMAC atmospheric chemistry-climate model to predict the aerosol optical depth (AOD) by comparing with remote sensing data products from AERONET, MODIS, MISR and CALIOP with a focus on the Mediterranean region.

Journal ArticleDOI
TL;DR: In this article, a field measurement campaign was performed in the Huabei region, located between 32°42° N latitude in eastern China, during the period 2 April-16 May 2006 as part of the project "Influence of Pollution on Aerosols and Cloud Microphysics in North China" (IPAC-NC).
Abstract: . In the past decades, regional air pollution characterized by photochemical smog and grey haze-fog has become a severe environmental problem in China. To investigate this, a field measurement campaign was performed in the Huabei region, located between 32–42° N latitude in eastern China, during the period 2 April–16 May 2006 as part of the project "Influence of Pollution on Aerosols and Cloud Microphysics in North China" (IPAC-NC). It appeared that strong pollution emissions from urban and industrial centers tend to accumulate in the lower atmosphere over the central area of Huabei. We observed widespread, very high SO2 mixing ratios, about 20–40 ppbv at 0.5–1.5 km altitude and 10–30 ppbv at 1.5–3.0 km altitude. Average CO mixing ratios were 0.65–0.7 ppmv at 0.5–1.5 km altitude, and very high CO around 1 ppmv was observed during some flights, and even higher levels at the surface. We find the high pollution concentrations to be associated with enhanced levels of OH and HO2 radicals, calculated with a chemical box model constrained by the measurements. In the upper part of the boundary layer and in the lower free troposphere, high CO and SO2 compete with relatively less NO2 in reacting with OH, being efficiently recycled through HO2, preventing a net loss of HOx radicals. In addition to reactive hydrocarbons and CO, the oxidation of SO2 causes significant ozone production over Huabei (up to ~13% or 2.0 ppbv h−1 at 0.8 km altitude). Our results indicate that the lower atmosphere over Huabei is not only strongly polluted but also acts as an oxidation pool, with pollutants undergoing very active photochemistry over this part of China.

Journal ArticleDOI
TL;DR: In this paper, a modified version of RWEQ that represents wind erosion as a transient process, using time steps of 6h was implemented to estimate the net soil loss from the experimental fields, which provided acceptable predictions for the average mass flux from the measurement plot with a linear regression coefficient of 0.57 and 0.83 for the 20 wind events at the six tested plots.

Journal ArticleDOI
TL;DR: In this paper, the authors used trace gases within the anticyclone by the CARIBIC flying observatory revealed large enhancements in the greenhouse gas methane (CH4), which increased over the course of the monsoon.
Abstract: [1] During the summer monsoon the upper troposphere over South Asia is characterized by the monsoon anticyclone centered above the Tibetan Plateau. Surface air that has been rapidly transported upwards through deep convection becomes trapped within the strong anticyclonic circulation. Observations of trace gases within this anticyclone by the CARIBIC flying observatory revealed large enhancements in the greenhouse gas methane (CH4), which increased over the course of the monsoon. Meteorological analysis indicated that these air masses originated primarily in India, for which relatively little is known about CH4 emissions. Using correlations between concentrations of CH4 and carbon monoxide (CO) we estimated total emissions of 30.8 Tg CH4during the 2008 monsoon season (June–September), 19.7 Tg of which were identified as additional, monsoon-related biogenic methane using the relationship of CH4 to ethane (C2H6). After accounting for the ∼3.9 Tg attributed to rice agriculture in the current inventories, ∼15.8 Tg of additional CH4 remain. Underestimated rice emissions provide a partial explanation, with the remainder most likely attributable to microbial production in waterlogged areas such as landfills, polluted waterways and wetlands.

