Chemical transport model models chemical. Medical search. Frequent questions

It can be driven by standard meteorological fields from, for example,the National Centers for Environmental Prediction (NCEP), the European Centre for Medium-Range Weather Forecasts (ECMWF) and the Global Modeling and Assimilation Office (GMAO), or by fields generated from general circulation models. (wikipedia.org)
We assess the radiative effect of clouds on photolysis frequencies and key oxidants in the troposphere with a global three-dimensional (3-D) chemical transport model (GEOS-CHEM) driven by assimilated meteorological observations from the Goddard Earth Observing System data assimilation system (GEOS DAS) at the NASA Global Modeling and Assimilation Office (GMAO). (nasa.gov)
We processed the NCEP Reanalysis global meteorological fields from 2010 to 2018 through the 3D-WRF meteorological model . (urbanemissions.info)
Single-point models are driven by a common set of site-specific meteorological and environmental conditions. (nasa.gov)
Off-line chemical transport models (CTMs) use archived meteorological data from a general circulation model (GCM) to drive transport. (harvard.edu)
Independent of the production models, surface air concentrations and deposition fluxes from all simulations show similar seasonal variations, suggesting a dominant meteorological influence. (lu.se)

The models were evaluated by comparison with annually averaged measurements of gas, aerosol and precipitation concentrations from the national monitoring networks. (nerc.ac.uk)
They were generally able to satisfy a criterion of 'fitness for purpose' that at least 50% of modelled concentrations should be within a factor of two of measured values. (nerc.ac.uk)
Overall, simpler models were able to give a good representation of measured gas concentrations whilst the use of dynamic meteorology, and complex photo-chemical reactions resulted in a generally better representation of measured aerosol and precipitation concentrations by more complex models. (nerc.ac.uk)
Ultimately, models that are used to simulate the dispersion of substances over e.g., the European continent or to predict ambient air concentrations and deposition rates in a high spatial and temporal resolution can be very comprehensive. (hereon.de)
Consideration of methane emissions in the modelling of ozone concentrations in chemical transport models. (rifs-potsdam.de)
None of the models studied here rely exclusively on methane emission data, but rather adjust their modelled methane concentrations to be consistent with observations. (rifs-potsdam.de)
The program brings together 12 full-time faculty allowing students to choose from wide range of concentrations such as biological oceanography, chemical oceanography, and physical oceanography. (ubc.ca)
This work analyses the impact of implementing hourly plume rise calculations over Spain in terms of: i) vertical emission allocations and ii) modelled air quality concentrations. (upc.edu)
However, the cumulative probability distribution functions (CDFs) of NOx, isoprene, and ozone concentrations show little difference across model resolutions and good agreement with observations, suggesting that smaller-scale non-linearities are not important on the regional scale. (harvard.edu)
The model results are comprehensively evaluated with a large number of measurements including surface air concentrations and deposition fluxes. (lu.se)
The contribution of wildfire emissions to PM2.5 concentrations in Portugal was assessed through EMEP-MSC/W model. (bvsalud.org)

We compare these observations against nine widely used chemical transport models and find that the simulations show more scatter (generally R2 (unh.edu)
These prediction models are commonly trained using the historical measurement datasets independently collected at the environmental monitoring stations and their operational forecasts in advance using inputs of the real-time ambient pollutant observations. (copernicus.org)
Sea-salt aerosol global models are typically evaluated against concentration observations at coastal stations that are unaffected by local surf conditions and thus considered representative of open ocean conditions. (upc.edu)
Using different experiments and observations sources, we shown how the Data Assimilation can improve the model representation of pollutants. (intechopen.com)
Using aircraft observations of isoprene and NOx over the Southeast US, we find that high-resolution models better capture the spatial segregation of emissions and the subsequent chemical oxidation pathways of these emitted chemicals. (harvard.edu)

