Numerical simulation of hydrogen fluorine overtone chemical lasers

NASA Astrophysics Data System (ADS)

Chen, Jinbao; Jiang, Zhongfu; Hua, Weihong; Liu, Zejin; Shu, Baihong

1998-08-01

A two-dimensional program was applied to simulate the chemical dynamic process, gas dynamic process and lasing process of a combustion-driven CW HF overtone chemical lasers. Some important parameters in the cavity were obtained. The calculated results included HF molecule concentration on each vibration energy level while lasing, averaged pressure and temperature, zero power gain coefficient of each spectral line, laser spectrum, the averaged laser intensity, output power, chemical efficiency and the length of lasing zone.

Chemical Research Projects Office: Functions, accomplishments, and programs

NASA Technical Reports Server (NTRS)

Kourtides, D. A.; Parker, J. A.

1972-01-01

The purpose, technical accomplishments, and related activities of the Chemical Research Project Group are outlined. Data cover efforts made to: (1) identify chemical research and technology required for solutions to problems of national urgency, synchronous with aeronautics and space effort; (2) conduct basic and applied interdisciplinary research on chemical problems in the areas of macromolecular science and fire research, and (3) provide productive liason with the engineering community and effective transfer of technology to other agencies and industry.

Summaries of FY 1979 research in the chemical sciences

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1980-05-01

The purpose of this report is to help those interested in research supported by the Department of Energy's Division of Chemical Sciences, which is one of six Divisions of the Office of Basic Energy Sciences in the Office of Energy Research. Chemists, physicists, chemical engineers and others who are considering the possibility of proposing research for support by this Division wll find the booklet useful for gauging the scope of the program in basic research, and the relationship of their interests to the overall program. These smmaries are intended to provide a rapid means for becoming acquainted with the Chemicalmore » Sciences program for members of the scientific and technological public, and interested persons in the Legislative and Executive Branches of the Government, in order to indicate the areas of research supported by the Division and energy technologies which may be advanced by use of basic knowledge discovered in this program. Scientific excellence is a major criterion applied in the selection of research supported by Chemical Sciences. Another important consideration is the identifying of chemical, physical and chemical engineering subdisciplines which are advancing in ways which produce new information related to energy, needed data, or new ideas.« less

SITE - EMERGING TECHNOLOGIES: LASER INDUCED PHOTO- CHEMICAL OXIDATIVE DESTRUCTION OF TOXIC ORGANICS IN LEACHATES AND GROUNDWATERS

EPA Science Inventory

The technology described in this report has been developed under the Emerging Technology Program of the Superfund Innovative Technology Evaluation (SITE) Program to photochemically oxidize organic compounds in wastewater by applying ultraviolet radiation using an excimer laser. T...

MPA-11: Materials Synthesis and Integrated Devices; Overview of an Applied Energy Group

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dattelbaum, Andrew Martin

Our mission is to provide innovative and creative chemical synthesis and materials science solutions to solve materials problems across the LANL missions. Our group conducts basic and applied research in areas related to energy security as well as problems relevant to the Weapons Program.

Chemical research projects office functions accomplishments programs. [applied research in the fields of polymer chemistry and polymeric composites with emphasis on fire safety

NASA Technical Reports Server (NTRS)

Heimbuch, A. H.; Parker, J. A.

1975-01-01

Basic and applied research in the fields of polymer chemistry, polymeric composites, chemical engineering, and biophysical chemistry is summarized. Emphasis is placed on fire safety and human survivability as they relate to commercial and military aircraft, high-rise buildings, mines and rapid transit transportation. Materials systems and other fire control systems developed for aerospace applications and applied to national domestic needs are described along with bench-scale and full-scale tests conducted to demonstrate the improvements in performance obtained through the utilization of these materials and fire control measures.

Energy Conversion and Storage Program

NASA Astrophysics Data System (ADS)

Cairns, E. J.

1993-06-01

This report is the 1992 annual progress report for the Energy Conversion and Storage Program, a part of the Energy and Environment Division of the Lawrence Berkeley Laboratory. Work described falls into three broad areas: electrochemistry; chemical applications; and materials applications. The Energy Conversion and Storage Program applies principles of chemistry and materials science to solve problems in several areas: (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes and chemical species, and (5) study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Chemical applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing product and waste streams from synfuel plants, coal gasifiers, and biomass conversion processes. Materials applications research includes evaluation of the properties of advanced materials, as well as development of novel preparation techniques. For example, techniques such as sputtering, laser ablation, and poised laser deposition are being used to produce high-temperature superconducting films.

CHEMISTRY FOR THE SAFETY MAN. SAFETY IN INDUSTRY--ENVIRONMENTAL AND CHEMICAL HAZARDS SERVICES.

ERIC Educational Resources Information Center

CESTRONE, PATRICK F.

THIS BULLETIN, ONE OF A SERIES ON SAFETY IN INDUSTRY, IS INTENDED TO PROVIDE THE BACKGROUND WHICH WILL ENABLE THE SAFETY MAN TO UNDERSTAND SOME OF THE PRINCIPLES APPLIED IN CONTROLLING CHEMICAL HAZARDS. IT WAS PREPARED IN THE OFFICE OF OCCUPATIONAL SAFETY, DIVISION OF PROGRAMING AND RESEARCH, BUREAU OF LABOR STANDARDS. TOPICS INCLUDE (1) WHAT IS…

Topical Hazard Evaluation Program of Candidate Insect Repellent AI3-30180-c, US Department of Agriculture Proprietary Chemical, April 1982 - September 1984.

DTIC Science & Technology

1985-01-10

irritation photochemical chemical and 10 percent reaction under test con- irritation in humans. (wlv) Oil of Bergamot ditions. 2 * - Study No. 75-51-0367-85...control (oil of Bergamot ), than unirradiated skin areas. a and diluent were applied to additional skin areas to serve as unirradiated control sites

Communication, and Team-Working Skills in Second-Year Undergraduate Chemistry Students

ERIC Educational Resources Information Center

Mc Goldrick, Niamh B.; Marzec, Bartosz; Scully, P. Noelle; Draper, Sylvia M.

2013-01-01

Since 2002, a multidisciplinary program has been used to encourage science students to build on their chemical knowledge and to appreciate how it applies to the world around them. The program is interactive and instills a new set of core learning skills that are often underrepresented in undergraduate curricula, namely, cooperative learning,…

40 CFR 180.1043 - Gossyplure; exemption from the requirement of a tolerance.

Code of Federal Regulations, 2011 CFR

2011-07-01

... AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD... requirement of a tolerance in or on the raw agricultural commodity cotton, undelinted seed when applied to...

40 CFR 180.1043 - Gossyplure; exemption from the requirement of a tolerance.

Code of Federal Regulations, 2010 CFR

2010-07-01

... AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD... requirement of a tolerance in or on the raw agricultural commodity cotton, undelinted seed when applied to...

Searching for “Environmentally-Benign” Antifouling Biocides

PubMed Central

Cui, Yan Ting; Teo, Serena L. M.; Leong, Wai; Chai, Christina L. L.

2014-01-01

As the result of the ecological impacts from the use of tributyltins (TBT) in shipping, environmental legislation for the registration of chemicals for use in the environment has grown to a monumental challenge requiring product dossiers to include information on the environmental fate and behavior of any chemicals. Specifically, persistence, bioaccumulation and toxicity, collectively known as PBT, are properties of concern in the assessment of chemicals. However, existing measurements of PBT properties are a cumbersome and expensive process, and thus not applied in the early stages of the product discovery and development. Inexpensive methods for preliminary PBT screening would minimize risks arising with the subsequent registration of products. In this article, we evaluated the PBT properties of compounds reported to possess anti-fouling properties using QSAR (quantitative structure-activity relationship) prediction programs such as BIOWIN™ (a biodegradation probability program), KOWWIN™ (log octanol-water partition coefficient calculation program) and ECOSAR™ (Ecological Structure Activity Relationship Programme). The analyses identified some small (Mr < 400) synthetic and natural products as potential candidates for environmentally benign biocides. We aim to demonstrate that while these methods of estimation have limitations, when applied with discretion, they are powerful tools useful in the early stages of research for compound selection for further development as anti-foulants. PMID:24865489

Animal Use and Lessons Learned in the U.S. High Production Volume Chemicals Challenge Program

PubMed Central

Manuppello, Joseph R.; Willett, Catherine E.; Sandler, Jessica T.

2012-01-01

Background: Launched by the U.S. Environmental Protection Agency (EPA) in 1998, the High Production Volume (HPV) Challenge Program was developed to address the perceived gap in basic hazard information for the 2,800 chemicals produced or imported into the United States in quantities of ≥ 1 million pounds per year. Health and environmental effects data obtained from either existing information or through new vertebrate animal testing were voluntarily submitted by chemical companies (sponsors) to the U.S. EPA. Despite the potential for extensive animal testing, animal welfare guidelines were not provided until after the start of the program. Objectives: We evaluated compliance with the animal welfare principles that arose from an agreement reached between the U.S. EPA and animal protection organizations and tracked the HPV program’s use of animals for testing. Discussion: Under a worst-case scenario, the HPV program had the potential to consume 3.5 million animals in new testing. After application of animal-saving measures, approximately 127,000 were actually used. Categorization of chemicals based on similar structure–activity and application of read-across, along with use of existing test data, were the most effective means of reducing animal testing. However, animal-saving measures were inconsistently used by both sponsors and the U.S. EPA. Conclusions: Lessons learned from the HPV program can be applied to future programs to minimize animal testing and promote more human-relevant chemical risk assessment. PMID:23033452

Addition to the Lewis Chemical Equilibrium Program to allow computation from coal composition data

NASA Technical Reports Server (NTRS)

Sevigny, R.

1980-01-01

Changes made to the Coal Gasification Project are reported. The program was developed by equilibrium combustion in rocket engines. It can be applied directly to the entrained flow coal gasification process. The particular problem addressed is the reduction of the coal data into a form suitable to the program, since the manual process is involved and error prone. A similar problem in relating the normal output of the program to parameters meaningful to the coal gasification process is also addressed.

Docking-based classification models for exploratory toxicology ...

EPA Pesticide Factsheets

Background: Exploratory toxicology is a new emerging research area whose ultimate mission is that of protecting human health and environment from risks posed by chemicals. In this regard, the ethical and practical limitation of animal testing has encouraged the promotion of computational methods for the fast screening of huge collections of chemicals available on the market. Results: We derived 24 reliable docking-based classification models able to predict the estrogenic potential of a large collection of chemicals having high quality experimental data, kindly provided by the U.S. Environmental Protection Agency (EPA). The predictive power of our docking-based models was supported by values of AUC, EF1% (EFmax = 7.1), -LR (at SE = 0.75) and +LR (at SE = 0.25) ranging from 0.63 to 0.72, from 2.5 to 6.2, from 0.35 to 0.67 and from 2.05 to 9.84, respectively. In addition, external predictions were successfully made on some representative known estrogenic chemicals. Conclusion: We show how structure-based methods, widely applied to drug discovery programs, can be adapted to meet the conditions of the regulatory context. Importantly, these methods enable one to employ the physicochemical information contained in the X-ray solved biological target and to screen structurally-unrelated chemicals. Shows how structure-based methods, widely applied to drug discovery programs, can be adapted to meet the conditions of the regulatory context. Evaluation of 24 reliable dockin

A Field Program to Identify TRI Chemicals and Determine Emission Factors from DoD Munitions Activities

DTIC Science & Technology

2006-01-01

Aerosol Lidar ........................................................................ 14 3.3 Selection of Target Toxic Release Inventory (TRI...initiated in 2001 to respond to SERDP Statement of Need (SON) CPSON-01-01 to develop and apply an approach to measure emission factors of Toxic Release...businesses are required to submit reports each year on the amount of toxic chemicals their facilities release into the environment, either routinely or

EPAS TOXCAST PROGRAM FOR PREDICTING HAZARD AND PRIORITIZING TOXICITY TESTING OF ENVIRONMENTAL CHEMICALS(S).

EPA Science Inventory

EPAs National Center for Computational Toxicology is developing methods that apply computational chemistry, high-throughput screening (HTS) and genomic technologies to predict potential toxicity and prioritize the use of limited testing resources.

SAR/QSAR methods in public health practice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demchuk, Eugene, E-mail: edemchuk@cdc.gov; Ruiz, Patricia; Chou, Selene

2011-07-15

Methods of (Quantitative) Structure-Activity Relationship ((Q)SAR) modeling play an important and active role in ATSDR programs in support of the Agency mission to protect human populations from exposure to environmental contaminants. They are used for cross-chemical extrapolation to complement the traditional toxicological approach when chemical-specific information is unavailable. SAR and QSAR methods are used to investigate adverse health effects and exposure levels, bioavailability, and pharmacokinetic properties of hazardous chemical compounds. They are applied as a part of an integrated systematic approach in the development of Health Guidance Values (HGVs), such as ATSDR Minimal Risk Levels, which are used to protectmore » populations exposed to toxic chemicals at hazardous waste sites. (Q)SAR analyses are incorporated into ATSDR documents (such as the toxicological profiles and chemical-specific health consultations) to support environmental health assessments, prioritization of environmental chemical hazards, and to improve study design, when filling the priority data needs (PDNs) as mandated by Congress, in instances when experimental information is insufficient. These cases are illustrated by several examples, which explain how ATSDR applies (Q)SAR methods in public health practice.« less

Innovations in Undergraduate Chemical Biology Education.

PubMed

Van Dyke, Aaron R; Gatazka, Daniel H; Hanania, Mariah M

2018-01-19

Chemical biology derives intellectual vitality from its scientific interface: applying chemical strategies and perspectives to biological questions. There is a growing need for chemical biologists to synergistically integrate their research programs with their educational activities to become holistic teacher-scholars. This review examines how course-based undergraduate research experiences (CUREs) are an innovative method to achieve this integration. Because CUREs are course-based, the review first offers strategies for creating a student-centered learning environment, which can improve students' outcomes. Exemplars of CUREs in chemical biology are then presented and organized to illustrate the five defining characteristics of CUREs: significance, scientific practices, discovery, collaboration, and iteration. Finally, strategies to overcome common barriers in CUREs are considered as well as future innovations in chemical biology education.