Journal ArticleDOI
TL;DR: A detailed bin aerosol-microphysics scheme has been implemented into the Weather Research and Forecast Model to investigate the effects of aerosol solubility and regeneration on mixed-phase orographic clouds and precipitation as mentioned in this paper.
Abstract: A detailed bin aerosol-microphysics scheme has been implemented into the Weather Research and Forecast Model to investigate the effects of aerosol solubility and regeneration on mixed-phase orographic clouds and precipitation. Two-dimensional simulations of idealized moist flow over two identical bell-shaped mountains were carried out using different combinations of aerosol regeneration, solubility, loading, ice nucleation parameterizations, and humidity. The results showed the following. 1) Pollution and regenerated aerosols suppress the riming process in mixed-phase clouds by narrowing the drop spectrum. In general, the lower the aerosol solubility, the broader the drop spectrum and thus the higher the riming rate. When the solubility of initial aerosol increases with an increasing size of aerosol particles, the modified solubility of regenerated aerosols reduces precipitation. 2) The qualitative effects of aerosol solubility and regeneration on mixed-phase orographic clouds and precipitation ar...

Journal ArticleDOI
TL;DR: In this paper, the dispersion relations of mesons and baryons built from Brillouin quarks on one gauge ensemble provided by QCDSF were studied. But the results were limited to quark masses in the range of the physical charm quark mass.
Abstract: We study the dispersion relations of mesons and baryons built from Brillouin quarks on one ${N}_{f}=2$ gauge ensemble provided by QCDSF. For quark masses up to the physical strange quark mass, there is hardly any improvement over the Wilson discretization, if either action is link-smeared and tree-level clover improved. For quark masses in the range of the physical charm quark mass, the Brillouin action still shows a perfect relativistic behavior, while the Wilson action induces severe cutoff effects. As an application we determine the masses of the ${\ensuremath{\Omega}}_{c}^{0}$, ${\ensuremath{\Omega}}_{cc}^{+}$ and ${\ensuremath{\Omega}}_{ccc}^{++}$ baryons on that ensemble.

Journal ArticleDOI
TL;DR: In this article, the low-lying strange and charm baryons were evaluated using two degenerate flavors of twisted mass sea quarks for pion masses in the range of about 260 MeV to 450 MeV.
Abstract: The masses of the low-lying strange and charm baryons are evaluated using two degenerate flavors of twisted mass sea quarks for pion masses in the range of about 260 MeV to 450 MeV. The strange and charm valence quark masses are tuned to reproduce the mass of the kaon and Dmeson at the physical point. The tree-level Symanzik improved gauge action is employed. We use three values of the lattice spacing, corresponding to β = 3.9, β = 4.05 and β = 4.2 with r0/a = 5.22(2), r0/a = 6.61(3) and r0/a = 8.31(5) respectively. We examine the dependence of the strange and charm baryons on the lattice spacing and strange and charm quark masses. The pion mass dependence is studied and physical results are obtained using heavy baryon chiral perturbation theory to extrapolate to the physical point.

Journal ArticleDOI
TL;DR: In this article, a numerical modeling study investigating the impact of mineral dust on cloud formation over the Eastern Mediterranean for two case studies: (i) 25 September 2008 and (ii) 28/29 January 2003.
Abstract: . We present a numerical modelling study investigating the impact of mineral dust on cloud formation over the Eastern Mediterranean for two case studies: (i) 25 September 2008 and (ii) 28/29 January 2003. In both cases dust plumes crossed the Mediterranean and interacted with clouds forming along frontal systems. For our investigation we used the fully online coupled model WRF-chem. The results show that increased aerosol concentrations due to the presence of mineral dust can enhance the formation of ice crystals. This leads to slight shifts of the spatial and temporal precipitation patterns compared to scenarios where dust was not considered to act as ice nuclei. However, the total amount of precipitation did not change significantly. The only exception occurred when dust entered into an area of orographic ascent, causing glaciation of the clouds, leading to a local enhancement of rainfall. The impact of dust particles acting as giant cloud condensation nuclei on precipitation formation was found to be small. Based on our simulations the contribution of dust to the CCN population is potentially significant only for warm phase clouds. Nevertheless, the dust-induced differences in the microphysical structure of the clouds can contribute to a significant radiative forcing, which is important from a climate perspective.