MOZART4 improves MOZART2's chemical mechanisms, photolysis scheme, dry deposition mechanism, biogenic emissions and handling of tropospheric aerosols. (wikipedia.org)
They often require a lot of input variables (e.g., meteorology, emissions) and parameters (e.g., physical-chemical constants). (hereon.de)
We employed direct numerical simulations to estimate the error on chemical calculation in simulations with regional chemical-transport models induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in an urban boundary layer with strong and heterogeneously distributed surface emissions. (copernicus.org)
With heterogeneous surface emissions of the two reactants, the resultant normalised boundary-layer-averaged effective chemical reaction rate is found to be in a Gaussian function of D a , and it is increasingly overestimated by the imposed rate with an increased horizontal scale of emission heterogeneity. (copernicus.org)
Coarse-grid models with resolutions commensurable to regional models give reduced yet still significant errors for all simulations with homogeneous emissions. (copernicus.org)
However, such improvement cannot be seen for simulations with heterogeneous emissions when the horizontal resolution of the model cannot resolve emission heterogeneity. (copernicus.org)
For the road transport emissions inventory, besides the total number of vehicles and their usage information, we also utilized vehicle speed information to spatially and temporally allocate the estimated emissions to the respective grids. (urbanemissions.info)
The spatiotemporal variability of natural and anthropogenic SO2 emissions, and hence of global sulfate aerosol abundance, is poorly constrained, impacting the accuracy of climate models. (mtu.edu)

It is designed for modelling dispersion of pollutants (in particular photochemical and aerosol) at mesoscales (medium scale, generally concerned with systems a few hundred kilometers in size). (wikipedia.org)
In contrast, deterministic chemical transport models (CTMs), which simulate the full life cycles of air pollutants, provide predictions that are continuous in the 3D field. (copernicus.org)
Despite their benefits, CTM predictions are typically biased, particularly on a fine scale, owing to the complex error sources due to the emission, transport, and removal of pollutants. (copernicus.org)
The modeling work focuses on the ecosystems and human health impact due to the exposition of several pollutants transported from long-range places and deposited. (intechopen.com)

Chemical transport models often underestimate aerosol acidity in remot" by Benjamin A. Nault, Pedro Campuzano-Jost et al. (unh.edu)
The atmospheric component of the GFDL Earth System Model (ESM4.1) uses a bulk aerosol scheme and previously prescribed the distribution of aerosol optical properties in the stratosphere. (noaa.gov)
We find that the simulated stratospheric sulfate mass burden and aerosol optical depth in the model are sensitive to these parameters, especially volcanic SO2 injection height, and the optimal combination of parameters depends on the metric we evaluate. (noaa.gov)
Reduced uncertainties in the production rates, as demonstrated in this study, improve the utility of 7Be and 10Be as aerosol tracers for evaluating and testing transport and scavenging processes in global models. (lu.se)

2023: A single-point modeling approach for the intercomparison and evaluation of ozone. (nasa.gov)

Based on existing model datasets, we quantify the contribution of methane to annual-average surface ozone in Germany at 20 μg/m³, with only 3.2 μg/m³ of this due to oxidation of methane in the European region. (rifs-potsdam.de)

MOZART was designed to simulate tropospheric chemical and transport processes, but has been extended (MOZART3) into the stratosphere and mesosphere. (wikipedia.org)
Scientific modelling is an activity that produces models representing empirical objects, phenomena, and physical processes, to make a particular part or feature of the world easier to understand , define , quantify , visualize , or simulate . (wikipedia.org)
Different types of models may be used for different purposes, such as conceptual models to better understand, operational models to operationalize , mathematical models to quantify, computational models to simulate, and graphical models to visualize the subject. (wikipedia.org)
[10] For instance, models that are rendered in software allow scientists to leverage computational power to simulate, visualize, manipulate and gain intuition about the entity, phenomenon, or process being represented. (wikipedia.org)
The model can also reasonably simulate the stratosphere-Troposphere exchange process of 7Be and 10Be by producing stratospheric contribution and 10Be/7Be ratio values that agree with measurements. (lu.se)

and transport and diffusion models simulating the contaminant transport based on the flow and turbulence fields generated by the regional model. (health.mil)
There have been extensive efforts over the last ∼60 years to model and otherwise quantify fluid flow and chemical (contaminant) transport in soils and subsurface geological formations, from millimeter-size, laboratory microfluidic cells to aquifer field scales extending to hundreds of meters and even tens of kilometers. (copernicus.org)
We develop models from the smallest, molecular scale dynamics models to large scale global contaminant fate models. (su.se)
Open-source geographically explicit global-scale multimedia contaminant fate model. (su.se)

