• The aim of this work was to evaluate chemical and physical transformations to AgNM-containing textiles during modeled human exposure to synthetic sweat or simulated wound fluid. (nist.gov)
  • XRD and XPS- based findings suggested a comparable set of chemical states with wound fluid exposure with the addition of an adsorbed protein layer. (nist.gov)
  • To evaluate the impact on antimicrobial efficacy, zone of inhibition (ZOI) testing was conducted which found that the wound dressing caused equal or larger ZOIs after modeled human exposure compared to the pristine wound dressing. (nist.gov)
  • To evaluate the exposure and risk of FCCs, it is necessary to estimate their migration potential, that is, the ratio of the concentration of a chemical in food to its concentration in the packaging material or equipment. (foodingredientsfirst.com)
  • Meanwhile, Zero Waste Europe recently urged policymakers to take advantage of fresh delays to EU regulation to address growing concerns around human exposure to hazardous chemicals through food packaging. (foodingredientsfirst.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)
  • The New Chemicals Program will implement this change by making minimal changes to the coding in the New Chemical Review application to remove the thresholds and will update standard operating procedures and training materials for exposure and human health risk assessors. (lawbc.com)
  • We have therefore developed models that predict chemical exposure based on past measurement data. (tno.nl)
  • Knowing which chemicals are present in air, water, soil, dust, food, and elsewhere is an important step in determining to which chemicals people are exposed and how exposure might occur. (cdc.gov)
  • Efforts to measure exposure to chemicals by directly studying substances in human blood, urine, or other specimens are underway at CDC and other agencies. (cdc.gov)
  • All Atomic Weapons Employer employees who worked at the Blockson Chemical Company in Joliet, Illinois from March 1, 1951 to June 30, 1960, for a number of work days aggregating at least 250 work days, occurring either solely under this employment, or in combination with work days within the parameters established for one or more other classes of employees included in the Special Exposure Cohort. (cdc.gov)
  • Title : Exposure to the anti-microbial chemical triclosan disrupts keratinocyte function and skin integrity in a model of reconstructed human epidermis Personal Author(s) : Baur, Rachel;Kashon, Michael;Lukomska, Ewa;Weatherly, Lisa M.;Shane, Hillary L.;Anderson, Stacey E. (cdc.gov)
  • In the present work, a computational modeling strategy has been developed that accounts for the key physical phenomena responsible for densification of porous preforms using microwave heating. (ornl.gov)
  • The project sought to determine if computational protocols could be developed, using commercially available software, to accurately predict a) the molecular geometries of chemical warfare agents and b) the receptor molecules with the highest affinities for the agents. (brighton.ac.uk)
  • Experimental and computational study of the inclusion complexes of β-cyclodextrin with the chemical warfare agent soman (GD) and commonly used simulants, M. R. Sambrook, J. C. Vincent, J. A. Ede, I. A. Gass and Peter J. Cragg, M/S in preparation. (brighton.ac.uk)
  • The Chemical Theory, Models, and Computational Methods (CTMC) Program supports the discovery and development of theoretical and computational methods or models to address a range of chemical challenges, with emphasis on emerging areas of chemical research. (nsf.gov)
  • Areas of interest include, but are not limited to, electronic structure, quantum reaction dynamics, theoretical/computational spectroscopy, statistical mechanics, molecular dynamics and simulation, and modeling techniques for isolated molecular systems and systems in complex environments. (nsf.gov)
  • Despite the diverse application areas, the goal of the program is to support the development of new theoretical and computational methodologies that are broadly applicable to a range of challenging chemical problems. (nsf.gov)
  • The CTMC Program is interested in fundamental areas of chemical research that are difficult or impossible to address using current synthetic, experimental, and/or computational methodologies. (nsf.gov)
  • proposals on quantum information science (QIS) that either focus on applying QIS concepts to theoretical and computational chemistry or on developing quantum algorithms for chemical systems. (nsf.gov)
