Modeling aspects models chemical. Medical search. Frequent questions

In environmental risk assessment, the fish bioconcentration factor (BCF) has been established as an assessment criterion for estimating the bioaccumulation potential of chemicals. (ufz.de)

As the computations in mathematical groundwater models are based on groundwater flow equations, which are differential equations that can often be solved only by approximate methods using a numerical analysis, these models are also called mathematical, numerical, or computational groundwater models. (wikipedia.org)
The mathematical or the numerical models are usually based on the real physics the groundwater flow follows. (wikipedia.org)
Flows through the unsaturated zone that couple surface water to soil moisture and groundwater can be upward or downward, depending upon the gradient of hydraulic head in the soil, can be modeled using the numerical solution of Richards' equation partial differential equation, or the ordinary differential equation Finite Water-Content method as validated for modeling groundwater and vadose zone interactions. (wikipedia.org)
However, it is complex technique, requiring data post-treatment by applying fitting models in order to extract numerical values of different parameters, which allow comparison and correlation between different samples. (psi.ch)
The BAC column behaves like a reactor that operates dynamically, and this dynamic behavior will be studied and quantified by numerical modeling. (academictransfer.com)
In the present study, design of intelligent numerical computing through backpropagated neural networks (BNNs) is presented for numerical treatment of the fluid mechanics problems governing the dynamics of magnetohydrodynamic fluidic model (MHD-NFM) past a stretching surface embedded in porous medium along with imposed heat source/sink and variable viscosity. (bvsalud.org)
METHODS: For the solution of the generated differential model, a numerical technique BVP-4C is applied. (bvsalud.org)

and transport and diffusion models simulating the contaminant transport based on the flow and turbulence fields generated by the regional model. (health.mil)

Engineering principles for environmental preservation and management, pollution control, life-cycle assessment, interactions in the macro and micro-environments, global and ecological systems, social-economic factors in environmental systems, predictive models for the current and future environment, environmental engineering as the driver of economic systems. (up.ac.za)
Complementing these observational aspects are numerous modeling activities, including observation-based model assessment, model development, and regional process studies, among others. (copernicus.org)
Modelling tools have been demonstrated to be an economical alternative to measurement data for the assessment of chemical fate and exposure. (lancs.ac.uk)
In this thesis, the application of modelling tools in environmental fate and exposure assessment of organic pollutants has been explored in China. (lancs.ac.uk)
The Large uncertainty in the prediction of human body burdens suggests that the choice of model system could be relevant for exposure assessment and that the model should be tailored to the system of interest. (lancs.ac.uk)
The prediction of BCFs using suitable models is becoming more and more accepted as an alternative higher tier BCF assessment in replacement to animal testing. (ufz.de)
6. Risk Assessment and Chemical and Radiation Hormesis: A Short Commentary and Bibliographic Review (Jose J. Amaral Mendes and Eric Pluygers). (who.int)
13.4 Dose-response models in risk assessment. (who.int)
Workplace exposure assessment of BNNT from two manufacturing facilities measured boron concentrations in personal breathing zones from non-detectable to 0.95g/m3 and TEM structure counts of 0.0123 0.0094 structures/cm3, concentrations well below what was found with other engineered high aspect ratio nanomaterials like carbon nanotubes and nanofibers. (cdc.gov)

The second aspect was to explore the possibility of extending existing bioaccumulation models to a wider range of organic pollutants by incorporation of newly developed poly-parameter linear free energy relationships (pp-LFERs) for individual biological phases in Paper II. (lancs.ac.uk)
Consequently, human activities can be associated with several point and non-point sources of chemical pollutants and toxicants, draining into the oceans and coastal waterways daily, as well as 2.8 billion tons of industrial waste being released into the oceans annually by the US alone. (nih.gov)

Machine learning for yield prediction for chemical reactions using in situ sensors JOURNAL OF MOLECULAR GRAPHICS & MODELLING. (nottingham.ac.uk)
An overview is given of the nature of, and methods for, classification of chemical reactions. (researchgate.net)
The course covers theoretical models for the structure and reactions of atomic nuclear, as well as experiments in nuclear physics and their scientific applications. (lu.se)
You have a strong interest in theoretical modelling of mass transport, adsorption, and chemical reactions by methods from the field of chemical reactor design (not molecular dynamics, density functional theory, computational fluid dynamics, etc. (academictransfer.com)