Analysis of an algae-based CELSS. I - Model development

NASA Technical Reports Server (NTRS)

Holtzapple, Mark T.; Little, Frank E.; Makela, Merry E.; Patterson, C. O.

1989-01-01

A steady state chemical model and computer program have been developed for a life support system and applied to trade-off studies. The model is based on human demand for food and oxygen determined from crew metabolic needs. The model includes modules for water recycle, waste treatment, CO2 removal and treatment, and food production. The computer program calculates rates of use and material balance for food, O2, the recycle of human waste and trash, H2O, N2, and food production/supply. A simple noniterative solution for the model has been developed using the steady state rate equations for the chemical reactions. The model and program have been used in system sizing and subsystem trade-off studies of a partially closed life support system.

Analysis of an algae-based CELSS. Part 1: model development

NASA Technical Reports Server (NTRS)

Holtzapple, M. T.; Little, F. E.; Makela, M. E.; Patterson, C. O.

1989-01-01

A steady state chemical model and computer program have been developed for a life support system and applied to trade-off studies. The model is based on human demand for food and oxygen determined from crew metabolic needs. The model includes modules for water recycle, waste treatment, CO2 removal and treatment, and food production. The computer program calculates rates of use and material balance for food. O2, the recycle of human waste and trash, H2O, N2, and food production supply. A simple non-iterative solution for the model has been developed using the steady state rate equations for the chemical reactions. The model and program have been used in system sizing and subsystem trade-off studies of a partially closed life support system.

Microgravity: A New Tool for Basic and Applied Research in Space

NASA Technical Reports Server (NTRS)

1985-01-01

This brochure highlights selected aspects of the NASA Microgravity Science and Applications program. So that we can expand our understanding and control of physical processes, this program supports basic and applied research in electronic materials, metals, glasses and ceramics, biological materials, combustion and fluids and chemicals. NASA facilities that provide weightless environments on the ground, in the air, and in space are available to U.S. and foreign investigators representing the academic and industrial communities. After a brief history of microgravity research, the text explains the advantages and methods of performing microgravity research. Illustrations follow of equipment used and experiments preformed aboard the Shuttle and of prospects for future research. The brochure concludes be describing the program goals and the opportunities for participation.

40 CFR 63.11502 - What definitions apply to this subpart?

Code of Federal Regulations, 2011 CFR

2011-07-01

... begins with the initiation of steps as described in a written standard operating procedures (SOP) or... PROGRAMS (CONTINUED) NATIONAL EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS FOR SOURCE CATEGORIES (CONTINUED) National Emission Standards for Hazardous Air Pollutants for Chemical Manufacturing Area Sources...

Analytical technique characterizes all trace contaminants in water

NASA Technical Reports Server (NTRS)

Foster, J. N.; Lysyj, I.; Nelson, K. H.

1967-01-01

Properly programmed combination of advanced chemical and physical analytical techniques characterize critically all trace contaminants in both the potable and waste water from the Apollo Command Module. This methodology can also be applied to the investigation of the source of water pollution.

Laser-induced fluorescence spectroscopy for improved chemical analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gelbwachs, J.A.

1983-09-01

This report summarizes the progress achieved over the past five years in the laser-induced fluorescence spectroscopy (LIFS) for improved chemical analysis program. Our initial efforts yielded significantly lower detection limits for trace elemental analysis by the use of both cw and pulsed laser excitations. New methods of LIFS were developed that were shown to overcome many of the traditional limitations to LIFS techniques. LIFS methods have been applied to yield fundamental scientific data that further the understanding of forces between atoms and other atoms and molecules. In recent work, two-photon ionization was combined with LIFS and applied, for the firstmore » time, to the study of energy transfer in ions.« less

Topical Hazard Evaluation Program of Candidate Insect Repellents AI3-38352a, AI3-38354a, AI3-38355a, US Department of Agriculture Proprietary Chemicals, May 1982 - November 1983.

DTIC Science & Technology

1983-11-01

irrita- chemical and of 10% (wv) A13-38357a, AI3-38360a, tion reaction under Oil of Bergamot (positive and Ar3-38361a did test conditions and control...caused a greater Irritant positive control (Oil of effect than In un- Bergamot ) and diluent were Irradiated skin areas. applied to additional skin

Economic analysis of revenue losses and control costs associated with the spotted wing drosophila, Drosophila suzukii (Matsumura), in the California raspberry industry.

PubMed

Farnsworth, Derek; Hamby, Kelly A; Bolda, Mark; Goodhue, Rachael E; Williams, Jeffrey C; Zalom, Frank G

2017-06-01

The spotted wing drosophila (SWD), Drosophila suzukii (Matsumura), is an invasive vinegar fly with a preference for infesting commercially viable berries and stone fruits. SWD infestations can reduce yields significantly, necessitating additional management activities. This analysis estimates economic losses in the California raspberry industry that have resulted from the SWD invasion. California raspberry producers experienced considerable revenue losses and management costs in the first years following SWD's invasion of North America. Conventional producers have since developed effective chemical management programs, virtually eliminating revenue losses due to SWD and reducing the cost of management to that of purchasing and applying insecticides more often. Organic raspberry producers, who do not have access to the same chemical controls, continue to confront substantial SWD-related revenue losses. These losses can be mitigated only by applying expensive insecticides registered for organic use and by performing labor-intensive field sanitation. SWD's invasion into North America has caused extensive crop losses to berry and cherry crops in California and elsewhere. Agricultural producers and researchers have responded quickly to this pest by developing management programs that significantly reduce revenue losses. Economic losses are expected to continue to fall as producers learn to manage SWD more efficiently and as new control tactics become available. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

10 CFR Appendix A to Part 605 - The Energy Research Program Office Descriptions

Code of Federal Regulations, 2010 CFR

2010-01-01

... inorganic chemistry; chemical physics; atomic physics; photochemistry; radiation chemistry; thermodynamics... is comprised of the subfields metallurgy, ceramics, solid state physics, materials chemistry, and... listed below. (a) Applied Plasma Physics (APP) This Division seeks to develop that body of physics...

Applying 21st century tools to watersheds of the western US: Sites, bioactivities, and chemicals of concern

EPA Science Inventory

The webinar focused on ways that ToxCast high throughput screening data and the adverse outcome pathway framework, under development in the CSS program, can be used to prioritize environmental contaminants for monitoring and management.

A computational approach to extinction events in chemical reaction networks with discrete state spaces.

PubMed

Johnston, Matthew D

2017-12-01

Recent work of Johnston et al. has produced sufficient conditions on the structure of a chemical reaction network which guarantee that the corresponding discrete state space system exhibits an extinction event. The conditions consist of a series of systems of equalities and inequalities on the edges of a modified reaction network called a domination-expanded reaction network. In this paper, we present a computational implementation of these conditions written in Python and apply the program on examples drawn from the biochemical literature. We also run the program on 458 models from the European Bioinformatics Institute's BioModels Database and report our results. Copyright © 2017 Elsevier Inc. All rights reserved.

Controlled Chemical Patterns with ThermoChemical NanoLithography (TCNL)

NASA Astrophysics Data System (ADS)

Carroll, Keith; Giordano, Anthony; Wang, Debin; Kodali, Vamsi; King, W. P.; Marder, S. R.; Riedo, E.; Curtis, J. E.

2012-02-01

Many research areas, both fundamental and applied, rely upon the ability to organize non-trivial assemblies of molecules on surfaces. In this work, we introduce a significant extension of ThermoChemical NanoLithography (TCNL), a high throughput chemical patterning technique that uses temperature-driven chemical reactions localized near the tip of a thermal cantilever. By combining a chemical kinetics based model with experiments, we have developed a protocol for varying the concentration of surface bound molecules. The result is an unprecedented ability to fabricate extremely complex patterns comprised of varying chemical concentrations, as demonstrated by sinusoidal patterns of amine groups with varying pitches (˜5-15 μm) and the replication of Leonardo da Vinci's Mona Lisa with dimensions of ˜30 x 40 μm^2. Programmed control of the chemical reaction rate should have widespread applications for a technique which has already been shown to nanopattern various substrates including graphene nanowires, piezoelectric crystals, and optoelectronic materials.

ECUT: Energy Conversion and Utilization Technologies program. Biocatalysis project

NASA Technical Reports Server (NTRS)

1990-01-01

The Biocatalysis Project is a mission-oriented, applied research and exploratory development activity directed toward resolution of the major generic technical barriers that impede the development of biologically catalyzed commercial chemical production. The approach toward achieving project objectives involves an integrated participation of Universities, Industrial Companies and Government Research Laboratories. The Project's technical activities were organized into three work elements: molecular modeling and applied genetics; bioprocess engineering; and bioprocess design and assessment.

MODIFYING EPA METHOD 314.0 FOR ANALYSIS OF PERCHLORATE IN AQUEOUS SAMPLES CONTAINING HIGH TOTAL DISSOLVED SOLIDS

EPA Science Inventory

Through the Regional Applied Research Effort (RARE) program, the Chemical Exposure Research Branch and Region 9 personnel in San Francisco, California are collaborating on a project to explore sample pretreatment and preconcentration techniques to lower the method detection limit...

40 CFR 180.1142 - 1,4-Dimethylnaphthalene; exemption from the requirement of a tolerance.

Code of Federal Regulations, 2011 CFR

2011-07-01

... PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN... tolerance. An exemption from the requirement of a tolerance is established for residues of the plant growth regulator 1,4-dimethylnaphthalene when applied post harvest to potatoes in accordance with good agricultural...

40 CFR 180.1142 - 1,4-Dimethylnaphthalene; exemption from the requirement of a tolerance.

Code of Federal Regulations, 2010 CFR

2010-07-01

... PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN... tolerance. An exemption from the requirement of a tolerance is established for residues of the plant growth regulator 1,4-dimethylnaphthalene when applied post harvest to potatoes in accordance with good agricultural...

Synthesis of Moored Observations Collected During the IWISE 2011 Field Program in the South China Sea

DTIC Science & Technology

2015-09-30

understanding of coastal oceanography by means of applying simple dynamical theories to high-quality observations obtained in the field. My primary...area of expertise is physical oceanography , but I also enjoy collaborating with biological, chemical, acoustical, and optical oceanographers to work

Laser-induced-fluorescence spectroscopy for improved chemical analysis. Progress report, 1978-1983

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gelbwachs, J.A.

1983-09-01

This report summarizes the progress achieved over the past five years in the laser-induced fluorescence spectroscopy (LIFS) for improved chemical analysis program. Our initial efforts yielded significantly lower detection limits for trace elemental analysis by the use of both cw and pulsed laser excitations. New methods of LIFS were developed that were shown to overcome many of the traditional limitations to LIFS techniques. LIFS methods have been applied to yield fundamental scientific data that further the understanding of forces between atoms and other atoms and molecules. In recent work, two-photon ionization was combined with LIFS and applied, for the firstmore » time, to the study of energy transfer in ions.« less

Laser-induced-fluorescence spectroscopy for improved chemical analysis. Progress report, 1978-1983

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gelbwachs, J.A.

1983-09-01

This report summarizes the progress achieved over the past five years in the laser-induced-fluorescence spectroscopy (LIFS) for improved chemical-analysis program. Our initial efforts yielded significantly lower detection limits for trace elemental analysis by the use of both cw and pulsed-laser excitations. New methods of LIFS were developed that were shown to overcome many of the traditional limitations to LIFS techniques. LIFS methods have been applied to yield fundamental scientific data that further the understanding of forces between atoms and other atoms and molecules. In recent work, two-photon ionization was combined with LIFS and applied, for the first time, to themore » study of energy transfer in ions.« less

Tighten water-chemistry control after boiler layup

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brestel, L.

1994-01-01

The potential for internal deposition and corrosion can affect boiler reliability by reducing thermal efficiency, tube integrity, and the time between chemical cleanings. While chemical control specifications for normal operation have been developed by consensus of manufacturers and industry, their impact on shutdowns, layups, and startups is not always appreciated. The discussion of chemical-control options applies to boiler systems operating in the medium- and high-pressure ranges. Identification and correction of root causes underlying the chemistry problems encountered and application of the principles involved should result in shorter startup times, improved control over phosphate hideout, and reduced need for chemical cleaning.more » Each of these has a significant cost impact; together, they are the true measure of a successful chemistry-control program.« less

Modelling and scale-up of chemical flooding: Second annual report for the period October 1986--September 1987

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pope, G.A.; Lake, L.W.; Sepehrnoori, K.

1988-11-01

The objective of this research is to develop, validate, and apply a comprehensive chemical flooding simulator for chemical recovery processes involving surfactants, polymers, and alkaline chemicals in various combinations. This integrated program includes components of laboratory experiments, physical property modelling, scale-up theory, and numerical analysis as necessary and integral components of the simulation activity. Developing, testing and applying flooding simulator (UTCHEM) to a wide variety of laboratory and reservoir problems involving tracers, polymers, polymer gels, surfactants, and alkaline agent has been continued. Improvements in both the physical-chemical and numerical aspects of UTCHEM have been made which enhance its versatility, accuracymore » and speed. Supporting experimental studies during the past year include relative permeability and trapping of microemulsion, tracer flow studies oil recovery in cores using alcohol free surfactant slugs, and microemulsion viscosity measurements. These have enabled model improvement simulator testing. Another code called PROPACK has also been developed which is used as a preprocessor for UTCHEM. Specifically, it is used to evaluate input to UTCHEM by computing and plotting key physical properties such as phase behavior interfacial tension.« less

Catalysis and biocatalysis program

NASA Technical Reports Server (NTRS)

1991-01-01

The annual report presents the fiscal year (FY) 1990 research activities and accomplishments for the Catalysis and Biocatalysis Program of the Advanced Industrial Concepts Division (AICD), Office of Industrial Technologies of the Department of Energy (DOE). The mission of the AICD is to create a balanced program of high risk, long term, directed interdisciplinary research and development that will improve energy efficiency and enhance fuel flexibility in the industrial sector. The Catalysis and Biocatalysis Program's technical activities were organized into five work elements: the Molecular Modeling and Catalysis by Design element; the Applied Microbiology and Genetics element; the Bioprocess Engineering element; the Separations and Novel Chemical Processes element; and the Process Design and Analysis element.