  • Examples of sustainable chemistry appropriate for the Chemical Theory Models and Computational methods (CTMC) Program include, but are not limited to: the development of methods to address sustainability-relevant topics such as the design of more benign alternative processes, and developing chemistry with reduced energy requirements and with a more limited greenhouse gas footprint. (nsf.gov)
  • These procedures heavily rely on the use of efficient computational techniques for model identification based on the use of optimal design of experiments techniques. (eagleharborbooks.com)
  • Its versatility is evident as it adapts to a spectrum of models - from density function theory to computational fluid dynamics - and scales, spanning from laboratory to extensive industrial environments. (uh.edu)
  • In this study, a shear-dependent continuum model for platelet activation, adhesion and aggregation is validated using computational fluid dynamics (CFD). (asme.org)
  • This model utilizes a novel approach that specifically targets the biological and chemical properties associated with known carcinogens," said Gaurav Ahuja, Assistant Professor, Department of Computational Biology, Indraprastha Institute of Information Technology (IIIT), Delhi. (indiatimes.com)
  • 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)
  • While related general circulation models (GCMs) focus on simulating overall atmospheric dynamics (e.g. fluid and heat flows), a CTM instead focuses on the stocks and flows of one or more chemical species. (wikipedia.org)
  • Their model's new results for electrons colliding with H 2 agree with accurate experiments and will have direct implications in the modeling of fusion plasmas, design of aerospace materials (for atmospheric entry), astrophysics, and atmospheric modeling. (labmanager.com)
  • This modeling exercise has been a joint effort, with significant coordination among multiple agencies and hundreds of people, with expertise ranging from upper atmospheric conditions to soil characteristics. (health.mil)
  • 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)
  • The objectives of this project were to (1) improve methods for the prediction of physical properties relevant for assessing environmental fate and transport, and (2) develop predictive models to assess the bioaccumulation of the chemical in relevant environmental receptors (plants and soil invertebrates). (serdp-estcp.org)
  • Chemical Looping processes involve cycling a solid between two reactors to selectively transport a chemical such as oxygen (for combustion) or carbon dioxide (for CO2 removal). (confex.com)
  • MOZART was designed to simulate tropospheric chemical and transport processes, but has been extended (MOZART3) into the stratosphere and mesosphere. (wikipedia.org)
  • These models have made significant impacts in improving strategic, tactical, and operational supply chain processes. (springer.com)
  • The successful Chemical Looping Processes session is being held for the seventh year in a row to addresses advances in development of chemical looping processes such as combustion, reforming, systems for CO2 capture, hydrogen production, and other novel chemical looping technologies. (confex.com)
  • Mechanistic mathematical models are an essential tool for the study, simulation and optimisation of processes in chemical engineering, allowing for a quantitative description of observed phenomena through the definition of laws and correlations. (eagleharborbooks.com)
  • Traditionally, the dynamic modeling of chemical processes has relied on first-principles models grounded in fundamental physics and chemistry laws. (uh.edu)
  • However, the ever-evolving and nonlinear nature of chemical processes frequently calls for models with time-varying parameters. (uh.edu)
  • We will present applications of this hybrid modeling and control architecture, showcasing its utility from labs to industrial processes, made possible through partnerships with leading chemical process enterprises. (uh.edu)
  • Weber, B. W. Cantera: An Object-oriented Software Toolkit for Chemical Kinetics, Thermodynamics, and Transport Processes. (crossref.org)
  • This information can then be used to improve how plants are run and to make better-informed and speedier decisions across the full range of a chemical company's business processes. (mckinsey.com)
  • Drawing on extensive work with leading chemical companies, proprietary research, and our digital know-how, we describe in this article the interplay of digital with the chemical-industry value chain and its subsectors, how digital could affect the industry's business processes, and the steps that industry leaders need to take. (mckinsey.com)
  • Chemical companies' business processes, including manufacturing, marketing and sales, and R&D, present opportunities for performance improvement based on data capture and interpretation. (mckinsey.com)