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)
1997. TLVs and BEIs: Threshold limit values for chemical substances and physical agents biological exposure indices. (cdc.gov)
An extensive array of chemicals are used in industry and commerce, many produced in large volumes, but their fate in the environment and corresponding exposure to organisms (including humans) has only been measured for a limited number of substances. (lancs.ac.uk)
The first aspect of this research was the adaptability of Western dietary exposure models to the Chinese population. (lancs.ac.uk)
In Paper I, three established Western-based exposure models were used for China using specific Chinese dietary scenarios and modified human characteristics to explore their potential adaptability to be used for the Chinese population. (lancs.ac.uk)
The studies described in Paper III and Paper IV took polychlorinated biphenyls (PCBs) as a case study, to comprehensively evaluate and demonstrate the ability of a global dynamic fate model （BETR-Global） linked to a bioaccumulation model (ACC-HUMAN) in the reconstruction of historical trends and predicting future of emission trends and exposure profiles for the Chinese population. (lancs.ac.uk)
and development of statistical and bioinformatic tools to link developed oceanographic models with less well developed human health exposure and disease models). (nih.gov)
7. Modeling Exposure and Target Organ Concentrations (Karen H. Watanabe). (who.int)
9. A Unified Modeling Approach: From Exposure to Disease Endpoints (Chao W. Chen). (who.int)

Specific topics include conservation equations for mass and energy, process flow diagrams, material and energy balances, chemical reaction fundamentals, and applications of the First Law of Thermodynamics. (queensu.ca)

After a quick raise of a pletora of computational approaches for chemical problems in the 1960s - 1970s, the field mainly settled down on machine learning approaches in the late 1990s. (dagstuhl.de)
This session aims at bringing together researchers using observational and/or modeling approaches (at various scales) to improve our understanding of polar tropospheric clouds, precipitation, and related mechanisms and impacts. (copernicus.org)
10.4 Review of modeling approaches. (who.int)
The importance of understanding the potential pathological implications of this high aspect ratio nanomaterial is increasing as new approaches to synthesize and purify in large scale are being developed. (cdc.gov)

We would like to emphasize collaborative observational and modeling activities, such as the Year of Polar Prediction (YOPP), Polar-CORDEX, the (AC)3 project on Arctic Amplification, specific measurement campaigns in the Arctic and Southern Ocean/Antarctica and encourage related contributions. (copernicus.org)

For this purpose, two chemistry education undergraduate students at a Brazilian public university carried out an investigative activity, involving metavisual steps, to revise explanatory models at the submicro level. (rsc.org)
Moments of reflection, monitoring and self-regulation should be provided for students to revise aspects linked to representational levels, which in turn makes it possible for them to understand the chemistry content. (rsc.org)
Another aspect of Hirst's research focuses on the study of protein-ligand interactions, using techniques including QSAR, machine learning, neural networks, docking, molecular dynamics (MD) simulations and quantum chemistry. (nottingham.ac.uk)
This is a puzzling state of affairs as chemistry, and in particular the emerging field of systems chemistry, has to offer a wide range of non-trivial computational problems besides those arising in the well-established areas of quantum chemistry, molecular dynamics, or physical chemistry, for which physics-style models and numeric mathematics have proved the methods of choice. (dagstuhl.de)
In contrast to most other methods currently used for modeling chemistry, the atomic explicitness of graph-grammar based models allow for direct wet-lab experimental design and verification. (dagstuhl.de)
This dissertation explores aspects of the chemistry and evolution of a small class of enzymes catalysing geometrical and structural rearrangements between isomers, the isomerases (EC 5). (researchgate.net)
Chemical Engineering and Engineering Chemistry students may be required to pay ancillary fees for course related learning materials, safety equipment and field trips. (queensu.ca)
We are looking for a student having an MSc degree in chemical engineering, or a related education that combines aspects of chemistry and physics. (academictransfer.com)
The Division of Surface Chemistry of the Swedish Chemical Society. (lu.se)

Consequently, computational modeling, specifically multiscale modeling has emerged as a powerful tool for investigating the underlying mechanisms of thrombus growth under flow [ 2 - 15 ]. (frontiersin.org)

While additional information is required to assess the potential health hazards of EMPs, dosimetry models are currently available to estimate the initially deposited internal dose, which is an essential step in linking airborne exposures to potential health risks. (cdc.gov)
Based on dosimetry model simulations, the inhalability and internal dose of EMPs were found to be greater than that of spherical particles having the same mass or volume. (cdc.gov)
Relating in vitro to kn viva exposures with physiologically-based tissue dosimetry and tissue response models. (cdc.gov)