SIAM conference on applications of dynamical systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-01-01

A conference (Oct.15--19, 1992, Snowbird, Utah; sponsored by SIAM (Society for Industrial and Applied Mathematics) Activity Group on Dynamical Systems) was held that highlighted recent developments in applied dynamical systems. The main lectures and minisymposia covered theory about chaotic motion, applications in high energy physics and heart fibrillations, turbulent motion, Henon map and attractor, integrable problems in classical physics, pattern formation in chemical reactions, etc. The conference fostered an exchange between mathematicians working on theoretical issues of modern dynamical systems and applied scientists. This two-part document contains abstracts, conference program, and an author index.

SIAM conference on applications of dynamical systems. Abstracts and author index

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-12-31

A conference (Oct.15--19, 1992, Snowbird, Utah; sponsored by SIAM (Society for Industrial and Applied Mathematics) Activity Group on Dynamical Systems) was held that highlighted recent developments in applied dynamical systems. The main lectures and minisymposia covered theory about chaotic motion, applications in high energy physics and heart fibrillations, turbulent motion, Henon map and attractor, integrable problems in classical physics, pattern formation in chemical reactions, etc. The conference fostered an exchange between mathematicians working on theoretical issues of modern dynamical systems and applied scientists. This two-part document contains abstracts, conference program, and an author index.

40 CFR 180.1210 - Phosphorous acid; exemption from the requirement of a tolerance.

Code of Federal Regulations, 2011 CFR

2011-07-01

... AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD... exemption from the requirement of a tolerance is established for residues of phosphorous acid and its... and in or on potatoes when applied as a post-harvest treatment at 35,600 ppm or less phosphorous acid...

40 CFR 180.1210 - Phosphorous acid; exemption from the requirement of a tolerance.

Code of Federal Regulations, 2010 CFR

2010-07-01

... AGENCY (CONTINUED) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD... exemption from the requirement of a tolerance is established for residues of phosphorous acid and its... and in or on potatoes when applied as a post-harvest treatment at 35,600 ppm or less phosphorous acid...

Guidance for the application of a population modeling framework in coordination with field based monitoring studies for multiple species and sites

EPA Science Inventory

A modeling framework was developed that can be applied in conjunction with field based monitoring efforts (e.g., through effects-based monitoring programs) to link chemically-induced alterations in molecular and biochemical endpoints to adverse outcomes in whole organisms and pop...

Argonne Chemical Sciences & Engineering - Center for Electrical Energy

Science.gov Websites

electrodes at the SEI interface, Li-ion batteries show limited calendar and cycle life--less than 2 years energy storage requirements. The CEES will focus on lithium batteries, as they offer the best opportunity of Argonne's Applied Battery Research and Development Program. EFRCs at Argonne The Center for

Environmental Justice and Green-Technology Adoption

ERIC Educational Resources Information Center

Ong, Paul

2012-01-01

This paper presents an analysis of an environmental justice (EJ) program adopted by the South Coast Air Quality Management District (SCAQMD) as a part of its regulation to phase out a toxic chemical used by dry cleaners. SCAQMD provided financial incentives to switch early and gave establishments in EJ neighborhoods priority in applying for…

Development of Improved Chemicals and Plastics from Oilseeds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nugent, Patricia A.; Lysenko, Zenon

2006-11-09

The overall objective of this program was to develop technology that can be applied to the production of various chemicals and plastics from seed oils. This research and development program included activities in all four key barrier areas identified in the US DOE Technology Roadmap for Plant/Crop-Based Renewable Resources, namely Plant Science, Production, Processing, and Utilization. Participants in the project included The Dow Chemical Company, Castor Oil, Inc., and the USDA Western Regional Research Center (WRRC). The objective of this production task was to evaluate and develop metathesis catalyst technology as a means of utilizing seed oils as feedstocks formore » the chemical industry. Specifically, ethenolysis of fatty acid methyl esters, FAME’s, leads to functionalized derivatives. These serve as valuable starting points for materials which cascade into a variety of applications, many of which have a current market presence. The relatively recent discovery and commercial availability of a family of metathesis catalysts which are tolerant of polar functional groups and the acquisition and implementation of high throughput synthesis and screening infrastructure led to a prime opportunity to investigate this project area.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

The Ames Laboratory conducts fundamental research in the physical, chemical, materials, and mathematical sciences and engineering which underlie energy generating, conversion, transmission and storage technologies, environmental improvement, and other technical areas essential to national needs. These efforts will be maintained so as to contribute to the achievement of the vision of DOE and, more specifically, to increase the general levels of knowledge and technical capabilities, to prepare engineering and physical sciences students for the future, both academia and industry, and to develop new technologies and practical applications from our basic scientific programs that will contribute to a strengthening of themore » US economy. The Laboratory approaches all its operations with the safety and health of all workers as a constant objective and with genuine concern for the environment. The Laboratory relies upon its strengths in materials synthesis and processing, materials reliability, chemical analysis, chemical sciences, photosynthesis, materials sciences, metallurgy, high-temperature superconductivity, and applied mathematical sciences to conduct the long term basic and intermediate range applied research needed to solve the complex problems encountered in energy production, and utilization as well as environmental restoration and waste management. Ames Laboratory will continue to maintain a very significant and highly beneficial pre-college math and science education program which currently serves both teachers and students at the middle school and high school levels. Our technology transfer program is aided by joint efforts with ISU`s technology development and commercialization enterprise and will sustain concerted efforts to implement Cooperative Research and Development Agreements, industrially sponsored Work for Others projects. and scientific personnel exchanges with our various customers.« less

Behavior of complex mixtures in aquatic environments: a synthesis of PNL ecological research

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fickeisen, D.H.; Vaughan, B.E.

1984-06-01

The term complex mixture has been recently applied to energy-related process streams, products and wastes that typically contain hundreds or thousands of individual organic compounds, like petroleum or synthetic fuel oils; but it is more generally applicable. A six-year program of ecological research has focused on four areas important to understanding the environmental behavior of complex mixtures: physicochemical variables, individual organism responses, ecosystems-level determinations, and metabolism. Of these areas, physicochemical variables and organism responses were intensively studied; system-level determinations and metabolism represent more recent directions. Chemical characterization was integrated throughout all areas of the program, and state-of-the-art methods were applied.more » 155 references, 35 figures, 4 tables.« less

Cometary MHD and chemistry

NASA Technical Reports Server (NTRS)

Wegmann, R.; Schmidt, H. U.; Huebner, W. F.; Boice, D. C.

1987-01-01

An MHD and chemical comet-coma model was developed, applying the computer program of Huebner (1985) for the detailed chemical evolution of a spherically expanding coma and the program of Schmidt and Wegman (1982) and Wegman (1987) for the MHD flow of plasma and magnetic field in a comet to the Giotto-mission data on the ion abundances measured by the HIS ion mass spectrometer. The physics and chemistry of the coma are modeled in great detail, including photoprocesses, gas-phase chemical kinetics, energy balance with a separate electron temperature, multifluid hydrodynamics with a transition to free molecular flow, fast-streaming atomic and molecular hydrogen, counter and cross streaming of the ionized species relative to the neutral species in the coma-solar wind interaction region with momentum exchange by elastic collisions, mass-loading through ion pick-up, and Lorentz forces of the advected magnetic field. The results, both inside and outside of the contact surface, are discussed and compared with the relevant HIS ion mass spectra.

Basic and applied research program. Semiannual report, July-December 1978

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butler, B.L.

1979-12-01

The status of research projects in the Basic and Applied Research Program at SERI is presented for the semiannual period ending December 31, 1978. The five tasks in this program are grouped into Materials Research and Development, Materials Processing and Development, Photoconversion Research, Exploratory Research, and Energy Resource and Assessment and have been carried out by personnel in the Materials, Bio/Chemical Conversion, and Energy Resource and Assessment Branches. Subtask elements in the task areas include coatings and films, polymers, metallurgy and corrosion, optical materials, surfaces and interfaces in materials research and development; photochemistry, photoelectrochemistry, and photobiology in photoconversion; thin glassmore » mirror development, silver degradation of mirrors, hail resistance of thin glass, thin glass manufacturing, cellular glass development, and sorption by desiccants in materials processing and development; and thermoelectric energy conversion, desiccant cooling, photothermal degradation, and amorphous materials in exploratory research. For each task or subtask element, the overview, scope, goals, approach, apparatus and equipment, and supporting subcontracts are presented, as applicable, in addition to the status of the projects in each task or subtask. Listing of publications and reports authored by personnel associated with the Basic and Applied Research Program and prepared or published during 1978 are also included.« less

ETV Program Report: Coatings for Wastewater Collection ...

EPA Pesticide Factsheets

The Standard Cement Materials, Inc. Standard Epoxy Coating 4553™ (SEC 4553) epoxy coating used for wastewater collection system rehabilitation was evaluated by EPA’s Environmental Technology Verification Program under laboratory conditions at the Center for Innovative Grouting Material and Technology (CIGMAT) Laboratory at the University of Houston. Testing was conducted over a period of six months to evaluate the coating’s (1) chemical resistance and (2) bonding strength for infrastructure applications. For chemical resistance, coated concrete and clay bricks with holidays (holes created in the coating) were used to evaluate the chemical resistance of the coating/substrate bond under a corrosive environment. Twenty coated concrete (dry and wet) and 20 coated clay brick (dry and wet) specimens were exposed to DI water and sulfuric acid solution (pH=1), and the specimens were visually inspected and weight changes measured. Evaluation of the coating-to-substrate bonding strength was determined using two modified ASTM test methods – one to determine bond strength of the coating with two specimens sandwiched together using the coating, and the second to determine the bond strength by applying a tensile load to the coating applied to specimens of each substrate. Forty-eight bonding tests were performed over the six month evaluation. The tests resulted in the following conclusions about Standard Cement’s SEC 4553 coating: • After the six-month chemi

Developing the Biomolecular Screening Facility at the EPFL into the Chemical Biology Screening Platform for Switzerland.

PubMed

Turcatti, Gerardo

2014-05-01

The Biomolecular Screening Facility (BSF) is a multidisciplinary laboratory created in 2006 at the Ecole Polytechnique Federale de Lausanne (EPFL) to perform medium and high throughput screening in life sciences-related projects. The BSF was conceived and developed to meet the needs of a wide range of researchers, without privileging a particular biological discipline or therapeutic area. The facility has the necessary infrastructure, multidisciplinary expertise and flexibility to perform large screening programs using small interfering RNAs (siRNAs) and chemical collections in the areas of chemical biology, systems biology and drug discovery. In the framework of the National Centres of Competence in Research (NCCR) Chemical Biology, the BSF is hosting 'ACCESS', the Academic Chemical Screening Platform of Switzerland that provides the scientific community with chemical diversity, screening facilities and know-how in chemical genetics. In addition, the BSF started its own applied research axes that are driven by innovation in thematic areas related to preclinical drug discovery and discovery of bioactive probes.

Repair, Evaluation, Maintenance, and Rehabilitation Research Program. Underwater Applied Coatings: A State-of-the-Art Investigation

DTIC Science & Technology

1988-10-01

City, CA 91780 Advanced Coatings and Chemicals 6 CEL Epoxy Temple City, CA 91780 Sika Corporation 7 Sikagard 61 (SikAgard 644 Red) Lynhurst, NJ 07071... Sika Corporation 8 Sikagard-61 (Sikagard 643 Cray) Lynhurst, NJ 07071 Alocit Products 9 Alocit Aquacoat 28.15 Warfield Company, Incorporated Broomall

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

This document comprises Pacific Northwest National Laboratory`s report for Fiscal Year 1996 on research and development programs. The document contains 161 project summaries in 16 areas of research and development. The 16 areas of research and development reported on are: atmospheric sciences, biotechnology, chemical instrumentation and analysis, computer and information science, ecological science, electronics and sensors, health protection and dosimetry, hydrological and geologic sciences, marine sciences, materials science and engineering, molecular science, process science and engineering, risk and safety analysis, socio-technical systems analysis, statistics and applied mathematics, and thermal and energy systems. In addition, this report provides an overview ofmore » the research and development program, program management, program funding, and Fiscal Year 1997 projects.« less

ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology.

PubMed

Richard, Ann M; Judson, Richard S; Houck, Keith A; Grulke, Christopher M; Volarath, Patra; Thillainadarajah, Inthirany; Yang, Chihae; Rathman, James; Martin, Matthew T; Wambaugh, John F; Knudsen, Thomas B; Kancherla, Jayaram; Mansouri, Kamel; Patlewicz, Grace; Williams, Antony J; Little, Stephen B; Crofton, Kevin M; Thomas, Russell S

2016-08-15

The U.S. Environmental Protection Agency's (EPA) ToxCast program is testing a large library of Agency-relevant chemicals using in vitro high-throughput screening (HTS) approaches to support the development of improved toxicity prediction models. Launched in 2007, Phase I of the program screened 310 chemicals, mostly pesticides, across hundreds of ToxCast assay end points. In Phase II, the ToxCast library was expanded to 1878 chemicals, culminating in the public release of screening data at the end of 2013. Subsequent expansion in Phase III has resulted in more than 3800 chemicals actively undergoing ToxCast screening, 96% of which are also being screened in the multi-Agency Tox21 project. The chemical library unpinning these efforts plays a central role in defining the scope and potential application of ToxCast HTS results. The history of the phased construction of EPA's ToxCast library is reviewed, followed by a survey of the library contents from several different vantage points. CAS Registry Numbers are used to assess ToxCast library coverage of important toxicity, regulatory, and exposure inventories. Structure-based representations of ToxCast chemicals are then used to compute physicochemical properties, substructural features, and structural alerts for toxicity and biotransformation. Cheminformatics approaches using these varied representations are applied to defining the boundaries of HTS testability, evaluating chemical diversity, and comparing the ToxCast library to potential target application inventories, such as used in EPA's Endocrine Disruption Screening Program (EDSP). Through several examples, the ToxCast chemical library is demonstrated to provide comprehensive coverage of the knowledge domains and target inventories of potential interest to EPA. Furthermore, the varied representations and approaches presented here define local chemistry domains potentially worthy of further investigation (e.g., not currently covered in the testing library or defined by toxicity "alerts") to strategically support data mining and predictive toxicology modeling moving forward.