A variety of different modelling methodologies have been adopted, which include employing concepts from fractal physics, for example. (nottingham.ac.uk)

An evaluation has been made of a number of contrasting atmospheric chemical transport models, of varying complexity, applied to estimate sulphur and nitrogen deposition in the UK. (nerc.ac.uk)
Modelling activities will guide the APE mission both in the planning of the flights and in the data evaluation. (europa.eu)
Here, we introduce Activity 2 of the Air Quality Model Evaluation International Initiative Phase 4 (AQMEII4). (nasa.gov)
Combining 7Be and 10Be measurements with an atmospheric transport model can not only improve our understanding of the radionuclide transport and deposition processes but also provide an evaluation of the transport process in the model. (lu.se)

Accurate assessment of the consequences requires high quality modelling tools along with good emission data. (rifs-potsdam.de)
In simulations of initially segregated reactive species with an entrainment-emission configuration with an A-B-C second-order chemical scheme, urban surface emission fluxes of the homogeneously emitted tracer A result in a very large segregation between the tracers and hence a very large overestimation of the effective chemical reaction rate in a complete-mixing model. (copernicus.org)

TCAM is a multiphase three-dimensional eulerian grid model (as opposed to lagrangian or other modeling methods). (wikipedia.org)
These methods allowed formulation of continuum-scale, generally Eulerian, partial differential equations to quantify ("model") fluid flow and chemical transport, which were then applied in the soil and groundwater literature at length scales ranging from millimeters to full aquifers. (copernicus.org)
In an Eulerian chemical-transport model, these processes and characteristics often occur at a length scale smaller than the size of a model grid box that the resultant chemical segregation cannot be represented, as the chemical species are assumed to be instantaneously and homogeneously mixed within a grid box. (copernicus.org)

Geoscientific Model Development , 16 (23), 7037-7057. (lu.se)

Indeed, much research on flow and transport in porous media, dating since ∼1950 , has been based on the search for length scales at which one can define a "representative elementary volume" or otherwise-named "averaging volume", above which variability in fluid and chemical properties becomes constant. (copernicus.org)
However, while analysis of fluid flow using these methods has proven relatively effective, modeling of chemical transport, and an accounting of associated (biogeo)chemical reactions in cases of reactive chemical species and/or host porous media, has revealed serious limitations. (copernicus.org)
In thermo-chemical reduction, porous microparticles of iron oxides are reduced with green hydrogen to porous microparticles of pure iron. (tu-darmstadt.de)
It is important to determine the nature of the structure of a porous solid in order to fully understand transport processes that may be taking place within those materials (see below). (nottingham.ac.uk)
The different applications of porous media mentioned above involve a variety of transport phenomena. (nottingham.ac.uk)
The structural architecture of porous media will significantly influence the rates of the various transport processes that occur within them. (nottingham.ac.uk)
This work involves the construction of models for the transport processes and porous structures, and the subsequent validation of the model predictions against experimental data. (nottingham.ac.uk)
Mercury intrusion data can be used to provide the quantitative information required in transport models for water, heat and chemicals in porous media. (epa.gov)

Turbulence mixes initially segregated reactive species in the boundary layer and allows chemical reactions to occur. (copernicus.org)
However, for fast chemical reactions with the chemical timescale shorter than the turbulent timescale, turbulent motions mix the reactants so slowly that they remain segregated rather than reacting. (copernicus.org)
For reduction and oxidation, the reactions and their coupling to transport processes must first be understood for individual particles, since both heat and mass transfer between particles and the surrounding gas phase and the kinetics of the heterogeneous surface reaction can potentially be rate-determining processes. (tu-darmstadt.de)
Hydrogen is not directly a greenhouse gas, but its chemical reactions change the abundances of the greenhouse gases methane, ozone, and stratospheric water vapor, as well as aerosols. (noaa.gov)
A model of residual chlorine decay in water pipe has been developed, given the consumption of chlorine in reactions with chemicals in bulk water, bio-films on pipe wall, in corrosion process, and the mass transport of chlorine from bulk water to pipe wall. (who.int)