Therefore, we have updated the EIS model to enable studying more complex metallic lithium impedance spectra and taking into consideration both the lithium ion migration and the charge-transfer processes that occur at the Li interface, but still allowing to use standard software, coming with commercial potentiostats, instead of using much more complex transmission-line model, which requires dedicated scripts. (psi.ch)
Application of conservation laws to calculation of flow rates, chemical composition, and heat requirements of non-reactive and reactive systems typical of processes involving lignocellulosic biomass. (washington.edu)
Finally, key links between the atmosphere and the sea ice, snow, and ocean through a variety of physical, chemical, and biological processes are discussed. (copernicus.org)
The projects provide a practical introduction to processes that occur in chemical engineering operations. (queensu.ca)
Introduction to the fundamentals and principles of chemical engineering, with applications to chemical and biochemical processes, via an analysis of processing units including distillation, crystallization and combustion. (queensu.ca)
To understand BAC filters better, we will set up a detailed description of the physical-chemical transport processes and the relevant biology and combine that into a complete mathematical framework. (academictransfer.com)

AChE inhibitors were described by a set of 12 fingerprint descriptors and predictive models were constructed from 100 different data splits using random forest. (peerj.com)

To overcome this limitation, we developed a fully three-dimensional multiscale model for platelet aggregation under flow and validated model predictions against experimental observations in prior work [ 9 ]. (frontiersin.org)
This model falls under the class of hybrid multiscale models where blood velocity and platelet agonists are treated as continuum fields while platelets are resolved explicitly [ 2 - 10 ]. (frontiersin.org)

Groundwater models may be used to predict the effects of hydrological changes (like groundwater pumping or irrigation developments) on the behavior of the aquifer and are often named groundwater simulation models. (wikipedia.org)
Chapter 2 reviews the historical development of hydrological modeling. (ascelibrary.org)
The chapter also discusses guiding principles and criteria for choosing a model, and challenges in hydrological modeling. (ascelibrary.org)

Webinar on "New insights into the intrinsic permeability of organic chemicals through biological membranes" will take place via Zoom on 19.04.2023 4 pm CEST. (ufz.de)

We devote significant attention on apparent surface charge densities and interactions between large flat model surfaces immersed in either a 2:1 salt or a 3:1 salt. (lu.se)
Inspired by this, the current attempt develops a nonlinear mathematical model (Williamson fluid) towards moving surface heated convectively. (bvsalud.org)

Papers including new methodologies specific to polar regions are encouraged, such as (i) improving polar cloud/precipitation parameterizations in atmospheric models, moisture transport events detection and attribution methods specifically in the high latitudes, and (ii) advancing observations of polar clouds and precipitation. (copernicus.org)

For a variety of reasons chemical respiratory allergy tive 67/548/EEC on Classification and Labeling of Dan- remains an important toxicological and occupational gerous Substances (N.B. the EU criteria for classification health issue (Kimber and Wilks, 1995). (cdc.gov)

The original system model MHD-NFM in terms of PDEs is converted to nonlinear ODEs by introducing the similarity transformations. (bvsalud.org)

Estimation of gas-phase hydroxyl radical rate constants for organic chemicals. (cdc.gov)
Tetrahydrofuran (THF) is a widely used chemical compound, in particular as a solvent in organic and inorganic synthesis. (researchgate.net)

Describe the different types of models that are used for the simulation and design of fixed bed reactors and their assumptions. (uclouvain.be)
Apply the basic one-dimensional model for the simulation and design of fixed bed reactors. (uclouvain.be)
Derive the one-dimensional model for fixed bed reactors that allows accounting for interfacial gradients and to apply this model for reactor simulation and design. (uclouvain.be)
Although a nanosecond simulation is often enough (surprisingly) for many physical and chemical properties, it is usually insufficient for predicting microstructural evolution and thermo-mechanical properties of materials. (aps.org)

Specified Elective Courses" must exclusively be selected from amongst a list of courses within the categories of either "Pollution Control and Modeling", or "Molecular Ecology and Microbial Biotechnology", or "Socio-Ecological Sustainability" concentration areas. (boun.edu.tr)
You will also consider and manage wider aspects such as the (a) social, (b) economic, (c) political, (d) legislative, (e) environmental, (f) cultural, (g) ethical (h) and sustainability issues related to the subject matter of the project. (southampton.ac.uk)

Describe the different aspects of mass, heat and momentum balances. (uclouvain.be)