  • Photoinduced processes in complex systems can be modeled as a sequence of events initiated by the absorption of a photon. (lu.se)
  • make these clusters ideal as model systems to understand how the primary sequence of processes is affected by surrounding atoms or molecules. (lu.se)
  • In vitro models may be useful for the rapid toxicological screening of large numbers of chemicals for their potential to produce toxicity. (nih.gov)
  • ALTERNATIVE?s proof-of-concept validation will be performed on well-known mixtures of pollutants, affecting different environmental compartments, and selected via epidemiological, toxicological and modelling expertise. (europa.eu)
  • Although all Member States face the problem of assessing potential risks from chemicals in food, only a few national or regional scientific institutions can assess the relevant toxicological and related data. (who.int)
  • GB (sarin) was used to benchmark the method through gas phase simulations with progressively more sophisticated models. (brighton.ac.uk)
  • This study also presents vertical profiles of the mass of lightning NOx after convection based on 3-D cloud-scale model simulations. (nasa.gov)
  • The results of this work differ from profiles calculated from 2-D cloud-scale model simulations with a simpler lightning parameterization that were peaked near the surface and in the upper troposphere (referred to as a ''C-shaped'' profile). (nasa.gov)
  • 19 Jul 2023 --- Researchers have developed a method to estimate the amount of chemicals that can leach from food packaging and processing equipment into food. (foodingredientsfirst.com)
  • TCAM): a mathematical modelling method (computer simulation) designed to model certain aspects of the Earth's atmosphere. (wikipedia.org)
  • These models utilize mathematical programming, discrete-event simulation, and Web-enabling technologies. (springer.com)
  • A simulation study of logistics activities in a chemical plant. (springer.com)
  • First, I use the non-reactive simulation and it is converged, then I enable the species transport model to simulate the reactive flow, however it iterates only once and is converged. (cfd-online.com)
  • Using a molecular dynamics simulation, we show that even under a weak external electric field that is lower than the membrane breakdown intensity, a cationic nanoparticle will directly translocate across a model cell membrane without membrane disruption. (rsc.org)
  • Fabrication of silicon carbide fibres reinforced silicon carbide composite (SiC/SiC) by chemical vapour infiltration (CVI) process was investigated in this research with the help of both simulation and experimental set-up. (witpress.com)
  • The novel platform will enable regulators and industry to identify, quantify and prevent cardiotoxic co-exposures to industrial chemicals and pharmaceuticals in a cost-effective way. (europa.eu)
  • CDC also requires these laboratories maintain testing capabilities for exposures to the following high-threat chemical agents: mustard agents, nerve agents, and toxic industrial chemicals. (cdc.gov)
  • Level 2 Laboratories must maintain testing capabilities for exposures to chemical terrorism agents such as cyanide, toxic metals, and toxic industrial chemicals. (cdc.gov)
  • We hypothesize that the disruption of antioxidant defenses is a key mechanism whereby chemical contaminants can potentiate noise -induced hearing loss (NIHL). (cdc.gov)
  • The evaluation of chemicals in food by the committee is a continuing activity, and four meetings (three on food additives and contaminants, and one on residues of veterinary drugs in food) are scheduled for 2006-2007. (who.int)
  • To address issues related to public health and chemical exposures, there is a need to better use the data already being collected, and to further broaden the information that is collected. (cdc.gov)
  • During large-scale national events, state and local LRN-C laboratories assist CDC in testing samples for chemical exposures and serve as front-line conduit for communication among CDC and local health officials, hospitals, and poison control centers. (cdc.gov)
  • Early detection and accurate identification of chemical threat agents are critical for effective treatment and minimizing additional exposures. (cdc.gov)
  • MOZART4 improves MOZART2's chemical mechanisms, photolysis scheme, dry deposition mechanism, biogenic emissions and handling of tropospheric aerosols. (wikipedia.org)
  • Cell cultures derived from nervous system tissue have proven to be powerful tools for elucidating cellular and molecular mechanisms of nervous system development and function, and have been used to understand the mechanism of action of neurotoxic chemicals. (nih.gov)