Efforts have been made to examine and quantify this error under different turbulent and chemical regimes in a range of atmospheric environments. (copernicus.org)

For this purpose, the experimental results, especially the heterogeneous surface kinetics, have to be integrated into the particle model. (tu-darmstadt.de)

Outcomes of resulting models have remained largely unsatisfactory, however, largely because domain heterogeneity - characterized for example by porosity, hydraulic conductivity and geochemical properties - is present over multiple length scales, and "unresolved", practically unmeasurable heterogeneities and preferential pathways arise at virtually every scale. (copernicus.org)
Models are typically used when it is either impossible or impractical to create experimental conditions in which scientists can directly measure outcomes. (wikipedia.org)
Direct measurement of outcomes under controlled conditions (see Scientific method ) will always be more reliable than modeled estimates of outcomes. (wikipedia.org)

Complete and true representation may be impossible, but scientific debate often concerns which is the better model for a given task, e.g., which is the more accurate climate model for seasonal forecasting. (wikipedia.org)
Knowledge about these and other processes is crucial for our understanding of climate variability and change both on global and regional scales, and to develop climate models for projections of future climates. (lu.se)

At a local scale estimates of both dry and wet deposition for individual 5 km × 5 km model grid squares were found to vary between the different models by up to a factor of 4. (nerc.ac.uk)
Dry deposition estimates differ across chemical transport models, yet an understanding of the model spread is incomplete. (nasa.gov)

A scientific model seeks to represent empirical objects, phenomena, and physical processes in a logical and objective way. (wikipedia.org)
Attempts to formalize the principles of the empirical sciences use an interpretation to model reality, in the same way logicians axiomatize the principles of logic . (wikipedia.org)
Based on available empirical data and modelling results, 2-nitrotoluene is expected to be persistent in air, water, soil and sediments but is not expected to bioaccumulate. (gc.ca)

TCAM): a mathematical modelling method (computer simulation) designed to model certain aspects of the Earth's atmosphere. (wikipedia.org)
This starts with a description by words or graphics (conceptual model) and goes up to complex mathematical or numerical simulation models that run on supercomputers. (hereon.de)
The repertory of numerical simulation models ranges from simple box models that can e.g., represent a closed system and contain only one substance in one compartment and thus require little computer power to elaborate three-dimensional grid models containing plenty of substances involved in a number of physical and chemical processes. (hereon.de)
Large inter-model differences remain in the simulation of ground-level ozone. (rifs-potsdam.de)
In this chapter a data assimilation system for the LOTOS-EUROS chemical transport model has been implemented to improve the simulation and forecast of Particulate Matter in a densely populated urban valley of the tropical Andes. (intechopen.com)
Within modeling and simulation , a model is a task-driven, purposeful simplification and abstraction of a perception of reality, shaped by physical, legal, and cognitive constraints. (wikipedia.org)
In order to execute the model, it needs to be implemented as a computer simulation . (wikipedia.org)
Re-computing the convective mass fluxes at the resolution of the CTM and adjusting for bias in the averaged boundary layer heights can partly restore the lost vertical transport in the coarse-resolution CTM simulation. (harvard.edu)

A chemical transport model (CTM) is a type of computer numerical model which typically simulates atmospheric chemistry and may give air pollution forecasting. (wikipedia.org)
The data coming form the payload will be interpreted by microphysical box models and by numerical Mie, Ray Tracing and T Matrix algorithms. (europa.eu)

but a CTM will be expected to accurately represent the entire cycle for the species of interest, including fluxes (e.g. advection), chemical production/loss, and deposition. (wikipedia.org)
We configure the schemes as single-point models at eight Northern Hemisphere locations with observed ozone fluxes. (nasa.gov)
Our findings are the beginning of results from AQMEII4 Activity 2, which brings scientists who model air quality and dry deposition together with scientists who measure ozone fluxes to evaluate and improve dry deposition schemes in the chemical transport models used for research, planning, and regulatory purposes. (nasa.gov)
We find that the deposition fluxes are more sensitive to the production in the troposphere and downward transport from the stratosphere. (lu.se)