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)
5. Biological and Mathematical Aspects of Multistage Carcinogenesis (E. Georg Luebeck and Suresh H. Moolgavkar). (who.int)

Atomistic and first-principles modeling, which describe the world as assembly of atoms and electrons, provide the most fundamental answer to problems of materials. (aps.org)
10.3 Principles of modeling of lung cancer screening. (who.int)

An important aspect in the prediction models is consideration of biotransformation. (ufz.de)
For doing so, the in vitro biotransformation data inserted by the user are automatically extrapolated to the corresponding in vivo rates (in vitro-in vivo extrapolation) and then used in the BCF prediction model. (ufz.de)
Krause, S. and K.-U. Goss, 2020, Comparison of a simple and a complex model for BCF prediction using in vitro biotransformation data. (ufz.de)

The objective of this work was to evaluate the implementation of a metavisual strategy for students to revise and self-regulate concepts arising in a study of a chemical reaction between ions. (rsc.org)
Students were given a problem, namely a reaction between ions drawn from a real-life situation and were provided with clay to construct an explanatory model of the submicro level for the initial and final stages of the reaction. (rsc.org)
The students were asked to compare their clay model with an example of a scientifically correct figure of the submicro level of the reaction generated by the researchers. (rsc.org)
Several of these models make use of a continuum approach where platelets, platelet agonists, and coagulation factors are treated as chemical species that obey the convection-diffusion-reaction equation for species transport [ 11 - 15 ]. (frontiersin.org)
The project involves creating models for mass transport, adsorption, and reaction, and solving simplified models using spreadsheet software such as Microsoft Excel. (academictransfer.com)

Derive the model equations for the case of a fixed bed reactor with heat exchange between the feed and effluent or between the feed and reacting gas. (uclouvain.be)

Students may elect to pursue the Chemical Process Engineering Sub-plan (CHE1) or the Bioengineering - Biochemical, Biomedical, Bioenvironmental Sub-plan (CHE2). (queensu.ca)

There are currently no validated or widely accepted methods/models for the identification and characterization of chemicals that have the potential to induce allergic sensitization of the respiratory tract. (cdc.gov)

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)

Based on this parameter estimation, we construct a Markov-chain epidemic model to demonstrate the potential impact of delays in implementing outbreak control measures and increasing numbers of index cases on the incidence of cases in simulated outbreaks. (cdc.gov)

The more complex model considers blood flow limitation as well as the potential first-pass effect in the gills following chemical uptake via ventilation and the sequential order of GIT and liver biotransformation while the simple model neglects these specific features (for more details please refer to our corresponding paper). (ufz.de)

Explain the use of a one-dimensional model with axial mixing and derive the model equations. (uclouvain.be)

Part of this class will concentrate on the social aspects of biomass to biofuels conversion. (washington.edu)

As the material increased in purity, there are more high-aspect-ratio particulates and a corresponding distinct increase in cytotoxicity, nuclear factor-B transcription, and inflammasome activation. (cdc.gov)

Groundwater models are computer models of groundwater flow systems, and are used by hydrologists and hydrogeologists. (wikipedia.org)
What is interesting is that there is a great deal of commonality between concepts and models presented, and those that hydrologists routinely use. (ascelibrary.org)

These authors list the words or phrases which have been used to describe the three levels of representation in the chemical education literature. (rsc.org)

On the basis of the [email protected]2 matrix model, with explicit nitrogen molecules, the anharmonic infrared spectra are generated from the Fourier transformation of the dipole moment autocorrelation function. (researchgate.net)

In addition, there is a possibility that aspects of this construct can be taught to students. (rsc.org)
Furthermore, Y-scrambling was applied to evaluate the possibility of chance correlation of the predictive model. (peerj.com)

The findings reveal evidence of self-regulation of mental models at the submicro level, from the interaction of prior knowledge, chemical diagrams and discussions and reflections by the pair of students. (rsc.org)

The applicability of a groundwater model to a real situation depends on the accuracy of the input data and the parameters. (wikipedia.org)
Data were captured via photographs of the clay models and students' verbal discussions as they proceeded through the activity. (rsc.org)
Missing data in the macroscale model are estimated on the fly using a reliable microscale model. (aps.org)
The results of the model are compared with existing data from literature and the Wetsus laboratory. (academictransfer.com)
Besides in vitro biotransformation data, information on the modelled fish and information on the partition properties of the chemical of interest are required as input. (ufz.de)
8.3 Model-based evaluation of liver focal lesion data. (who.int)