  • For the quantitative understanding of complex chemical reaction mechanisms, it is, in general, necessary to accurately determine the corresponding free energy surface and to solve the resulting continuous-time reaction rate equations for a continuous state space. (rsc.org)
  • To learn more about disease mechanisms and identify new therapeutic approaches we use the genetic system Caenorhabditis elegans, a nematode worm with powerful and rapid methodologies to model ALS. (neurodegenerationresearch.eu)
  • Using our C. elegans ALS models we have discovered novel mechanisms and FDA approved compounds that alleviate neuronal degeneration caused by mutant human proteins linked to ALS. (neurodegenerationresearch.eu)
  • Song, J. Building Robust Chemical Reaction Mechanisms: Next Generation of Automatic Model Construction Software, Ph.D. Thesis, Massachusetts Institute of Technology, 2004. (crossref.org)
  • Previous studies proposed new modeling approaches for predicting FCC migration. (foodingredientsfirst.com)
  • Another study, published in the Journal of Food Engineering, proposed two approaches for modeling the migration of specific additives and elements from plastic packaging and steel processing equipment. (foodingredientsfirst.com)
  • Journal of Chemical Education 2022 , 99 (5) , 2121-2128. (acs.org)
  • Recently, it has been suggested that in vitro models could be used to screen for chemical effects on critical cellular events of neurodevelopment, including differentiation and neurite growth. (nih.gov)
  • This review examines the use of neuronal cell cultures as an in vitro model of neurite outgrowth. (nih.gov)
  • Examples of the cell culture systems that are commonly used to examine the effects of chemicals on neurite outgrowth are provided, along with a description of the methods used to quantify this neurodevelopmental process in vitro. (nih.gov)
  • La plateforme consistera en un modèle in vitro tridimensionnel qui imite le tissu cardiaque humain, associé à un système de surveillance fiable à haut débit reposant sur des analyses multi-omiques et intégré à un outil d'évaluation des risques par apprentissage automatique. (europa.eu)
  • The platform will consist of a three-dimensional tissue engineering in-vitro model mimicking the human cardiac tissue, coupled with a reliable, high-throughput monitoring system based on multi-omics analyses, and integrated into a Machine Learning (ML) risk assessment tool. (europa.eu)
  • By introducing an in vitro cardiac system and ML models, ALTERNATIVE will provide a platform able to refine, reduce and replace the need for animal testing, providing close-to-real scenario information on toxicity and achieving a significant reduction of the associated direct and indirect costs. (europa.eu)
  • The long-term objective of this project is to broaden the understanding of regenerative abilities of central nervous system (CNS) neurons using an in vitro model that enables simultaneous mechanical and chemical stimulation of axons in a massively parallel fashion. (axa-research.org)
  • The ALTERNATIVE platform will be an innovative tool for complying with the current regulation associated with the assessment of chemical compounds. (europa.eu)
  • The models are intended to be used to assess the environmental impact of new munitions compounds. (serdp-estcp.org)
  • The models were designed to predict the equilibrium steady state concentration of munitions compounds in terrestrial plants and soil invertebrates exposed via the soil. (serdp-estcp.org)
  • This was necessary in order to expand the chemical space to include munitions compounds that are not represented in the extent data bases. (serdp-estcp.org)
  • Bioaccumulation models for plants (grasses) and soil invertebrates (oligochaetes) that were exposed from compounds in soils have been developed as well as a bioconcentration model for fish exposed from compounds in water. (serdp-estcp.org)
  • Our latest work builds an AI model that could recognize the carcinogens (cancer-causing compounds) from the chemical structures. (indiatimes.com)
  • The estimation can be done by conducting experimental tests or using mathematical models. (foodingredientsfirst.com)
  • Experimental tests are costly, time-consuming and require large amounts of samples and chemicals. (foodingredientsfirst.com)
  • They developed two models based on mass transfer equations and experimental data. (foodingredientsfirst.com)
  • Our model can faithfully capture the dynamic trend exhibited by various epigenetic changes upon external stimuli and offers a powerful tool to connect experimental data with mechanistic understanding for revealing the underlying molecular forces driving epigenome dynamics and predicting new phenotypic state. (aiche.org)