I am also interested in transport phenomena in reservoir rocks. (nottingham.ac.uk)
By a model is meant a mathematical construct which, with the addition of certain verbal interpretations, describes observed phenomena. (wikipedia.org)
Dynamical models coupled to chemistry will run after each flight to get a first interpretation of stratospheric phenomena. (europa.eu)

Aims of the Airborne Polar Experiments is the study and the characterisation of the chemical and physical properties of PSC and stratospheric aerosols using an airborne platform. (europa.eu)
Chemical production of ozone and organic aerosols is highly non-linear, which can lead to errors when the subgrid scale variablity in their precursors are not captured. (harvard.edu)

Coulson and Richardson's Chemical Engineering: Volume 1A: Fluid Flow: Fundamentals and Applications, Seventh Edition, covers momentum transfer (fluid flow) which is one of the three main transport processes of interest to chemical engineers. (lu.se)

The negligence of such subgrid segregation induces potential errors to the calculation of the chemical transformation within a model grid of a large-scale model. (copernicus.org)

A scientist who develops or applies a model has to balance the complexity and expense of the model with the available input variables and parameters, the available computational resources and the demanded precision of the model results (Jacobson 2005). (hereon.de)
With increasing computational resources, the complexity of atmospheric models have also increased, resolving more physical and chemical processes that happen on smaller temporal and spatial scales. (harvard.edu)
In this work, I address some of the issues associated with modeling interacting physical and chemical processes that occur on widely different spatiotemporal scales, the tradeoffs between model complexity computational expense, and methods of alleviating some of these errors. (harvard.edu)

In this project, detailed single particle models for the thermo-chemical conversion (reduction and oxidation) of micro-sized particles will be developed in order to identify and model rate-controlling processes depending on the following influencing factors: Ambient conditions (temperature, composition of the gas atmosphere) and particle properties (particle size, porosity, etc. (tu-darmstadt.de)
The cross-platform sensor synergy provided by NASA's A-Train satellite constellation is advancing our knowledge of volcanic cloud composition and transport. (mtu.edu)
A schematic of chemical and transport processes related to atmospheric composition. (wikipedia.org)

Modeling is the science and art of using interconnected mathematical equations to predict the activities of an actual event, in this case the direction and extent of the chemical warfare agent plume. (health.mil)

The thermo-chemical oxidation of the iron particles with atmospheric oxygen to iron oxide particles represents the complementary process and closes the cycle. (tu-darmstadt.de)
In this subproject, a detailed single particle model for the thermo-chemical conversion (reduction and oxidation) of micro-sized particles will be developed in order to identify and model rate-controlling processes depending on the above-mentioned influencing factors. (tu-darmstadt.de)
Which kinetic parameters influence ignition delay time and burning rate, i.e., the time for full oxidation, during thermo-chemical oxidation? (tu-darmstadt.de)

While spatial averaging approaches are effective when considering overall fluid flow, wherein pressure propagation is essentially instantaneous, purely spatial averaging approaches are far less effective for chemical transport essentially because well-mixed conditions do not prevail. (copernicus.org)
Water quality models are used to predict the spatial and temporal variation of water quality throughout water system. (who.int)

Rather, we maintain that it is necessary to formulate, calibrate and apply models using measurements at similar scales of interest. (copernicus.org)
The project is articulated in detailed in-situ measurements coupled to microphysical, chemical and transport models and forecasts for addressing the uncertainties in the quantification of the ozone loss. (europa.eu)
Finally, we illustrate the importance of including the time-varying solar modulations in the production calculation, which significantly improve the agreement between model results and measurements, especially at mid-latitudes and high latitudes. (lu.se)