The parameters usually concern the geometry of and distances in the domain to be modelled and those physical properties of the aquifer that are more or less constant with time but that may be variable in space. (wikipedia.org)

The material presented in the chapter can be divided into (1) linear systems approach to rainfall-runoff modeling as well as flood routing, (2) hydraulic approach, (3) conceptual watershed models, and (4) physically based models. (ascelibrary.org)
The last part of the chapter is on general purpose water quality models. (ascelibrary.org)

This book is quite different from what most books on hydrologic and environmental systems are in that it focuses on modeling techniques, as the title rightly suggests. (ascelibrary.org)
Chemicals companies around the world are facing volatile inflationary pressures, while striving to incorporate environmental, sustainable, and corporate governance initiatives. (oliverwyman.com)

26 chemicals (16 of which are proteins) are classified as to cause allergic sensitization of the respiratory tract. (cdc.gov)

Starting with Malthusian growth model, it goes on to discussing the Verhulst growth model, predator-prey model, Gompertz curve, logistic map, cell growth, bacterial growth, and radioactive decay and carbon dating. (ascelibrary.org)
Here, we discuss the latest developments using zebrafish models of bacterial and fungal infection. (frontiersin.org)

Qualitatively explain the different types of models explicitly accounting for mixing. (uclouvain.be)

Therefore, many fate and bioaccumulation models have been developed in Western countries while progress on the development of tools and legislation are relatively far behind in China. (lancs.ac.uk)

Many groundwater models are made for the purpose of assessing the effects hydraulic engineering measures. (wikipedia.org)
Boundary conditions can be related to levels of the water table, artesian pressures, and hydraulic head along the boundaries of the model on the one hand (the head conditions), or to groundwater inflows and outflows along the boundaries of the model on the other hand (the flow conditions). (wikipedia.org)

We are partners at a time of transformation, providing the in-depth expertise needed to not only identify but also understand upcoming challenges and their implications for the chemicals industry. (oliverwyman.com)

Such groundwater models try to predict the fate and movement of the chemical in natural, urban or hypothetical scenario. (wikipedia.org)

Identification of source materials, physical and chemical properties of waste. (up.ac.za)

We also review novel aspects of macrophage biology revealed by zebrafish, which can potentiate development of new therapeutic strategies for humans. (frontiersin.org)

Groundwater models are used in various water management plans for urban areas. (wikipedia.org)
The model may have chemical components like water salinity, soil salinity and other quality indicators of water and soil, for which inputs may also be needed. (wikipedia.org)
This may also include quality aspects of the water like salinity. (wikipedia.org)
The focus is primarily on chemical aspects, although water quality has a much broader connotation. (ascelibrary.org)
Odor as an aid to chemical safety: Odor thresholds compared with threshold limit values and volatilities for 214 industrial chemicals in air and water dilution. (cdc.gov)
If we understand these aspects, we can further optimize the technology and operate it better, to clean water to an even higher degree at lower costs. (academictransfer.com)
This project offers a great opportunity to develop your modeling and problem-solving skills in the field of water treatment. (academictransfer.com)

Linked to this, Blank (2000) proposed a revised learning cycle model, the metacognitive learning cycle, which emphasized that metacognitive moments should be provided via formal opportunities in the classroom. (rsc.org)

Anatomy12

Organisms11

Diseases5

Chemicals and Drugs88

Analytical, Diagnostic and Therapeutic Techniques and Equipment48

Psychiatry and Psychology3

Phenomena and Processes57

Disciplines and Occupations15

Anthropology, Education, Sociology and Social Phenomena3

Technology, Industry, Agriculture8

Information Science12

Health Care19

Bioaccumulation potential1

Numerical7

Contaminant1

Assessment9

Pollutants2

Reactions4

Exposure9

Material and energy balances1

Approaches4

Measurement1

Chemistry9

Computational1

Dosimetry3

Processes6

Predictive models1

Multiscale2

Hydrological3

20231

Surface2

Atmospheric models1

Substances1

Transformations1

Organic2

Simulation4

Sustainability2

Balances1

Mathematical2

Principles2

Prediction3

Reaction5

Reactor1

Biochemical1

Methods1

1960s1

Parameter estimation1

Potential1

Equations1

Biofuels1

Particulates1

Hydrologists2

Describe1

Molecules1

Possibility2

Diagrams1

Data6

Parameters1

Chapter2

Environmental2

Proteins1

Bacterial2

Explicitly1

Tools1

Hydraulic2

Implications1

Fate1

Properties1

Biology1

Water7

20001