  • In response, model building procedures have been proposed for developing, improving and validating mechanistic models in more efficient ways by managing and guiding the information obtained from experimental activities. (eagleharborbooks.com)
  • Phenomenological models, however, only describe the average responses or, where the model is stochastic, it is the average model responses that are fitted to the trial-averaged experimental responses. (eneuro.org)
  • Influence of welding fume metal composition on lung toxicity and tumor formation in experimental animal models. (cdc.gov)
  • The sometimes naive expectation of the least coarse-grained model performing best does not hold true for the experimental pool of proteins used here. (lu.se)
  • Single cell experiments [ 11 ] could provide iterative validation of models with experimental results. (lu.se)
  • It will be a new instrument to evaluate unpredictable toxicity due to synergistic effects of different chemicals, additionally worsened by the human ageing process. (europa.eu)
  • the G-series was additionally modelled as hydrates. (brighton.ac.uk)
  • A popular method for the treatment of aquifers contaminated with chlorinated solvents is chemical oxidation using potassium permanganate (KMnO₄). (ubc.ca)
  • In addition, ALTERNATIVE will modify the tissue model to reproduce the aged myocardial tissue and elucidate the adverse effects of chemicals on older people. (europa.eu)
  • Mathematical models are faster, cheaper and more environmentally friendly. (foodingredientsfirst.com)
  • Mathematical models are faster, cheaper and more environmentally friendly, but need to be accurate and reliable, explain the researchers. (foodingredientsfirst.com)
  • This book guides the reader through statistical tools and methods for building mechanistic mathematical models in chemical engineering using design of experiment techniques. (eagleharborbooks.com)
  • Zammit and the team conducted research into the fundamental chemical reactions of atoms and molecules to better understand the physics and chemistry of materials. (labmanager.com)
  • With the framework of the method set, Zammit and colleagues are now turning their attention to other molecules of astrophysical, medical, and industrial importance, as well as extending the method to model molecular collisions with positrons, protons, and anti-protons. (labmanager.com)
  • Areas of application span the full range of chemical systems from single molecules to mesoscopic aggregates. (nsf.gov)
  • Using the parts provided, build an 11 x17" poster (model) to describe how food is rearranged through chemical reactions into new molecules that support growth and/or release energy in an organism. (exploringnature.org)
  • Develop a model to describe how food is rearranged through chemical reactions forming new molecules that support growth and/or release energy as this matter moves through an organism. (exploringnature.org)
  • Also, they tend to exagerate the relation between bond lengths and atomis sizes: it is a good idea to also use Van der Waals models, at least for some representative molecules. (acs.org)
  • They must want to know the key to resolve the riddle of chemical transformation of the molecules that participated that reaction. (acs.org)
  • I am using the species transport model to simulate a chemical reaction. (cfd-online.com)
  • Detailed monitoring data collected during the field trial were used to evaluate the ability of the MIN3PD model to adequately simulate permanganate-based groundwater remediation. (ubc.ca)
  • A three-dimensional (3-D) cloud-scale chemical transport model that includes a parameterized source of lightning NOx on the basis of observed flash rates has been used to simulate six midlatitude and subtropical thunderstorms observed during four field projects. (nasa.gov)
  • The study was conducted by researchers of the Kaohsiung Medical University and National Health Research Institutes, Kaohsiung, Taiwan and published in the journal Food and Chemical Toxicology. (foodingredientsfirst.com)
  • However, the competing effects of chemical kinetics and gas transport are known to result in non-uniform densification as the outer surfaces of the preform experience faster depositions compared to the core. (ornl.gov)
  • Specifically, a chemical kinetics model has been formulated for Silicon Carbide (SiC) deposition from MTS/H2 precursor. (ornl.gov)
  • Introduction to Environmental Data Analysis and Modeling. (wikipedia.org)
  • Another Nov. 2012 Bloomberg investigation revealed that oil and gas corporations "claimed trade secrets or otherwise failed to identify the chemicals they used about 22 percent of the time," according to its analysis of FracFocus data for 18 states. (counterpunch.org)