Micro Thermal and Chemical Systems for In Situ Resource Utilization on Mars

NASA Technical Reports Server (NTRS)

Wegeng, Robert S.; Sanders, Gerald

2000-01-01

Robotic sample return missions and postulated human missions to Mars can be greatly aided through the development and utilization of compact chemical processing systems that process atmospheric gases and other indigenous resources to produce hydrocarbon propellants/fuels, oxygen, and other needed chemicals. When used to reduce earth launch mass, substantial cost savings can result. Process Intensification and Process Miniaturization can simultaneously be achieved through the application of microfabricated chemical process systems, based on the rapid heat and mass transport in engineered microchannels. Researchers at NASA's Johnson Space Center (JSC) and the Department of Energy's Pacific Northwest National Laboratory (PNNL) are collaboratively developing micro thermal and chemical systems for NASA's Mission to Mars program. Preliminary results show that many standard chemical process components (e.g., heat exchangers, chemical reactors and chemical separations units) can be reduced in hardware volume without a corresponding reduction in chemical production rates. Low pressure drops are also achievable when appropriate scaling rules are applied. This paper will discuss current progress in the development of engineered microchemical systems for space and terrestrial applications, including fabrication methods, expected operating characteristics, and specific experimental results.

Energy conversion and storage program

NASA Astrophysics Data System (ADS)

Cairns, E. J.

1992-03-01

The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in: (1) production of new synthetic fuels; (2) development of high-performance rechargeable batteries and fuel cells; (3) development of advanced thermochemical processes for energy conversion; (4) characterization of complex chemical processes; and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical energy storage and conversion. Chemical Applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing waste streams from synfuel plants and coal gasifiers. Other research projects seek to identify and characterize the constituents of liquid fuel-system streams and to devise energy-efficient means for their separation. Materials Applications research includes the evaluation of the properties of advanced materials, as well as the development of novel preparation techniques. For example, the use of advanced techniques, such as sputtering and laser ablation, are being used to produce high-temperature superconducting films.

Adapting an ambient monitoring program to the challenge of managing emerging pollutants in the San Francisco Estuary.

PubMed

Hoenicke, Rainer; Oros, Daniel R; Oram, John J; Taberski, Karen M

2007-09-01

While over seven million organic and inorganic compounds that have been indexed by the American Chemical Society's Chemical Abstracts Service in their CAS Registry are commercially available, most pollution monitoring programs focus only on those chemical stressors for which regulatory benchmarks exist, and have been traditionally considered responsible for the most significant human and environmental health risks. Until the late 1990s, the San Francisco Estuary Regional Monitoring Program was no exception in that regard. After a thorough external review, the monitoring program responded to the need for developing a pro-active surveillance approach for emerging pollutants in recognition of the fact that the potential for the growing list of widely used chemical compounds to alter the integrity of water is high. We describe (1) the scientific and analytical bases underlying a new surveillance monitoring approach; (2) summarize approaches used and results obtained from a forensic retrospective; (3) present the growing data set on emerging pollutants from surveillance monitoring and related efforts in the San Francisco Bay Area to characterize newly targeted compounds in wastewater streams, sediment, storm water runoff, and biota; and (4) suggest next steps in monitoring program development and applied research that could move beyond traditional approaches of pollutant characterization. Based on the forensic analysis of archived chromatograms and chemical and toxicological properties of candidate compounds, we quantified a variety of synthetic organic compounds which had previously not been targeted for analysis. Flame retardant compounds, pesticides and insecticide synergists, insect repellents, pharmaceuticals, personal care product ingredients, plasticizers, non-ionic surfactants, and other manufacturing ingredients were detected in water, sediment, and/or biological tissue samples. Several of these compounds, especially polybrominated diphenyl ether flame retardants, exhibited concentrations of environmental concern. We also describe environmental management challenges associated with emerging pollutants and how pro-active surveillance monitoring might assist in implementing a more holistic approach to pollution prevention and control before emerging pollutants become a burden on future generations.

Advanced Technology: It's Available at JPL

NASA Technical Reports Server (NTRS)

Edberg, James R.

1996-01-01

Non-NASA activities at JPL are the province of the JPL Technology and Applications Programs Directorate, and include working relationships with industry, academia, and other government agencies. Within this Directorate, the JPL Undersea Technology Program endeavors to apply and transfer these capabilities to the area of underwater research and operations. Of particular interest may be a Reversed Electron Attachment Detector (READ). It is a man-portable device capabable of unambiguous detection of unique chemical signatures associated with mines. In addition, there are other JPL technologies which merit investigation for marine applications.

Research in the chemical sciences. Summaries of FY 1995

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1995-09-01

This summary book is published annually to provide information on research supported by the Department of Energy`s Division of Chemical Sciences, which is one of four Divisions of the Office of Basic Energy Sciences in the Office of Energy Research. These summaries provide the scientific and technical public, as well as the legislative and executive branches of the Government, information, either generally or in some depth, about the Chemical Sciences program. Scientists interested in proposing research for support will find the publication useful for gauging the scope of the present basic research program and it`s relationship to their interests. Proposalsmore » that expand this scope may also be considered or directed to more appropriate offices. The primary goal of the research summarized here is to add significantly to the knowledge base in which existing and future efficient and safe energy technologies can evolve. As a result, scientific excellence is a major criterion applied in the selection of research supported by the Division of Chemical Sciences, but another important consideration is emphasis on science that is advancing in ways that will produce new information related to energy.« less

Innovations Applied to the Classroom for Involuntary Groups: Implications for Social Work Education

ERIC Educational Resources Information Center

Chovanec, Michael

2008-01-01

There is an increasing demand for social work students to be prepared to work with a wide range of involuntary groups including the more traditional court-ordered programs in domestic abuse and chemical dependency, as well as groups in mental health and schools that provide outreach to high-risk client populations. This paper introduces three…

Proceedings of the Annual Meeting of the Association for Education in Journalism and Mass Communication (84th, Washington, DC, August 5-8, 2001). Science Communication Interest Group.

ERIC Educational Resources Information Center

Association for Education in Journalism and Mass Communication.

The Science Communication Interest Group section of the proceedings contains the following 6 selected papers: "The Internet and the Environmental Protection Agency: Public Access to Toxic Chemical Off-Site Consequence Information" (James F. Carstens); "Motivations To Participate in Riparian Improvement Programs: Applying the Theory…

FastChem: A computer program for efficient complex chemical equilibrium calculations in the neutral/ionized gas phase with applications to stellar and planetary atmospheres

NASA Astrophysics Data System (ADS)

Stock, Joachim W.; Kitzmann, Daniel; Patzer, A. Beate C.; Sedlmayr, Erwin

2018-06-01

For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled nonlinear (and linear) algebraic equations, namely the law of mass action and the element conservation equations including charge balance, in many variables. Specifically, the system of equations is decomposed into a set of coupled nonlinear equations in one variable each, which are solved analytically whenever feasible to reduce computation time. Notably, the electron density is determined by using the method of Nelder and Mead at low temperatures. The program is written in object-oriented C++ which makes it easy to couple the code with other programs, although a stand-alone version is provided. FastChem can be used in parallel or sequentially and is available under the GNU General Public License version 3 at https://github.com/exoclime/FastChem together with several sample applications. The code has been successfully validated against previous studies and its convergence behavior has been tested even for extreme physical parameter ranges down to 100 K and up to 1000 bar. FastChem converges stable and robust in even most demanding chemical situations, which posed sometimes extreme challenges for previous algorithms.

Survey of rural, private wells. Statistical design

USGS Publications Warehouse

Mehnert, Edward; Schock, Susan C.; ,

1991-01-01

Half of Illinois' 38 million acres were planted in corn and soybeans in 1988. On the 19 million acres planted in corn and soybeans, approximately 1 million tons of nitrogen fertilizer and 50 million pounds of pesticides were applied. Because groundwater is the water supply for over 90 percent of rural Illinois, the occurrence of agricultural chemicals in groundwater in Illinois is of interest to the agricultural community, the public, and regulatory agencies. The occurrence of agricultural chemicals in groundwater is well documented. However, the extent of this contamination still needs to be defined. This can be done by randomly sampling wells across a geographic area. Key elements of a random, water-well sampling program for regional groundwater quality include the overall statistical design of the program, definition of the sample population, selection of wells to be sampled, and analysis of survey results. These elements must be consistent with the purpose for conducting the program; otherwise, the program will not provide the desired information. The need to carefully design and conduct a sampling program becomes readily apparent when one considers the high cost of collecting and analyzing a sample. For a random sampling program conducted in Illinois, the key elements, as well as the limitations imposed by available information, are described.

Computational Toxicology as Implemented by the US EPA ...

EPA Pesticide Factsheets

Computational toxicology is the application of mathematical and computer models to help assess chemical hazards and risks to human health and the environment. Supported by advances in informatics, high-throughput screening (HTS) technologies, and systems biology, the U.S. Environmental Protection Agency EPA is developing robust and flexible computational tools that can be applied to the thousands of chemicals in commerce, and contaminant mixtures found in air, water, and hazardous-waste sites. The Office of Research and Development (ORD) Computational Toxicology Research Program (CTRP) is composed of three main elements. The largest component is the National Center for Computational Toxicology (NCCT), which was established in 2005 to coordinate research on chemical screening and prioritization, informatics, and systems modeling. The second element consists of related activities in the National Health and Environmental Effects Research Laboratory (NHEERL) and the National Exposure Research Laboratory (NERL). The third and final component consists of academic centers working on various aspects of computational toxicology and funded by the U.S. EPA Science to Achieve Results (STAR) program. Together these elements form the key components in the implementation of both the initial strategy, A Framework for a Computational Toxicology Research Program (U.S. EPA, 2003), and the newly released The U.S. Environmental Protection Agency's Strategic Plan for Evaluating the T

Community and species-specific responses of wild bees to insect pest control programs applied to a pollinator-dependent crop.

PubMed

Tuell, Julianna K; Isaacs, Rufus

2010-06-01

Wild bee conservation is regarded as essential for sustainable production of pollinator-dependent crops, yet little is known about the effects on wild bee communities of typical insect pest management programs used postbloom. We developed an insecticide program risk (IPR) index to quantify the relative risk to wild bees of insecticide programs applied to blueberry fields. This was used to determine the relationship between IPR and the abundance, diversity, and richness of wild bee communities sampled during three successive flowering seasons. In 2 of 3 yr, bee abundance and species richness declined with increasing IPR. Bee diversity declined with IPR in one of 3 yr. These results indicate that wild bee communities are negatively affected by increasingly intensive chemical pest management activities in crop fields and that interyear variability in bee populations has the potential to mask such effects in short-term studies. When several wild bee species were analyzed separately, two of three solitary and one of three social blueberry-foraging species declined with increasing IPR values, suggesting that different life histories and nesting habits may help some bee populations escape the negative effects of insecticides applied after bloom. Pollinator conservation programs aimed strictly at reducing insecticide use may have varying success, depending on the biology of the target bee species. The IPR index provides a standard method to compare pest management programs for their potential effect on wild bee communities, with broad application for use in other agricultural systems.

Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge.

PubMed

Gaspar, Héléna A; Baskin, Igor I; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

2015-01-26

This paper is devoted to the analysis and visualization in 2-dimensional space of large data sets of millions of compounds using the incremental version of generative topographic mapping (iGTM). The iGTM algorithm implemented in the in-house ISIDA-GTM program was applied to a database of more than 2 million compounds combining data sets of 36 chemicals suppliers and the NCI collection, encoded either by MOE descriptors or by MACCS keys. Taking advantage of the probabilistic nature of GTM, several approaches to data analysis were proposed. The chemical space coverage was evaluated using the normalized Shannon entropy. Different views of the data (property landscapes) were obtained by mapping various physical and chemical properties (molecular weight, aqueous solubility, LogP, etc.) onto the iGTM map. The superposition of these views helped to identify the regions in the chemical space populated by compounds with desirable physicochemical profiles and the suppliers providing them. The data sets similarity in the latent space was assessed by applying several metrics (Euclidean distance, Tanimoto and Bhattacharyya coefficients) to data probability distributions based on cumulated responsibility vectors. As a complementary approach, data sets were compared by considering them as individual objects on a meta-GTM map, built on cumulated responsibility vectors or property landscapes produced with iGTM. We believe that the iGTM methodology described in this article represents a fast and reliable way to analyze and visualize large chemical databases.

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database.

PubMed

Quirós, Miguel; Gražulis, Saulius; Girdzijauskaitė, Saulė; Merkys, Andrius; Vaitkus, Antanas

2018-05-18

Computer descriptions of chemical molecular connectivity are necessary for searching chemical databases and for predicting chemical properties from molecular structure. In this article, the ongoing work to describe the chemical connectivity of entries contained in the Crystallography Open Database (COD) in SMILES format is reported. This collection of SMILES is publicly available for chemical (substructure) search or for any other purpose on an open-access basis, as is the COD itself. The conventions that have been followed for the representation of compounds that do not fit into the valence bond theory are outlined for the most frequently found cases. The procedure for getting the SMILES out of the CIF files starts with checking whether the atoms in the asymmetric unit are a chemically acceptable image of the compound. When they are not (molecule in a symmetry element, disorder, polymeric species,etc.), the previously published cif_molecule program is used to get such image in many cases. The program package Open Babel is then applied to get SMILES strings from the CIF files (either those directly taken from the COD or those produced by cif_molecule when applicable). The results are then checked and/or fixed by a human editor, in a computer-aided task that at present still consumes a great deal of human time. Even if the procedure still needs to be improved to make it more automatic (and hence faster), it has already yielded more than 160,000 curated chemical structures and the purpose of this article is to announce the existence of this work to the chemical community as well as to spread the use of its results.