Journal ArticleDOI
TL;DR: This review focuses on the DND problem and the challenges it poses to computational methods, followed by an examination of the reported methodologies and specific applications.
Abstract: De-novo drug design (DND) is a complex procedure, requiring the satisfaction of many pharmaceutically important objectives. Several computational methodologies employing various optimization approaches have been developed to search for satisfactory solutions to this multi-objective problem varying from composite methods, which transform the problem to a single objective one to Pareto methods searching for numerous solutions compromising the objectives. In this review we initially focus on the DND problem and the challenges it poses to computational methods, followed by an examination of the reported methodologies and specific applications. Emphasis is placed on the multiobjective nature of the problem, related considerations and the solutions proposed by the drug discovery community.

Journal ArticleDOI
TL;DR: In this paper, the effects of aerosol particles on the formation of convective clouds and precipitation in the Eastern Mediterranean Sea, with a special emphasis on the role of mineral dust particles in these processes, were investigated.
Abstract: . This study focuses on the effects of aerosol particles on the formation of convective clouds and precipitation in the Eastern Mediterranean Sea, with a special emphasis on the role of mineral dust particles in these processes. We used a new detailed numerical cloud microphysics scheme that has been implemented in the Weather Research and Forecast (WRF) model in order to study aerosol–cloud interaction in 3-D configuration based on 1° × 1° resolution reanalysis meteorological data. Using a number of sensitivity studies, we tested the contribution of mineral dust particles and different ice nucleation parameterizations to precipitation development. In this study we also investigated the importance of recycled (regenerated) aerosols that had been released to the atmosphere following the evaporation of cloud droplets. The results showed that increased aerosol concentration due to the presence of mineral dust enhanced the formation of ice crystals. The dynamic evolution of the cloud system sets the time periods and regions in which heavy or light precipitation occurred in the domain. The precipitation rate, the time and duration of precipitation were affected by the aerosol properties only at small spatial scales (with areas of about 20 km2). Changes of the ice nucleation scheme from ice supersaturation-dependent parameterization to a recent approach of aerosol concentration and temperature-dependent parameterization modified the ice crystals concentrations but did not affect the total precipitation in the domain. Aerosol regeneration modified the concentration of cloud droplets at cloud base by dynamic recirculation of the aerosols but also had only a minor effect on precipitation. The major conclusion from this study is that the effect of mineral dust particles on clouds and total precipitation is limited by the properties of the atmospheric dynamics and the only effect of aerosol on precipitation may come from significant increase in the concentration of accumulation mode aerosols. In addition, the presence of mineral dust had a much smaller effect on the total precipitation than on its spatial distribution.

Journal ArticleDOI
TL;DR: It is shown that the number of noise vectors depends on the operator insertion in the fermion loop, and several noise reduction techniques are studied.

Book ChapterDOI
01 Jan 2012
TL;DR: This work considers large-scale linear inverse problems with a simulation-based algorithm that approximates the solution within a low-dimensional subspace and implements importance sampling schemes, specially tailored to the structure of inverse problems.
Abstract: We consider large-scale linear inverse problems with a simulation-based algorithm that approximates the solution within a low-dimensional subspace. The algorithm uses Tikhonov regularization, regression, and low-dimensional linear algebra calculations and storage. For sampling efficiency, we implement importance sampling schemes, specially tailored to the structure of inverse problems. We emphasize various alternative methods for approximating the optimal sampling distribution and we demonstrate their impact on the reduction of simulation noise. The performance of our algorithm is tested on a practical inverse problem arising from Fredholm integral equations of the first kind.