Our results provide observational guidance for three-dimensional hydrodynamical simulations of transport processes in the deep interiors of stars. (nature.com)

This model comprises the concepts, their behavior, and their relations informal form and is often referred to as a conceptual model . (wikipedia.org)

Mathematical models allow a more profound investigation of physical and chemical processes. (hereon.de)
These data are used to construct mathematical models of controlled drug release. (nottingham.ac.uk)

[12] It is task-driven because a model is captured with a certain question or task in mind. (wikipedia.org)

Statistical methods, particularly machine learning models, have gained significant popularity in air quality predictions. (copernicus.org)

For the first time, we demonstrate how contributions from depositional pathways vary across models. (nasa.gov)
Models can disagree with respect to relative contributions from the pathways, even when they predict similar deposition velocities, or agree with respect to the relative contributions but predict different deposition velocities. (nasa.gov)

Here, we use a model ensemble of five global atmospheric chemistry models to estimate the 100-year time-horizon Global Warming Potential (GWP100) of hydrogen. (noaa.gov)
It is anessential reference source for students of chemical engineering, for professionals in this field (as well as related disciplines such as applied chemistry, chemical technology, and process engineering), and for anyone with an interest in the subject. (lu.se)

Relating in vitro to in vivo exposures with physiologically-based tissue dosimetry and tissue response models. (cdc.gov)
Other types of scientific models are in vivo (living models, such as laboratory rats ) and in vitro (in glassware, such as tissue culture ). (wikipedia.org)
As will be dis- cussed in more detail later, the chemical mass transport across gas, liquid/ tissue, and blood phases of the airways, as determined by these properties, was conceptualized in terms of the overall mass-transport coefficient ( K g) as a measure of the conductivity of a chemical across the three phases. (cdc.gov)
In- versely, when expressed as its reciprocal (1/ K g), K g is also a measure of the overall mass-transport resistance of the radial transport of the absorbing gas from the gas phase, through the liquid/tissue, and into blood. (cdc.gov)

The cosmogenic radionuclides 7Be and 10Be are useful tracers for atmospheric transport studies. (lu.se)

In such cases, modeling uses obtainable data--the number of rockets, weather, and so forth--to develop a best estimate of the extent of potential exposure. (health.mil)
Threshold limit values for chemical substances and physical agents and biological exposure indices for 1995-1996. (cdc.gov)
Adjusting exposure limits for long and short exposure periods using a physiological pharmacokinetic model. (cdc.gov)
Human and environmental exposure models. (environmental-expert.com)

We systematically examine the treatment of methane in a representative selection of widely-used models: three regional-scale models and one global-scale model, with a special focus on how this treatment of methane influences the production of ozone. (rifs-potsdam.de)
Due to the relatively long lifetime of ozone in the troposphere, all models must include information about ozone production from methane at the global scale. (rifs-potsdam.de)

Pursuant to section 74 of the Canadian Environmental Protection Act, 1999 (CEPA 1999), the Ministers of the Environment and of Health have conducted a screening assessment on benzene, 1-methyl-2-nitro- (2-nitrotoluene), Chemical Abstracts Service Registry Number 88-72-2. (gc.ca)

In 1994, the U.S. Environmental Protection Agency introduced dosimetry modeling into the methods used to derive an inhalation reference concentration ( RfC). (cdc.gov)
A framework was proposed that allowed for a hierarchy of dosimetry model structures, from optimal to rudimentary, and a category scheme that provided for limiting model structures based on physicochemical and toxicokinetic prop- erties. (cdc.gov)

We examine 18 dry deposition schemes from regional and global chemical transport models as well as standalone models used for impact assessments or process understanding. (nasa.gov)

FOZAN is a chemiluminescence ozone sonde operating on the chemical reaction between O3 in the airflow and a dye. (europa.eu)
The interquartile range across models in multiyear mean ozone deposition velocities ranges from a factor of 1.2 to 1.9 annually across sites and tends to be highest during winter compared with summer. (nasa.gov)

Conceptual models e.g., could be used to describe physical or chemical processes in the atmosphere be it in lectures or for scientific discussions of processes. (hereon.de)