  • The method builds upon thermo-chemical data obtained from electronic structure calculations in a condensed-phase model. (rsc.org)
  • The authors used data from these previous studies and molecular descriptors to train and validate their model. (foodingredientsfirst.com)
  • 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)
  • The collective data serves as the foundation to build a mathematical model to investigate the dynamics of epigenome changes in single cell and population. (aiche.org)
  • The European Collaborative Project SOLUTIONS developed models to provide diagnostic and prognostic capacity and fill data gaps for chemicals of emerging concern. (ivl.se)
  • Motivated by these challenges, we have developed hybrid models that integrate system-agnostic first-principles dynamics with system-specific data-driven, time-varying parameters. (uh.edu)
  • Most chemical plants continuously generate an enormous amount of data but discard most of it. (mckinsey.com)
  • The models including NDWI as the input data performed on average slightly better [root mean square error (RMSE) = 1.56] than the models without NDWI (RMSE = 1.67), and they were better in reproducing CH4 flux variability. (lu.se)
  • Constituents of PM 2.5 (sulfate, nitrate, ammonium, organic matter, and black carbon) were obtained from models based on satellite, ground-based monitor, and chemical transport modeling data. (medscape.com)
  • Consequentially, PEC surface water established using these modelled ecotoxicology data are not very reliable. (janusinfo.se)
  • The lowest value of modelled ecotoxicology data of lopinavir could be considered with regard to NOEC of ritonavir. (janusinfo.se)
  • The Abraham polyparameter model was used to estimate the partition coefficients between the phases and water. (serdp-estcp.org)
  • Quantum chemical methods have been developed to estimate the upper case Abraham solute parameters. (serdp-estcp.org)
  • A methodology was developed using quantum chemical computations to estimate Abraham solute parameters for two types of applications: for use with presently existing Abraham models, or for use in building new Abraham models. (serdp-estcp.org)
  • This paves the way to the design of optimal protocols to estimate synaptic parameters, to the quantitative comparison of synaptic models over benchmark datasets, and, most importantly, to the study of repetitive transmission under physiologically relevant patterns of synaptic activation. (eneuro.org)
  • To decipher this information, scientists look at the underlying chemical reaction that took place, which is relatively simple-an electron colliding with H 2 . (labmanager.com)
  • 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)
  • Mark Zammit, of Los Alamos' Physics and Chemistry of Materials group, is part of a team that developed a theoretical model to forecast the fundamental chemical reactions involving molecular hydrogen. (labmanager.com)
  • LOS ALAMOS, N.M., June 28, 2016-A team of researchers from Los Alamos National Laboratory and Curtin University in Australia developed a theoretical model to forecast the fundamental chemical reactions involving molecular hydrogen (H 2 ), which after many decades and attempts by scientists had remained largely unpredicted and unsolved. (labmanager.com)
  • 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)
  • The calibrated model reproduced the transient distribution of aqueous species, and supported a quantitative evaluation of remediation efficiency. (ubc.ca)
  • The investigation supported a quantitative evaluation of the conceptual model of the remediation technology, and capabilities and limitations of the numerical model. (ubc.ca)
  • An important application of our approach is the detection of regions in a reaction network which require further investigation, given the uncertainties introduced by both approximate electronic structure methods and kinetic models. (rsc.org)
  • Relevant chemical engineering case studies are used throughout the book to provide a practical approach to this complex topic. (eagleharborbooks.com)
  • Our model is the first to very accurately calculate the probability of fundamental electron-molecular hydrogen reactions. (labmanager.com)
  • If there are molecular rotatations or molecular viblations, the ball and spoke model says nothing about them. (acs.org)
  • According to EPA, due in part to the automation of modeling, it has become less burdensome to complete these calculations. (lawbc.com)
  • Evaluating the environmental impact of new munitions requires that estimates be made of their physical chemical properties and, more important, the parameters that determine their fate in the environment. (serdp-estcp.org)