40 CFR 125.86 - As an owner or operator of a new facility, what must I collect and submit when I apply for my new...

Code of Federal Regulations, 2010 CFR

2010-07-01

... additional chemical, water quality, and other anthropogenic stresses on the source waterbody. (B) Evaluation... 125.86 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS CRITERIA... Cooling Water Intake Structures for New Facilities Under Section 316(b) of the Act § 125.86 As an owner or...

40 CFR 125.86 - As an owner or operator of a new facility, what must I collect and submit when I apply for my new...

Code of Federal Regulations, 2011 CFR

2011-07-01

... additional chemical, water quality, and other anthropogenic stresses on the source waterbody. (B) Evaluation... 125.86 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS CRITERIA... Cooling Water Intake Structures for New Facilities Under Section 316(b) of the Act § 125.86 As an owner or...

CHAP III- CHARRING ABLATOR PROGRAM FOR ADVANCED INVESTIGATION OF THERMAL PROTECTION SYSTEMS FOR ENTRY

NASA Technical Reports Server (NTRS)

Stroud, C. W.

1994-01-01

The transient response of a thermal protection material to heat applied to the surface can be calculated using the CHAP III computer program. CHAP III can be used to analyze pyrolysis gas chemical kinetics in detail and examine pyrolysis reactions-indepth. The analysis includes the deposition of solid products produced by chemical reactions in the gas phase. CHAP III uses a modelling technique which can approximate a wide range of ablation problems. The energy equation used in CHAP III incorporates pyrolysis (both solid and gas reactions), convection, conduction, storage, work, kinetic energy, and viscous dissipation. The chemically reacting components of the solid are allowed to vary as a function of position and time. CHAP III employs a finite difference method to approximate the energy equations. Input values include specific heat, thermal conductivity, thermocouple locations, enthalpy, heating rates, and a description of the chemical reactions expected. The output tabulates the temperature at locations throughout the ablator, gas flow within the solid, density of the solid, weight of pyrolysis gases, and rate of carbon deposition. A sample case is included, which analyzes an ablator material containing several pyrolysis reactions subjected to an environment typical of entry at lunar return velocity. CHAP III is written in FORTRAN IV for batch execution and has been implemented on a CDC CYBER 170 series computer operating under NOS with a central memory requirement of approximately 102K (octal) of 60 bit words. This program was developed in 1985.

Model-based optimal design of experiments - semidefinite and nonlinear programming formulations

PubMed Central

Duarte, Belmiro P.M.; Wong, Weng Kee; Oliveira, Nuno M.C.

2015-01-01

We use mathematical programming tools, such as Semidefinite Programming (SDP) and Nonlinear Programming (NLP)-based formulations to find optimal designs for models used in chemistry and chemical engineering. In particular, we employ local design-based setups in linear models and a Bayesian setup in nonlinear models to find optimal designs. In the latter case, Gaussian Quadrature Formulas (GQFs) are used to evaluate the optimality criterion averaged over the prior distribution for the model parameters. Mathematical programming techniques are then applied to solve the optimization problems. Because such methods require the design space be discretized, we also evaluate the impact of the discretization scheme on the generated design. We demonstrate the techniques for finding D–, A– and E–optimal designs using design problems in biochemical engineering and show the method can also be directly applied to tackle additional issues, such as heteroscedasticity in the model. Our results show that the NLP formulation produces highly efficient D–optimal designs but is computationally less efficient than that required for the SDP formulation. The efficiencies of the generated designs from the two methods are generally very close and so we recommend the SDP formulation in practice. PMID:26949279

Model-based optimal design of experiments - semidefinite and nonlinear programming formulations.

PubMed

Duarte, Belmiro P M; Wong, Weng Kee; Oliveira, Nuno M C

2016-02-15

We use mathematical programming tools, such as Semidefinite Programming (SDP) and Nonlinear Programming (NLP)-based formulations to find optimal designs for models used in chemistry and chemical engineering. In particular, we employ local design-based setups in linear models and a Bayesian setup in nonlinear models to find optimal designs. In the latter case, Gaussian Quadrature Formulas (GQFs) are used to evaluate the optimality criterion averaged over the prior distribution for the model parameters. Mathematical programming techniques are then applied to solve the optimization problems. Because such methods require the design space be discretized, we also evaluate the impact of the discretization scheme on the generated design. We demonstrate the techniques for finding D -, A - and E -optimal designs using design problems in biochemical engineering and show the method can also be directly applied to tackle additional issues, such as heteroscedasticity in the model. Our results show that the NLP formulation produces highly efficient D -optimal designs but is computationally less efficient than that required for the SDP formulation. The efficiencies of the generated designs from the two methods are generally very close and so we recommend the SDP formulation in practice.

Introducing Proper Chemical Hygiene and Safety in the General Chemistry Curriculum

NASA Astrophysics Data System (ADS)

Miller, Gordon J.; Heideman, Stephen A.; Greenbowe, Thomas J.

2000-09-01

Chemical safety is an important component of science education for everyone, not just for chemistry majors. Developing a responsible and knowledgeable attitude towards chemical safety best starts at the early stages of a student's career. In many colleges and universities, safety education in undergraduate chemistry has been relegated primarily to a few regulatory documents at the beginning of a laboratory course, or an occasional warning in the description of a specific experiment in a prelaboratory lecture. Safety issues are seldom raised in general chemistry or organic chemistry lecture-based chemistry courses. At Iowa State University we have begun to implement a program, Chemical Hygiene and Safety in the Laboratory, into the undergraduate chemistry curriculum. This program is designed to increase the awareness and knowledge of proper chemical hygiene and laboratory safety issues among all students taking general chemistry and organic chemistry courses. Laboratory protocol, use of safety equipment, familiarity with MSD sheets, basics of first aid, some specific terminology surrounding chemical hygiene, EPA and OSHA requirements, and the use of the World Wide Web to search and locate chemical safety information are topics that are applied throughout the chemistry curriculum. The novelty of this approach is to incorporate MSD sheets and safety information that can be located on the World Wide Web in a series of safety problems and assignments, all related to the chemistry experiments students are about to perform. The fundamental idea of our approach is not only to teach students what is required for appropriate safety measures, but also to involve them in the enforcement of basic prudent practices.

Theoretical research program to study chemical reactions in AOTV bow shock tubes

NASA Technical Reports Server (NTRS)

Taylor, Peter R.

1993-01-01

The main focus was the development, implementation, and calibration of methods for performing molecular electronic structure calculations to high accuracy. These various methods were then applied to a number of chemical reactions and species of interest to NASA, notably in the area of combustion chemistry. Among the development work undertaken was a collaborative effort to develop a program to efficiently predict molecular structures and vibrational frequencies using energy derivatives. Another major development effort involved the design of new atomic basis sets for use in chemical studies: these sets were considerably more accurate than those previously in use. Much effort was also devoted to calibrating methods for computing accurate molecular wave functions, including the first reliable calibrations for realistic molecules using full CI results. A wide variety of application calculations were undertaken. One area of interest was the spectroscopy and thermochemistry of small molecules, including establishing small molecule binding energies to an accuracy rivaling, or even on occasion surpassing, the experiment. Such binding energies are essential input to modeling chemical reaction processes, such as combustion. Studies of large molecules and processes important in both hydrogen and hydrocarbon combustion chemistry were also carried out. Finally, some effort was devoted to the structure and spectroscopy of small metal clusters, with applications to materials science problems.

Examples of successful pollution prevention programs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Natan, T.E. Jr.

1995-09-01

Motivation for implementing a pollution prevention program can come from many sources: federal, state, or local mandates; community involvement; cost analyses; or companies` own desires for superior environmental management. However, the decision to apply pollution prevention techniques is often part of a larger process of reducing environmental releases and transfers of toxic chemicals. When corporations are given the opportunity to choose pollution prevention as a part of total environmental management, the result can be an extremely successful program. The US Environmental Protection Agency`s (EPA`s) 33/50 program, begun in 1991, provides an example of a diverse population of companies in variousmore » industries creating pollution prevention opportunities in response to an invitation to reduce their environmental releases and transfers of 17 priority chemicals 33% by 1992 and 50% by 1995, using 1988 Toxic Release Inventory (TRI) data as a baseline. This chapter profiles three companies participating in the 33/50 Program that have provided details of interesting and successful pollution prevention programs resulting in varying degrees of reduction of environmental releases and transfers. The companies, Grumman Corporation of Bethpage, New York; Panel Processing of Alpena, Michigan; and Avondale Industries of New Orleans, Louisiana, were chosen for the range of industries represented: manufacture of transportation equipment, coating and lamination of wood products, and shipbuilding. Examples of other interesting pollution prevention plans will also be discussed.« less

Chemical Peel

MedlinePlus

... chemical peel: Your doctor will use a brush, cotton ball, gauze or sponge to apply a chemical ... medium chemical peel: Your doctor will use a cotton-tipped applicator or gauze to apply a chemical ...

46 CFR 16.205 - Implementation of chemical testing programs.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 1 2010-10-01 2010-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-545) will review the employer's chemical testing...

46 CFR 16.205 - Implementation of chemical testing programs.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 1 2011-10-01 2011-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-545) will review the employer's chemical testing...

46 CFR 16.205 - Implementation of chemical testing programs.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 1 2013-10-01 2013-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-INV) will review the employer's chemical testing...

46 CFR 16.205 - Implementation of chemical testing programs.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 1 2014-10-01 2014-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-INV) will review the employer's chemical testing...

46 CFR 16.205 - Implementation of chemical testing programs.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 1 2012-10-01 2012-10-01 false Implementation of chemical testing programs. 16.205... CHEMICAL TESTING Required Chemical Testing § 16.205 Implementation of chemical testing programs. (a) When a...) Upon written request of an employer, Commandant (CG-INV) will review the employer's chemical testing...

Modelling and scale-up of chemical flooding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pope, G.A.; Lake, L.W.; Sepehrnoori, K.

1990-03-01

The objective of this research is to develop, validate, and apply a comprehensive chemical flooding simulator for chemical recovery processes involving surfactants, polymers, and alkaline chemicals in various combinations. This integrated program includes components of laboratory experiments, physical property modelling, scale-up theory, and numerical analysis as necessary and integral components of the simulation activity. We have continued to develop, test, and apply our chemical flooding simulator (UTCHEM) to a wide variety of laboratory and reservoir problems involving tracers, polymers, polymer gels, surfactants, and alkaline agents. Part I is an update on the Application of Higher-Order Methods in Chemical Flooding Simulation.more » This update focuses on the comparison of grid orientation effects for four different numerical methods implemented in UTCHEM. Part II is on Simulation Design Studies and is a continuation of Saad's Big Muddy surfactant pilot simulation study reported last year. Part III reports on the Simulation of Gravity Effects under conditions similar to those of some of the oil reservoirs in the North Sea. Part IV is on Determining Oil Saturation from Interwell Tracers UTCHEM is used for large-scale interwell tracer tests. A systematic procedure for estimating oil saturation from interwell tracer data is developed and a specific example based on the actual field data provided by Sun E P Co. is given. Part V reports on the Application of Vectorization and Microtasking for Reservoir Simulation. Part VI reports on Alkaline Simulation. The alkaline/surfactant/polymer flood compositional simulator (UTCHEM) reported last year is further extended to include reactions involving chemical species containing magnesium, aluminium and silicon as constituent elements. Part VII reports on permeability and trapping of microemulsion.« less

Multi-modal Aedes aegypti mosquito reduction interventions and dengue fever prevention.

PubMed

Ballenger-Browning, Kara K; Elder, John P

2009-12-01

To systematically review the effectiveness of biological, chemical and educational dengue fever prevention programs on the reduction of entomologic indicators. Searches of PubMed, GoogleScholar, CabDirect databases and reference lists yielded over 1000 articles containing mosquito abatement interventions. Inclusion criteria were: Vector control programs targeting Aedes aegypti and Aedes albopictus mosquitoes; Studies providing pre- and post-test data. Intervention effectiveness was assessed using Mulla's formula to determine percent reductions for all studies with control groups. Twenty-one studies were reviewed. Twelve dependent variables were presented, however, the Breteau, House and Container indices were the primary measurement tools for monitoring larval populations. Behavioural methods consisting of educational campaigns and maintaining water containers to reduce the mosquito population were applied in eight studies. Eight studies involved the use of biological methods such as predatory organisms or bacteria. Finally, eight studies used chemical control techniques including insecticide sprays, larvicides, insecticide-treated materials, and cleaning water of containers with household chemicals with three studies using a combination of intervention techniques. Post-intervention reduction in entomologic indices ranged from 100% to an increase of 13.9% from baseline. Little evidence exists to support the efficacy of mosquito abatement programs owing to poor study designs and lack of congruent entomologic indices. Creation of a standard entomological index, use of clustered and randomized-controlled trials, and testing the generalizability of proven methods are recommended for future research.

The Caltech Concurrent Computation Program - Project description

NASA Technical Reports Server (NTRS)

Fox, G.; Otto, S.; Lyzenga, G.; Rogstad, D.

1985-01-01

The Caltech Concurrent Computation Program wwhich studies basic issues in computational science is described. The research builds on initial work where novel concurrent hardware, the necessary systems software to use it and twenty significant scientific implementations running on the initial 32, 64, and 128 node hypercube machines have been constructed. A major goal of the program will be to extend this work into new disciplines and more complex algorithms including general packages that decompose arbitrary problems in major application areas. New high-performance concurrent processors with up to 1024-nodes, over a gigabyte of memory and multigigaflop performance are being constructed. The implementations cover a wide range of problems in areas such as high energy and astrophysics, condensed matter, chemical reactions, plasma physics, applied mathematics, geophysics, simulation, CAD for VLSI, graphics and image processing. The products of the research program include the concurrent algorithms, hardware, systems software, and complete program implementations.