Therefore, these high-quality machine learning models only provide site-available predictions and cannot solely be used as the operational forecast. (copernicus.org)

A categorization scheme of gases was developed and em- bedded in a framework for choosing model structure as well as different default DAFs based on the fundamental knowledge that absorption rate was determined by water solubility and reactivity, with reactivity defined as the propensity to dissociate, oxidize, or metabolize. (cdc.gov)
The category scheme (Table 1) allowed special cases to be isolated from a generalized model structure of mass transport (Figure 1) based on an eval- uation of its physicochemical and toxicological properties. (cdc.gov)

Extensive efforts over decades have focused on quantifying chemical transport in subsurface geological formations, from microfluidic laboratory cells to aquifer field scales. (copernicus.org)

The mixing of chemical elements in the radiative envelope of stars with a convective core is able to replenish the core with extra fuel. (nature.com)

You can use a model to reproduce and understand experimental findings whereas at the same time experimental results are used to refine models. (hereon.de)
This results in significantly reduced vertical transport in the CTM, due to transient organized vertical motions in the GCM (resolved convection) being averaged out. (harvard.edu)

The complexity of a model is determined by several factors. (hereon.de)

We were able to model the events at Al Muthanna, Muhammidiyat, and Bunker 73 largely because we had test data from the 1960s indicating how chemical warfare agents react and release when structures in which they were stored were bombed or detonated. (health.mil)
Currently we are working with development of methods to determine structures of fibrillar proteins by a combination of structure modeling and X-ray fiber diffraction interference. (lu.se)
Previous work in this area has been on modeling the assembly structure of the type III secretion system and prediction of the high-resolution structures of homo-oligomeric proteins using limited experimental data from Nuclear Magnetic Resonance (NMR) in order to speed up the process of structure determination. (lu.se)
We have developed a method for solving structures of homomeric coiled-coils with X-ray crystallography using denovo models, phasing and automatic model building. (lu.se)
This macromolecular assembly comprises more than 20 conserved proteins that form a series of ring-like structures and a needle-shaped protrusion, which allows the transport of proteins into a host cell. (lu.se)
In addition to low-resolution models of the intact T3SS core from cryo-electron microscopy, several high-resolution structures of monomeric T3SS components have been determined. (lu.se)

The experimental techniques that I employ for studying transport include MRI, Pulsed-field Gradient Spin-Echo NMR and deuterium NMR. (nottingham.ac.uk)
Our goal is to use high-resolution structural modeling techniques guided by constraints taken from lower resolution experimental data to generate structural models of important biological protein assemblies for which high resolution structural determination is unfeasible. (lu.se)
Other sources of experimental information include X-ray diffraction, biotinylation, sequence mutation and deletion, solution binding and chemical cross-linking data. (lu.se)

Anatomy25

Organisms13

Diseases2

Chemicals and Drugs117

Analytical, Diagnostic and Therapeutic Techniques and Equipment29

Phenomena and Processes56

Disciplines and Occupations4

Anthropology, Education, Sociology and Social Phenomena2

Technology, Industry, Agriculture3

Information Science5

Health Care4

Meteorological6

Concentrations11

Observations5

Emissions8

Pollutants4

Aerosol4

20231

Datasets1

Simulate5

Contaminant4

Methodologies1

Evaluation4

Emission2

Eulerian3

Geoscientific Model Development1

Porous8

Reactions5

Quantify1

Surface1

Outcomes3

Climate2

Estimates2

Empirical3

Simulation8

Numerical2

Fluxes4

Phenomena3

Aerosols2

Fundamentals1

Grid1

Computational3

Composition3

Equations1

Oxidation3

Spatial2

Measurements3

Observational1

Conceptual model1

Mathematical models2

Driven1

Statistical1

Pathways2

Chemistry2

Tissue4

Tracers1

Exposure4

Methane2

Assessment1

Dosimetry2

Global1

Ozone2

Physical or chemic1

Quality1

Scheme2

Laboratory1

Radiative1

Results2

Complexity1

Structures6

Experimental3