  • Development of these models are often costly and time-consuming, whilst the validation and statistical assessment of the model structure, and the precise estimation of model parameters, may require extensive experimentation. (eagleharborbooks.com)
  • These models, primarily formulated through differential equations with constant parameters, enable the calculation of control actions optimizing process operations, taking both process and actuator limitations into account. (uh.edu)
  • This TST-based hybrid model identifies correlations between process parameters and state variables. (uh.edu)
  • Automated inverse modeling was employed to systematically evaluate the quality of the model calibration, and identify optimal values of model input parameters. (ubc.ca)
  • The underlying parameters are then selected via an expectation-maximization algorithm that is exact for a large class of models of synaptic transmission, so as to maximize the likelihood of the observed responses. (eneuro.org)
  • Such screening could facilitate prioritization of resources needed for in vivo toxicity testing towards those chemicals most likely to result in adverse health effects. (nih.gov)
  • The great difference of the steady-state deposition rate exceeding three orders of magnitude was explained in terms of a multiple steady-state surface reaction model of co-deposition of SiC, Si and C. Corresponding gas-phase compositions, over the temperature region covered in the present experiments, were calculated with a detailed pyrolysis reaction mechanism of MTS. (witpress.com)
  • The PAC and NSC staff directed CIA to have one of its contractors model multiple chemical warfare agent releases. (health.mil)
  • 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)
  • Chemical reactions are the basis of life so predicting what happens during these reactions is of great importance to science and has major implications in innovation, industry and medicine," said Mark Zammit, a post-doctorate fellow in the Physics and Chemistry of Materials group at Los Alamos National Laboratory. (labmanager.com)
  • Starting from the first principles of quantum mechanics and utilizing supercomputers, Zammit and the team's program calculate the probability of chemical reactions, such as the ionization (removal of an electron), or electron excitation of a molecule. (labmanager.com)
  • Assessment Boundary: Assessment does not include details of the chemical reactions for photosynthesis or respiration. (exploringnature.org)
  • Numerical modeling was employed to investigate permanganate-based remediation under free convection conditions, considering contaminant treatment, and geochemical reactions including the oxidation of naturally occurring organic matter, mineral dissolution and precipitation, and ion exchange reactions. (ubc.ca)
  • The scientist suggested that their model could be used to prioritize FCCs of concern and accelerate their risk assessment. (foodingredientsfirst.com)
  • We want to sustain the correct use of in silico/QASAR models, as a way to support the evaluation of chemicals safety. (norecopa.no)
  • Most of the studies suggests more researches in specific populations and for evaluation of others Transtheoretical Model constructs. (bvsalud.org)
  • The models were evaluated by comparison with annually averaged measurements of gas, aerosol and precipitation concentrations from the national monitoring networks. (nerc.ac.uk)
  • Issues relating to the relevance of the methods and models currently used to assess neurite outgrowth are discussed in the context of hazard identification and chemical screening. (nih.gov)
  • 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)
  • In particular, chemicals with nitro- group functionality have large prediction errors using the conventional methods. (serdp-estcp.org)
  • New Delhi: Researchers from IIIT-Delhi have developed an Artificial Intelligence-based model to detect carcinogens in chemical structures, which could have importance for the pharma industry for the screening of new drugs . (indiatimes.com)
  • The research on the software, named as Metabokiller, has also been published in Nature Chemical Biology, which is one of the most reputed journals in the field of Chemical Biology, said the researchers. (indiatimes.com)
  • To connect practical aspects of structural and chemical biology to theory, and thereby creating coherence to further the student's understanding and aptitude to research at the interface of traditional academic disciplines. (le.ac.uk)