Mimicking subsecond neurotransmitter dynamics with femtosecond laser stimulated nanosystems.

PubMed

Nakano, Takashi; Chin, Catherine; Myint, David Mo Aung; Tan, Eng Wui; Hale, Peter John; Krishna M, Bala Murali; Reynolds, John N J; Wickens, Jeff; Dani, Keshav M

2014-06-23

Existing nanoscale chemical delivery systems target diseased cells over long, sustained periods of time, typically through one-time, destructive triggering. Future directions lie in the development of fast and robust techniques capable of reproducing the pulsatile chemical activity of living organisms, thereby allowing us to mimic biofunctionality. Here, we demonstrate that by applying programmed femtosecond laser pulses to robust, nanoscale liposome structures containing dopamine, we achieve sub-second, controlled release of dopamine--a key neurotransmitter of the central nervous system--thereby replicating its release profile in the brain. The fast delivery system provides a powerful new interface with neural circuits, and to the larger range of biological functions that operate on this short timescale.

ReacKnock: Identifying Reaction Deletion Strategies for Microbial Strain Optimization Based on Genome-Scale Metabolic Network

PubMed Central

Xu, Zixiang; Zheng, Ping; Sun, Jibin; Ma, Yanhe

2013-01-01

Gene knockout has been used as a common strategy to improve microbial strains for producing chemicals. Several algorithms are available to predict the target reactions to be deleted. Most of them apply mixed integer bi-level linear programming (MIBLP) based on metabolic networks, and use duality theory to transform bi-level optimization problem of large-scale MIBLP to single-level programming. However, the validity of the transformation was not proved. Solution of MIBLP depends on the structure of inner problem. If the inner problem is continuous, Karush-Kuhn-Tucker (KKT) method can be used to reformulate the MIBLP to a single-level one. We adopt KKT technique in our algorithm ReacKnock to attack the intractable problem of the solution of MIBLP, demonstrated with the genome-scale metabolic network model of E. coli for producing various chemicals such as succinate, ethanol, threonine and etc. Compared to the previous methods, our algorithm is fast, stable and reliable to find the optimal solutions for all the chemical products tested, and able to provide all the alternative deletion strategies which lead to the same industrial objective. PMID:24348984

Comparative analysis of two different models of swimming applied to pregnant rats born small for pregnant age.

PubMed

Corvino, Silvana B; Damasceno, Débora C; Sinzato, Yuri K; Netto, Aline O; Macedo, Nathália C D; Zambrano, Elena; Volpato, Gustavo T

2017-01-01

The aim of this study was to compare two models of swimming applied to pregnant rats born small for pregnancy age (SPA). Diabetes was chemically induced in adult female rats to develop an inadequate intrauterine environment, leading to birth of a SPA offspring. In adulthood, the female SPA rats were mated and submitted to different swimming programs. The exercise program 1 (Ex1) consisted of swimming for 15 minutes, followed by 15 minutes of rest and another 15 minutes of swimming, 3 days a week before and during pregnancy. Another program (Ex2) was applied during 60 minutes uninterrupted a day, 6 days/week during pregnancy. The pregnant rats presented no interference on body weight and glycemia. The rats submitted to Ex2 model showed decreased insulin and blood glucose levels by oral glucose tolerance test, and reduction in area under curve values. The offspring from dams submitted to both exercise protocols presented an increased rate of newborns SPA. However, the offspring from Ex2 dams showed percentage twice higher of newborns SPA than Ex1 offspring. Our data suggests that continuous exercise of 60 min/day ameliorated the enhanced peripheral insulin sensitivity in growth-restricted females. However, this protocol employed at pregnancy leads to intrauterine growth restriction.

Dryden Flight Research Center Chemical Pharmacy Program

NASA Technical Reports Server (NTRS)

Davis, Bette

1997-01-01

The Dryden Flight Research Center (DFRC) Chemical Pharmacy "Crib" is a chemical sharing system which loans chemicals to users, rather than issuing them or having each individual organization or group purchasing the chemicals. This cooperative system of sharing chemicals eliminates multiple ownership of the same chemicals and also eliminates stockpiles. Chemical management duties are eliminated for each of the participating organizations. The chemical storage issues, hazards and responsibilities are eliminated. The system also ensures safe storage of chemicals and proper disposal practices. The purpose of this program is to reduce the total releases and transfers of toxic chemicals. The initial cost of the program to DFRC was $585,000. A savings of $69,000 per year has been estimated for the Center. This savings includes the reduced costs in purchasing, disposal and chemical inventory/storage responsibilities. DFRC has chemicals stored in 47 buildings and at 289 locations. When the program is fully implemented throughout the Center, there will be three chemical locations at this facility. The benefits of this program are the elimination of chemical management duties; elimination of the hazard associated with chemical storage; elimination of stockpiles; assurance of safe storage; assurance of proper disposal practices; assurance of a safer workplace; and more accurate emissions reports.

Ring system-based chemical graph generation for de novo molecular design

NASA Astrophysics Data System (ADS)

Miyao, Tomoyuki; Kaneko, Hiromasa; Funatsu, Kimito

2016-05-01

Generating chemical graphs in silico by combining building blocks is important and fundamental in virtual combinatorial chemistry. A premise in this area is that generated structures should be irredundant as well as exhaustive. In this study, we develop structure generation algorithms regarding combining ring systems as well as atom fragments. The proposed algorithms consist of three parts. First, chemical structures are generated through a canonical construction path. During structure generation, ring systems can be treated as reduced graphs having fewer vertices than those in the original ones. Second, diversified structures are generated by a simple rule-based generation algorithm. Third, the number of structures to be generated can be estimated with adequate accuracy without actual exhaustive generation. The proposed algorithms were implemented in structure generator Molgilla. As a practical application, Molgilla generated chemical structures mimicking rosiglitazone in terms of a two dimensional pharmacophore pattern. The strength of the algorithms lies in simplicity and flexibility. Therefore, they may be applied to various computer programs regarding structure generation by combining building blocks.

Robotics crosscutting program: Technology summary

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

The Office of Environmental Management (EM) is responsible for cleaning up the legacy of radioactive and chemically hazardous waste at contaminated sites and facilities throughout the U.S. Department of Energy (DOE) nuclear weapons complex, preventing further environmental contamination, and instituting responsible environmental management. Initial efforts to achieve this mission resulted in the establishment of environmental restoration and waste management programs. However, as EM began to execute its responsibilities, decision makers became aware that the complexity and magnitude of this mission could not be achieved efficiently, affordably, safely, or reasonably with existing technology. Once the need for advanced cleanup technologies becamemore » evident, EM established an aggressive, innovative program of applied research and technology development. The Office of Technology Development (OTD) was established in November 1989 to advance new and improved environmental restoration and waste management technologies that would reduce risks to workers, the public, and the environment; reduce cleanup costs; and devise methods to correct cleanup problems that currently have no solutions. In 1996, OTD added two new responsibilities - management of a Congressionally mandated environmental science program and development of risk policy, requirements, and guidance. OTD was renamed the Office of Science and Technology (OST). This documents presents information concerning robotics tank waste retrieval overview, robotic chemical analysis automation, robotics decontamination and dismantlement, and robotics crosscutting and advanced technology.« less

Problem-based learning on quantitative analytical chemistry course

NASA Astrophysics Data System (ADS)

Fitri, Noor

2017-12-01

This research applies problem-based learning method on chemical quantitative analytical chemistry, so called as "Analytical Chemistry II" course, especially related to essential oil analysis. The learning outcomes of this course include aspects of understanding of lectures, the skills of applying course materials, and the ability to identify, formulate and solve chemical analysis problems. The role of study groups is quite important in improving students' learning ability and in completing independent tasks and group tasks. Thus, students are not only aware of the basic concepts of Analytical Chemistry II, but also able to understand and apply analytical concepts that have been studied to solve given analytical chemistry problems, and have the attitude and ability to work together to solve the problems. Based on the learning outcome, it can be concluded that the problem-based learning method in Analytical Chemistry II course has been proven to improve students' knowledge, skill, ability and attitude. Students are not only skilled at solving problems in analytical chemistry especially in essential oil analysis in accordance with local genius of Chemistry Department, Universitas Islam Indonesia, but also have skilled work with computer program and able to understand material and problem in English.

Translational Science for Energy and Beyond.

PubMed

McKone, James R; Crans, Debbie C; Martin, Cheryl; Turner, John; Duggal, Anil R; Gray, Harry B

2016-09-19

A clear challenge for the coming decades is decreasing the carbon intensity of the global energy supply while simultaneously accommodating a rapid worldwide increase in power demand. Meeting this challenge of providing abundant, clean energy undoubtedly requires synergistic efforts between basic and applied researchers in the chemical sciences to develop and deploy new technologies. Among the available options, solar energy is one of the promising targets because of the high abundance of solar photons over much of the globe. Similarly, decarbonization of the global energy supply will require clean sources of hydrogen to use as reducing equivalents for fuel and chemical feedstocks. In this report, we discuss the importance of translational research-defined as work that explicitly targets basic discovery as well as technology development-in the context of photovoltaics and solar fuels. We focus on three representative research programs encompassing translational research in government, industry, and academia. We then discuss more broadly the benefits and challenges of translational research models and offer recommendations for research programs that address societal challenges in the energy sector and beyond.

The AOP framework and causality: Meeting chemical risk ...

EPA Pesticide Factsheets

Chemical safety assessments are expanding from a focus on a few chemicals (or chemical mixtures) to the broader “universe” of thousands, if not hundreds of thousands of substances that potentially could impact humans or the environment. This is exemplified in regulatory activities such as the REACH program in Europe, or the recent reauthorization of TSCA in the US, which require consideration of the potential impacts of a much greater number of chemicals than in the past. The data needed to address these types of legislated mandates cannot realistically be obtained solely through using the whole animal testing approaches historically employed for chemical risk assessment. Rather, there needs to be an increased emphasis on cost-effective tools that enable robust prediction of potential chemical impacts when empirical data are lacking. Concurrent with the realization that predictive methods will need to play an increasingly prominent role in regulatory toxicology has been the recent explosion in technology in the biological sciences enabling collection of large amounts of pathway-based molecular and biochemical data. For example, genomic techniques and high-throughput (robotic-based) in vitro testing enable the generation of knowledge concerning the effects of chemical perturbation on biological systems in an increasingly efficient and rapid manner. However, a pressing need stemming from these technological advances is the ability to actually apply th

Evaluation of High-Throughput Chemical Exposure Models ...

EPA Pesticide Factsheets

The U.S. EPA, under its ExpoCast program, is developing high-throughput near-field modeling methods to estimate human chemical exposure and to provide real-world context to high-throughput screening (HTS) hazard data. These novel modeling methods include reverse methods to infer parent chemical exposures from biomonitoring measurements and forward models to predict multi-pathway exposures from chemical use information and/or residential media concentrations. Here, both forward and reverse modeling methods are used to characterize the relationship between matched near-field environmental (air and dust) and biomarker measurements. Indoor air, house dust, and urine samples from a sample of 120 females (aged 60 to 80 years) were analyzed. In the measured data, 78% of the residential media measurements (across 80 chemicals) and 54% of the urine measurements (across 21 chemicals) were censored, i.e. below the limit of quantification (LOQ). Because of the degree of censoring, we applied a Bayesian approach to impute censored values for 69 chemicals having at least 15% of measurements above LOQ. This resulted in 10 chemicals (5 phthalates, 5 pesticides) with matched air, dust, and urine metabolite measurements. The population medians of indoor air and dust concentrations were compared to population median exposures inferred from urine metabolites concentrations using a high-throughput reverse-dosimetry approach. Median air and dust concentrations were found to be correl

Engineering Design and Automation in the Applied Engineering Technologies (AET) Group at Los Alamos National Laboratory.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wantuck, P. J.; Hollen, R. M.

2002-01-01

This paper provides an overview of some design and automation-related projects ongoing within the Applied Engineering Technologies (AET) Group at Los Alamos National Laboratory. AET uses a diverse set of technical capabilities to develop and apply processes and technologies to applications for a variety of customers both internal and external to the Laboratory. The Advanced Recovery and Integrated Extraction System (ARIES) represents a new paradigm for the processing of nuclear material from retired weapon systems in an environment that seeks to minimize the radiation dose to workers. To achieve this goal, ARIES relies upon automation-based features to handle and processmore » the nuclear material. Our Chemical Process Development Team specializes in fuzzy logic and intelligent control systems. Neural network technology has been utilized in some advanced control systems developed by team members. Genetic algorithms and neural networks have often been applied for data analysis. Enterprise modeling, or discrete event simulation, as well as chemical process simulation has been employed for chemical process plant design. Fuel cell research and development has historically been an active effort within the AET organization. Under the principal sponsorship of the Department of Energy, the Fuel Cell Team is now focusing on technologies required to produce fuel cell compatible feed gas from reformation of a variety of conventional fuels (e.g., gasoline, natural gas), principally for automotive applications. This effort involves chemical reactor design and analysis, process modeling, catalyst analysis, as well as full scale system characterization and testing. The group's Automation and Robotics team has at its foundation many years of experience delivering automated and robotic systems for nuclear, analytical chemistry, and bioengineering applications. As an integrator of commercial systems and a developer of unique custom-made systems, the team currently supports the automation needs of many Laboratory programs.« less

High-Throughput Screening and Quantitative Chemical Ranking for Sodium-Iodide Symporter Inhibitors in ToxCast Phase I Chemical Library.