Journal ArticleDOI
TL;DR: In this paper, the photolysis frequencies of ozone (O3; to singlet oxygen, JO1D) and nitrogen dioxide (NO2; JNO2) were recorded at the remote coastal site Finokalia (35°20′N, 25°40′E), on the island of Crete, Greece, during the period 2002-2006.
Abstract: [1] The photolysis frequencies of ozone (O3; to singlet oxygen, JO1D) and nitrogen dioxide (NO2; JNO2) were recorded at the remote coastal site Finokalia (35°20′N, 25°40′E), on the island of Crete, Greece, during the period 2002–2006. We present a study of their main climatological aspects and a quantification of the effect of aerosol and total ozone column on these frequencies. The 5-yr mean Aerosol Optical Depth (AOD) at 380 nm in the area is equal to 0.27 ± 0.13 and reduces JNO2by 5%–14% at a solar zenith angle (sza) of 60°, compared to an aerosol-free atmosphere. It also leads to a similar reduction of JO1D by 5%–15% at the 60° sza, for an average total ozone column (300–320 Dobson units (DU)). The effect of regional background AOD (∼0.1) is a reduction of JNO2 and JO1D by up to 6% for sza in the range 15° to75°, respectively. During high aerosol loads (AOD 0.5–0.7) the percentage reduction of Js was found to be as much as 30%–40% at high sza. The day-to-day variability of total ozone column over the area, of the order of 20 DU, was found to result in a 12% change in JO1D at 60° sza as compared with zero AOD conditions. A reduction of Js corresponding to a 24% decrease in the local noon JO1D value and a 5% decrease in local noon JNO2 were found to result in a 12% reduction in the 24 h mean net chemical production of O3, using a chemical box model.


Journal ArticleDOI
TL;DR: A research framework for CH research is proposed, which is an extension to Predictive Rendering that introduces a temporal component and addresses uncertainty that is important for the scene’s historical interpretation.
Abstract: High-fidelity rendering can be used to investigate Cultural Heritage (CH) sites in a scientifically rigorous manner. However, a high degree of realism in the reconstruction of a CH site can be misleading insofar as it can be seen to imply a high degree of certainty about the displayed scene—which is frequently not the case, especially when investigating the past. So far, little effort has gone into adapting and formulating a Predictive Rendering pipeline for CH research applications. In this paper, we first discuss the goals and the workflow of CH reconstructions in general, as well as those of traditional Predictive Rendering. Based on this, we then propose a research framework for CH research, which we refer to as ‘Cultural Heritage Predictive Rendering’ (CHPR). This is an extension to Predictive Rendering that introduces a temporal component and addresses uncertainty that is important for the scene’s historical interpretation. To demonstrate these concepts, two example case studies are detailed. © 2012 Wiley Periodicals, Inc. (High-fidelity rendering can be used to investigate Cultural Heritage (CH) sites in a scientifically rigorous manner. However, a high degree of realism in the reconstruction of a CH site can be misleading insofar as it can be seen to imply a high degree of certainty about the displayed scene-which is frequently not the case, especially when investigating the past. So far, little effort has gone into adapting and formulating a Predictive Rendering pipeline for CH research applications. In this paper, we first discuss the goals and the workflow of CH reconstructions in general, as well as those of traditional Predictive Rendering. Based on this, we then propose a research framework for CH research, which we refer to as ‘Cultural Heritage Predictive Rendering’ (CHPR).)

Journal ArticleDOI
TL;DR: In this article, the effect of these optical and geometrical errors is numerically simulated using a ray-tracing code and their relative significance is assessed, and the main mechanisms contributing to these sources are identified and modeled.
Abstract: Error sources introduced into mirror tracking systems, arising from component limitations, construction and placement of the reflectors, and the discrete motion of the tracking system itself, are examined. The main mechanisms contributing to these sources are identified and modeled. The effect of these optical and geometrical errors is numerically simulated using a ray-tracing code and their relative significance is assessed.

Journal ArticleDOI
TL;DR: A review of recent progress in lattice hadron structure calculations within lattice QCD is presented in this article, with a focus on open issues such as the axial charge, the quark momentum fraction and the spin content of the nucleon.

Journal ArticleDOI
TL;DR: The quark mass ratio m(c)/m(s) on the lattice is determined, using Wilson-type fermions, and a sophisticated, mass-independently O(a)-improved Wilson- type action with small cutoff effects even in the charm mass region is used.
Abstract: We determine the quark mass ratio ${m}_{c}/{m}_{s}$ on the lattice, using Wilson-type fermions. Configurations with ${N}_{f}=2$ dynamical clover-improved fermions by the QCDSF Collaboration are used, which were made available through the ILDG. In the valence sector we use a sophisticated, mass-independently $O(a)$-improved Wilson-type action with small cutoff effects even in the charm mass region. After an extrapolation to the physical pion mass, to zero lattice spacing and to infinite box volume, we find ${m}_{c}/{m}_{s}=11.27(30)(26)$.