  • TCAM is one of several chemical transport models, all of which are concerned with the movement of chemicals in the atmosphere, and are thus used in the study of air pollution. (wikipedia.org)
  • The model is implemented in a pore-resolved reactive transport solver, Quilt. (ornl.gov)
  • and transport and diffusion models simulating the contaminant transport based on the flow and turbulence fields generated by the regional model. (health.mil)
  • The new model results (a backward C-shaped profile) suggest that chemical transport models that assume a C-shaped vertical profile of lightning NOx mass may place too much mass near the surface and too little in the middle troposphere. (nasa.gov)
  • Phase-field model was developed and deployed to predict the evolution of the microstructures and to describe the influence of the infiltration conditions on the properties of the composite during CVI process in conjunction with the implication of finite element method. (witpress.com)
  • 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)
  • Our mission: to reduce th impact of chemicals on human beings and environment. (norecopa.no)
  • TCAM is a multiphase three-dimensional eulerian grid model (as opposed to lagrangian or other modeling methods). (wikipedia.org)
  • For each case study, we describe motivation for developing the supply chain optimization model, requirements, modeling methods, deployment and business impact of the model. (springer.com)
  • However, the available methods are not reliable for chemical classes outside their training set. (serdp-estcp.org)
  • Although Level 2 laboratories test a smaller list of chemical threat agents, LRN-C methods are customizable and can be readily adapted to detect broad classifications of new and emerging threat agents. (cdc.gov)
  • 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)
  • The regression models were combined and evaluated against in situ CH4 fluxes. (lu.se)
  • Over the past two decades there have been unexplained deviations from Standard Model expectations of particle interactions involving b-quarks and in particular B mesons. (qmul.ac.uk)
  • The aim will be to make a precision measurement that will add to the wealth of knowledge that particle physics experimentalists and theorists use to understand if the anomalies observed today are from physics beyond the Standard Model of particle physics. (qmul.ac.uk)
  • It can tutor the assignment of oxidation numbers for any chemical formula entered by the student, rather than being limited to a fixed set of problems, and analyze and respond to the student s own work, which is directly entered by the student in detail one step at a time. (chemeducator.org)
  • The investigation was achieved through a sensitivity analysis, the development of a three-dimensional model of a field trial of TCE oxidation, and automated inverse modeling. (ubc.ca)
  • The model specifies the dependence of KP on the chemical properties of the solute and the system phases. (serdp-estcp.org)
  • The dependence of the synaptic responses on the history of activation and their large variability are both distinctive features of repetitive transmission at chemical synapses. (eneuro.org)
  • The interest in studies that improve the treatment of chemical dependence has increased before statistical growth of drugs users in Brazil. (bvsalud.org)
  • In this article, it has been made a revision of studies about the use of Transtheoretical Model utilisation in treatment for chemical dependence. (bvsalud.org)
  • The Laboratory Response Network for Chemical Threats (LRN-C) is a national network of Centers for Disease Control and Prevention (CDC) and local and state public health laboratories that responds to chemical terrorism and other public health emergencies. (cdc.gov)
  • Ensure a local and national asset for laboratory response to a wide range of chemical emergencies and emerging threats. (cdc.gov)
  • However, those models are excellent for conformational analysis. (acs.org)
  • The models were compared graphically by plotting maps and cross-country transects of wet and dry deposition as well as calculating budgets of total wet and dry deposition to the UK for sulphur, oxidised nitrogen and reduced nitrogen. (nerc.ac.uk)
  • Using precisely controlled models of polymer membranes, we will describe the effect of membrane chemistries, polymer crosslinking, free volume density, and feed conditions on the membrane's separation ability. (ufl.edu)
  • Second is the potential for digital to affect demand patterns in end markets, with implications for the chemical industry's value chains. (mckinsey.com)
  • Microwave heating has great potential to accelerate the synthesis of ceramic matrix composites (CMCs) by a process called Chemical Vapor Infiltration (CVI). (ornl.gov)