PubMed

Wang, Jun; Hallinger, Daniel R; Murr, Ashley S; Buckalew, Angela R; Simmons, Steven O; Laws, Susan C; Stoker, Tammy E

2018-05-01

Thyroid uptake of iodide via the sodium-iodide symporter (NIS) is the first step in the biosynthesis of thyroid hormones that are critical for health and development in humans and wildlife. Despite having long been a known target of endocrine disrupting chemicals such as perchlorate, information regarding NIS inhibition activity is still unavailable for the vast majority of environmental chemicals. This study applied a previously validated high-throughput approach to screen for NIS inhibitors in the ToxCast phase I library, representing 293 important environmental chemicals. Here 310 blinded samples were screened in a tiered-approach using an initial single-concentration (100 μM) radioactive-iodide uptake (RAIU) assay, followed by 169 samples further evaluated in multi-concentration (0.001 μM-100 μM) testing in parallel RAIU and cell viability assays. A novel chemical ranking system that incorporates multi-concentration RAIU and cytotoxicity responses was also developed as a standardized method for chemical prioritization in current and future screenings. Representative chemical responses and thyroid effects of high-ranking chemicals are further discussed. This study significantly expands current knowledge of NIS inhibition potential in environmental chemicals and provides critical support to U.S. EPA's Endocrine Disruptor Screening Program (EDSP) initiative to expand coverage of thyroid molecular targets, as well as the development of thyroid adverse outcome pathways (AOPs).

Chemical Stockpile Disposal Program. Transportation of Chemical Munitions at Reduced Temperature

DTIC Science & Technology

1987-08-01

ADA193346 Chemical Stockpile Disposal Program. Transportation of Chemical Munitions at Reduced Temperature. MITRE CORP MCLEAN VA AUG 1987...NO. ACCESSION NO. Aberdeen Proving Ground, fD 21010-5401 11. TITLE (Include Security Classification) Transportation of Chemical Munitions at Reducfd...Year, Month, Day) S. PAGE COUNT nal FROM TO Au USt 1987 65 16. SUPPLEMENTARY NOTATION Prepared for the Chemical Stockpile D’i sal Program Programmatic

Final Progress Report for Award DE-FG07-05ID14637.pdf

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cathy Dixon

2012-03-09

2004-2011 Final Report for AFCI University Fellowship Program. The goal of this effort was to be supportive of university students and university programs - particularly those students and programs that will help to strengthen the development of nuclear-related fields. The program also supported the stability of the nuclear infrastructure and developed research partnerships that are helping to enlarge the national nuclear science technology base. In this fellowship program, the U.S. Department of Energy sought master's degree students in nuclear, mechanical, or chemical engineering, engineering/applied physics, physics, chemistry, radiochemistry, or fields of science and engineering applicable to the AFCI/Gen IV/GNEP missionsmore » in order to meet future U.S. nuclear program needs. The fellowship program identified candidates and selected full time students of high-caliber who were taking nuclear courses as part of their degree programs. The DOE Academic Program Managers encouraged fellows to pursue summer internships at national laboratories and supported the students with appropriate information so that both the fellows and the nation's nuclear energy objectives were successful.« less

Concurrent Multidisciplinary Preliminary Assessment of Space Systems (COMPASS) Final Report: Advanced Long-Life Lander Investigating the Venus Environment (ALIVE)

NASA Technical Reports Server (NTRS)

Oleson, Steven R.

2018-01-01

The COncurrent Multidisciplinary Preliminary Assessment of Space Systems (COMPASS) Team partnered with the Applied Research Laboratory to perform a NASA Innovative Advanced Concepts (NIAC) Program study to evaluate chemical based power systems for keeping a Venus lander alive (power and cooling) and functional for a period of days. The mission class targeted was either a Discovery ($500M) or New Frontiers ($750M to $780M) class mission.

A Survey of Doctoral Programs in Chemical Education in the United States

NASA Astrophysics Data System (ADS)

Mason, Diana

2001-02-01

Employment opportunities are expanding in chemical education and chemical education research. Consequently, more students are seeking to further their education in chemistry by obtaining tertiary degrees in chemical education. At the Fall 2000 ACS Meeting in Washington, DC, DivCHED sponsored a symposium highlighting several doctoral programs in chemical education in the U.S. Included in this summary is the following information regarding each program: name of university, faculty contact(s), corresponding email addresses and URLs, and a brief description of the program.

The French human biomonitoring program: First lessons from the perinatal component and future needs.

PubMed

Dereumeaux, Clémentine; Fillol, Clémence; Charles, Marie-Aline; Denys, Sébastien

2017-03-01

This paper presents a progress report of the French human biomonitoring (HBM) program established in 2010. This program has been designed to provide a national representative estimation of the French population's exposure to various environmental chemicals and to study the determinants of exposure. This program currently consists in two surveys: a perinatal component related to a selection of 4145 pregnant women who have been enrolled in the Elfe cohort (the French Longitudinal Study since Childhood) in 2011, and a general population survey related to adults aged 18-74 years and children as from 6 years (Esteban). The aim of this manuscript is to present highlights of the French human biomonitoring program with particular focus on the prioritization of biomarkers to be analyzed in the program and the selection of biomarkers applied to both program components. The Delphi method was used to establish a consensual list of prioritized biomarkers in 2011. First results of the perinatal component of the French HBM program have shown that the biomarkers prioritized were relevant, as almost all pregnant women were exposed to them. However, for some biomarkers, levels' decreases have been observed which may partly be explained by measures taken to prohibit some of these chemicals (e.g. atrazine) and by industrial processes evolutions leading to the substitution of others (e.g. bisphenol A, di-2-ethylhexyl phthalate/DEHP, dialkyl phosphates). Therefore, the list of biomarkers to be monitored in the French HBM program has been implemented to include some substitutes of biomarkers prioritized in the first instance (e.g. bisphenol S, F). Finally, this method combines rigor and flexibility and helped us to build a prioritized list that will be shared and supported by many if not all actors. Copyright © 2016 Elsevier GmbH. All rights reserved.

Study of electrical and chemical propulsion systems for auxiliary propulsion of large space systems, volume 2

NASA Technical Reports Server (NTRS)

Smith, W. W.

1981-01-01

The five major tasks of the program are reported. Task 1 is a literature search followed by selection and definition of seven generic spacecraft classes. Task 2 covers the determination and description of important disturbance effects. Task 3 applies the disturbances to the generic spacecraft and adds maneuver and stationkeeping functions to define total auxiliary propulsion systems requirements for control. The important auxiliary propulsion system characteristics are identified and sensitivities to control functions and large space system characteristics determined. In Task 4, these sensitivities are quantified and the optimum auxiliary propulsion system characteristics determined. Task 5 compares the desired characteristics with those available for both electrical and chemical auxiliary propulsion systems to identify the directions technology advances should take.

Advanced development: Fuels

NASA Astrophysics Data System (ADS)

Ramohalli, K.

1981-05-01

The solar thermal fuels and chemicals program at Jet Propulsion Laboratory are described. High technology is developed and applied to displace fossil fuel (oil) use in the production/processing of valuable fuels and chemicals. The technical and economic feasibility is demonstrated to extent that enables the industry to participate and commercialize the product. A representative process, namely Furfural production with a bottoming of acetone, butanol and ethanol, is described. Experimental data from all solar production of furfural is discussed. Estimates are given to show the attractiveness of this process, considering its flexibility to be adaptable to dishes, troughs or central receivers. Peat, lignite and low rank coal processing, heavy oil stripping and innovative technologies for process diagnostics and control are mentioned as examples of current projects under intensive development.

Advanced development: Fuels

NASA Technical Reports Server (NTRS)

Ramohalli, K.

1981-01-01

The solar thermal fuels and chemicals program at Jet Propulsion Laboratory are described. High technology is developed and applied to displace fossil fuel (oil) use in the production/processing of valuable fuels and chemicals. The technical and economic feasibility is demonstrated to extent that enables the industry to participate and commercialize the product. A representative process, namely Furfural production with a bottoming of acetone, butanol and ethanol, is described. Experimental data from all solar production of furfural is discussed. Estimates are given to show the attractiveness of this process, considering its flexibility to be adaptable to dishes, troughs or central receivers. Peat, lignite and low rank coal processing, heavy oil stripping and innovative technologies for process diagnostics and control are mentioned as examples of current projects under intensive development.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vogt, B.M.; Sorensen, J.H.

The CSEPP (Chemical Stockpile Emergency Preparedness Program) was created to improve emergency planning and response capabilities at the eight sites around the country that store chemical weapons. These weapons are scheduled to be destroyed in the near future. In preparation of the Draft Programmatic Environmental Impact Statement (DPEIS) for the Chemical Stockpile Disposal Program (CSDP), it was proposed that the Army mitigate accidents through an enhanced community emergency preparedness program at the eight storage sites. In 1986, the Army initiated the development of an Emergency Response Concept Plan (ERCP) for the CSDP, one of 12 technical support studies conducted duringmore » preparation of the Final Programmatic Environmental Impact Statement (FPEIS). The purpose of this document is to provide a fairly comprehensive source book on risk, risk management, risk communication research and recommended risk communication practices. It does not merely summarize each publication in the risk communication literature, but attempts to synthesize them along the lines of a set of organizing principles. Furthermore, it is not intended to duplicate other guidance manuals (such as Covello et al.`s manual on risk comparison). The source book was developed for the CSEPP in support of the training module on risk communications. Although the examples provided are specific to CSEPP, its use goes beyond that of CSEPP as the findings apply to a broad spectrum of risk communication topics. While the emphasis is on communication in emergency preparedness and response specific to the CSEPP, the materials cover other non-emergency communication settings. 329 refs.« less

Integrated Risk Index of Chemical Aquatic Pollution (IRICAP): case studies in Iberian rivers.

PubMed

Fàbrega, Francesc; Marquès, Montse; Ginebreda, Antoni; Kuzmanovic, Maja; Barceló, Damià; Schuhmacher, Marta; Domingo, José L; Nadal, Martí

2013-12-15

The hazard of chemical compounds can be prioritized according to their PBT (persistence, bioaccumulation, toxicity) properties by using Self-Organizing Maps (SOM). The objective of the present study was to develop an Integrated Risk Index of Chemical Aquatic Pollution (IRICAP), useful to evaluate the risk associated to the exposure of chemical mixtures contained in river waters. Four Spanish river basins were considered as case-studies: Llobregat, Ebro, Jucar and Guadalquivir. A SOM-based hazard index (HI) was estimated for 205 organic compounds. IRICAP was calculated as the product of the HI by the concentration of each pollutant, and the results of all substances were aggregated. Finally, Pareto distribution was applied to the ranked lists of compounds in each site to prioritize those chemicals with the most significant incidence on the IRICAP. According to the HI outcomes, perfluoroalkyl substances, as well as specific illicit drugs and UV filters, were among the most hazardous compounds. Xylazine was identified as one of the chemicals with the highest contribution to the total IRICAP value in the different river basins, together with other pharmaceutical products such as loratadine and azaperol. These organic compounds should be proposed as target chemicals in the implementation of monitoring programs by regulatory organizations. Copyright © 2013 Elsevier B.V. All rights reserved.

SHEDS-HT: An Integrated Probabilistic Exposure Model for ...

EPA Pesticide Factsheets

United States Environmental Protection Agency (USEPA) researchers are developing a strategy for highthroughput (HT) exposure-based prioritization of chemicals under the ExpoCast program. These novel modeling approaches for evaluating chemicals based on their potential for biologically relevant human exposures will inform toxicity testing and prioritization for chemical risk assessment. Based on probabilistic methods and algorithms developed for The Stochastic Human Exposure and Dose Simulation Model for Multimedia, Multipathway Chemicals (SHEDS-MM), a new mechanistic modeling approach has been developed to accommodate high-throughput (HT) assessment of exposure potential. In this SHEDS-HT model, the residential and dietary modules of SHEDS-MM have been operationally modified to reduce the user burden, input data demands, and run times of the higher-tier model, while maintaining critical features and inputs that influence exposure. The model has been implemented in R; the modeling framework links chemicals to consumer product categories or food groups (and thus exposure scenarios) to predict HT exposures and intake doses. Initially, SHEDS-HT has been applied to 2507 organic chemicals associated with consumer products and agricultural pesticides. These evaluations employ data from recent USEPA efforts to characterize usage (prevalence, frequency, and magnitude), chemical composition, and exposure scenarios for a wide range of consumer products. In modeling indirec

Do Training Programs Work? An Assessment of Pharmacists Activities in the Field of Chemical Dependency.

ERIC Educational Resources Information Center

Brooks, Valerie G.; Brock, Tina Penick; Ahn, Jungeun

2001-01-01

Seeks to determine if pharmacists who attended a chemical dependency training program were performing more chemical dependency related activities. Results reveal that participants were more likely to perform the following activities: lecture to community groups about chemical dependency; participate in a pharmacists' recovery program; provide…

15 CFR 712.1 - Round to zero rule that applies to activities involving Schedule 1 chemicals.

Code of Federal Regulations, 2011 CFR

2011-01-01

... CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING SCHEDULE 1 CHEMICALS § 712.1 Round to zero rule that applies to activities involving Schedule 1 chemicals. Facilities that produce, export or... activities involving Schedule 1 chemicals. 712.1 Section 712.1 Commerce and Foreign Trade Regulations...

Prediction of rodent carcinogenicity bioassays from molecular structure using inductive logic programming

DOE Office of Scientific and Technical Information (OSTI.GOV)

King, R.D.; Srinivasan, A.

1996-10-01

The machine learning program Progol was applied to the problem of forming the structure-activity relationship (SAR) for a set of compounds tested for carcinogenicity in rodent bioassays by the U.S. National Toxicology Program (NTP). Progol is the first inductive logic programming (ILP) algorithm to use a fully relational method for describing chemical structure in SARs, based on using atoms and their bond connectivities. Progol is well suited to forming SARs for carcinogenicity as it is designed to produce easily understandable rules (structural alerts) for sets of noncongeneric compounds. The Progol SAR method was tested by prediction of a set ofmore » compounds that have been widely predicted by other SAR methods (the compounds used in the NTP`s first round of carcinogenesis predictions). For these compounds no method (human or machine) was significantly more accurate than Progol. Progol was the most accurate method that did not use data from biological tests on rodents (however, the difference in accuracy is not significant). The Progol predictions were based solely on chemical structure and the results of tests for Salmonella mutagenicity. Using the full NTP database, the prediction accuracy of Progol was estimated to be 63% ({+-}3%) using 5-fold cross validation. A set of structural alerts for carcinogenesis was automatically generated and the chemical rationale for them investigated-these structural alerts are statistically independent of the Salmonella mutagenicity. Carcinogenicity is predicted for the compounds used in the NTP`s second round of carcinogenesis predictions. The results for prediction of carcinogenesis, taken together with the previous successful applications of predicting mutagenicity in nitroaromatic compounds, and inhibition of angiogenesis by suramin analogues, show that Progol has a role to play in understanding the SARs of cancer-related compounds. 29 refs., 2 figs., 4 tabs.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

none

This report is the first quarterly report under Contract AT(30-1)-2528 for the decontamination and recovery of precious metals from contaminated scrap. This program encompasses the recovery of gold, platinum, iridium, rhodium and palladium from scrap and contaminated laboratory ware, equipment, etc. which may be contaminated by alpha emitters (i.e., uranium, plutonium and possibly polonium or combinations of these), beta-gamma emitters such as fission products or all three sources of radiation. In addition the scrap can be chemically contaminated by base metals, graphite or other contaminants. Osmium, ruthenium or silver are not to be recovered. Since the scrap can exist inmore » such a great variety of forms such as platinum-rhodium laboratory crucibles, graphite crucibles containing platinum-base metal alloys derived from vacuum fusion baths, insulated thermocouple wires, reactor liners, porous platinum filters, alloys such as Baker alloy 413 (60 Au, 25 Pd, 15 Pt) it may be necessary to devise specific methods for a given type of scrap. Nevertheless the basic chemistry is the same and information and methods applicable to single systems will apply directly to the more complicated ones. Accordingly the relatively simple systems would be investigated first and the more complicated ones later in the program. An essential and major contribution to the success of the program is to devise or adapt accurate and precise analytical chemical techniques for scrap identification, process control, purity of the final products and accountability control. Accordingly, the emphasis on chemical analysis will be proportionally greater during the early stages of the program. The residual activity level to be attained is presently stated at twice the standard deviation obtained in low background counters (alpha {approx}0.1 c/m, beta {approx} 5 c/m) of virgin platinum.« less

LOGISTIC FUNCTION PROFILE FIT: A least-squares program for fitting interface profiles to an extended logistic function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kirchhoff, William H.

2012-09-15

The extended logistic function provides a physically reasonable description of interfaces such as depth profiles or line scans of surface topological or compositional features. It describes these interfaces with the minimum number of parameters, namely, position, width, and asymmetry. Logistic Function Profile Fit (LFPF) is a robust, least-squares fitting program in which the nonlinear extended logistic function is linearized by a Taylor series expansion (equivalent to a Newton-Raphson approach) with no apparent introduction of bias in the analysis. The program provides reliable confidence limits for the parameters when systematic errors are minimal and provides a display of the residuals frommore » the fit for the detection of systematic errors. The program will aid researchers in applying ASTM E1636-10, 'Standard practice for analytically describing sputter-depth-profile and linescan-profile data by an extended logistic function,' and may also prove useful in applying ISO 18516: 2006, 'Surface chemical analysis-Auger electron spectroscopy and x-ray photoelectron spectroscopy-determination of lateral resolution.' Examples are given of LFPF fits to a secondary ion mass spectrometry depth profile, an Auger surface line scan, and synthetic data generated to exhibit known systematic errors for examining the significance of such errors to the extrapolation of partial profiles.« less

Computational Toxicology at the US EPA | Science Inventory ...

EPA Pesticide Factsheets

Computational toxicology is the application of mathematical and computer models to help assess chemical hazards and risks to human health and the environment. Supported by advances in informatics, high-throughput screening (HTS) technologies, and systems biology, EPA is developing robust and flexible computational tools that can be applied to the thousands of chemicals in commerce, and contaminant mixtures found in America’s air, water, and hazardous-waste sites. The ORD Computational Toxicology Research Program (CTRP) is composed of three main elements. The largest component is the National Center for Computational Toxicology (NCCT), which was established in 2005 to coordinate research on chemical screening and prioritization, informatics, and systems modeling. The second element consists of related activities in the National Health and Environmental Effects Research Laboratory (NHEERL) and the National Exposure Research Laboratory (NERL). The third and final component consists of academic centers working on various aspects of computational toxicology and funded by the EPA Science to Achieve Results (STAR) program. Key intramural projects of the CTRP include digitizing legacy toxicity testing information toxicity reference database (ToxRefDB), predicting toxicity (ToxCast™) and exposure (ExpoCast™), and creating virtual liver (v-Liver™) and virtual embryo (v-Embryo™) systems models. The models and underlying data are being made publicly available t

Astrobiology Press Conference

NASA Image and Video Library

2010-12-02

Steven Benner, a distinguished fellow at the Foundation for Applied Molecular Evolution, right, speaks during a press conference as Mary Voytek, director of the Astrobiology Program at NASA looks on, Thursday, Dec. 2, 2010, at NASA Headquarters in Washington. NASA-funded astrobiology research has changed the fundamental knowledge about what comprises all known life on Earth. Researchers conducting tests in the harsh environment of Mono Lake in California have discovered the first known microorganism on Earth able to thrive and reproduce using the toxic chemical arsenic. Photo Credit: (NASA/Paul E. Alers)

Early history of neutron scattering at oak ridge

NASA Astrophysics Data System (ADS)

Wilkinson, M. K.

1986-03-01

Most of the early development of neutron scattering techniques utilizing reactor neutrons occurred at the Oak Ridge National Laboratory during the years immediately following World War II. C.G. Shull, E.O. Wollan, and their associates systematically established neutron diffraction as a quantitative research tool and then applied this technique to important problems in nuclear physics, chemical crystallography, and magnetism. This article briefly summarizes the very important research at ORNL during this period, which laid the foundation for the establishment of neutron scattering programs throughout the world.

40 CFR 68.170 - Prevention program/Program 2.

Code of Federal Regulations, 2013 CFR

2013-07-01

... the process. (c) The name(s) of the chemical(s) covered. (d) The date of the most recent review or... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Risk Management Plan § 68.170 Prevention program/Program... of completion of the most recent hazard review or update. (1) The expected date of completion of any...

40 CFR 68.170 - Prevention program/Program 2.

Code of Federal Regulations, 2012 CFR

2012-07-01

... the process. (c) The name(s) of the chemical(s) covered. (d) The date of the most recent review or... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Risk Management Plan § 68.170 Prevention program/Program... of completion of the most recent hazard review or update. (1) The expected date of completion of any...

40 CFR 68.170 - Prevention program/Program 2.

Code of Federal Regulations, 2014 CFR

2014-07-01

... the process. (c) The name(s) of the chemical(s) covered. (d) The date of the most recent review or... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Risk Management Plan § 68.170 Prevention program/Program... of completion of the most recent hazard review or update. (1) The expected date of completion of any...

[The analytical setting of rotary speed of centrifuge rotor and centrifugation time in chemical, biochemical and microbiological practice].

PubMed

Zolotarev, K V

2012-08-01

The researchers happen to face with suspensions in their chemical, biochemical and microbiological practice. The suspensions are the disperse systems with solid dispersed phase and liquid dispersion medium and with dispersed phase particle size > 100 nm (10-7 m). Quite often the necessity occurs to separate solid particles from liquid. To use for this purpose the precipitation in gravitation field can make the process to progress too long. In this respect an effective mode is the precipitation in the field of centrifugal forces--the centrifugation. The rotary speed of centrifuge rotor and centrifugation time can be set analytically using regularities of general dynamics and hydrodynamics. To this effect, should be written and transformed the equation of First and Second Newton Laws for suspension particle being in the field of centrifugal forces and forces of resistance of liquid and vessel wall. The force of liquid resistance depends on particle motion condition in liquid. To determine the regimen the Archimedes and Reynolds numerical dimensionless criteria are to be applied. The article demonstrates the results of these transformations as analytical inverse ratio dependence of centrifugation time from rotary speed. The calculation of series of "rate-time" data permits to choose the optimal data pair on the assumption of centrifuge capacity and practical reasonability. The results of calculations are validated by actual experimental data hence the physical mathematical apparatus can be considered as effective one. The setting progress depends both from parameter (Reynolds criterion) and data series calculation. So, the most convenient way to apply this operation is the programming approach. The article proposes to use the program Microsoft Excel and VBA programming language for this purpose. The possibility to download the file from Internet to use it for fast solution is proposed.

Survey of the US materials processing and manufacturing in space program

NASA Technical Reports Server (NTRS)

Mckannan, E. C.

1981-01-01

To promote potential commercial applications of low-g technology, the materials processing and manufacturing in space program is structured to: (1) analyze the scientific principles of gravitational effects on processes used in producing materials; (2) apply the research toward the technology used to control production process (on Earth or in space, as appropriate); and (3) establish the legal and managerial framework for commercial ventures. Presently federally funded NASA research is described as well as agreements for privately funded commercial activity, and a proposed academic participation process. The future scope of the program and related capabilities using ground based facilities, aircraft, sounding rockets, and space shuttles are discussed. Areas of interest described include crystal growth; solidification of metals and alloys; containerless processing; fluids and chemical processes (including biological separation processes); and processing extraterrestrial materials.

The motivation, skills, and decision-making model of "drug abuse" prevention.

PubMed

Sussman, Steve; Earleywine, Mitchell; Wills, Thomas; Cody, Christine; Biglan, Tony; Dent, Clyde W; Newcomb, Michael D

2004-01-01

This article summarizes the theoretical basis for targeted prevention programs as they apply to different high-risk groups. We explain the advantages and disadvantages of different definitions of risk and discuss strategies for preventing drug use related problems in high-risk youth. Productive prevention programs for many at-risk groups share similar components, including those that address motivation, skills, and decision making. We present key aspects of these three components and link them to theories in clinical psychology, social psychology, sociology, and chemical dependence treatment. Among a total of 29 promising targeted prevention programs, we describe examples of empirically evaluated, intensive interventions that have made a positive impact on the attitudes and behavior of multiple problem youth. Incorporating the perspectives of multiple disciplines appears essential for progress in drug abuse and other problem behavior prevention.

Pilot Plants Enhance Brazosport Lab Courses.

ERIC Educational Resources Information Center

Krieger, James

1986-01-01

Describes an experiential lab program for a two-year college's chemical technology program. Discusses student experiences in six miniature pilot plants that represent the essential instrumentation and chemical processes found in the chemical industry. Recognizes the industries that helped implement the program. (TW)

Distance learning in toxicology: Australia's RMIT program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahokas, Jorma; Donohue, Diana; Rix, Colin

2005-09-01

RMIT University was the first to offer a comprehensive Masters of Toxicology in Australasia 19 years ago. In 2001 the program was transformed into two stages, leading to a Graduate Diploma and Master of Applied Science in Toxicology. Now, these programs are fully online and suitable for graduates living and working anywhere in the world. The modular distance-learning courses are specifically designed to equip students with essential skills for entering fields such as chemical and drug evaluation; risk assessment of chemicals in the workplace; environmental and food toxicology. RMIT's online course delivery system has made it possible to deliver themore » toxicology programs, both nationally and internationally. The learning material and interactive activities (tests and quizzes, discussion boards, chat sessions) use Blackboard and WebBoard, each with a different educational function. Students log in to a Learning Hub to access their courses. The Learning Hub enables students to extend their learning beyond the classroom to the home, workplace, library and any other location with Internet access. The teaching staff log in to the Learning Hub to maintain and administer the online programs and courses which they have developed and/or which they teach. The Learning Hub is also a communication tool for students and staff, providing access to email, a diary and announcements. The early experience of delivering a full toxicology program online is very positive. However this mode of teaching continues to present many interesting technical, educational and cultural challenges, including: the design and presentation of the material; copyright issues; internationalisation of content; interactive participation; and the assessment procedures.« less

Chemical Demilitarization Assembled Chemical Weapons Alternatives (Chem Demil-ACWA)

DTIC Science & Technology

2015-12-01

Weapons Alternatives (Chem Demil-ACWA) is performing a portion of the chemical warfare materiel elimination mission. In 1996, Congress and the...Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-243 Chemical Demilitarization-Assembled Chemical Weapons Alternatives (Chem Demil-ACWA) As...Date Assigned: December 19, 2010 Program Information Program Name Chemical Demilitarization-Assembled Chemical Weapons Alternatives (Chem Demil

Near-critical fluids under microgravity : status of the eseme program and perspectives for the iss

NASA Astrophysics Data System (ADS)

Beysens, D.; Garrabos, Y.

2001-03-01

Started 16 years ago, the ESEME program has led to a number of important findings. We note a simple and unified view of phase transitions, which has been applied to the development of biological patterns, and a very fast thermalization mode that we coined the "piston effect". This effect has been applied to control the cryogenic reservoirs of the Ariane 5 rocket. All these findings have been obtained thanks to the good coordination of the ESA and CNES space facilities and the construction of high technology experimental modules. The future of the program is linked to the CNES DECLIC facility and the ESA Fluid Science Laboratory (FSL). DECLIC has been designed to increase the temperature regulation above the critical point of water (550 K) so as to investigate chemical reactions under conditions of supercritical water, and in relation to the promising applications of waste treatment by supercritical oxidation. Thanks to the construction of a special vibrational Experiment Container for FSL, the thermal and mechanical behavior of fluids under forced vibration can be investigated. The results of such studies will help to estimate the effect of g-jitter on fluids, and control gases and liquids in space.

Fingerprinting of Materials: Technical Supplement

NASA Technical Reports Server (NTRS)

Workman, Gary L.

1992-01-01

This supplement to the Guidelines for Maintaining a Chemical Fingerprinting Program has been developed to assist NASA personnel, contractors, and sub-contractors in defining the technical aspects and basic concepts which can be used in chemical fingerprinting programs. This material is not meant to be totally inclusive to all chemical fingerprinting programs, but merely to present current concepts. Each program will be tailored to meet the needs of the individual organizations using chemical fingerprinting to improve their quality and reliability in the production of aerospace systems.

Cross-species extrapolation of toxicity information using the ...

EPA Pesticide Factsheets

In the United States, the Endocrine Disruptor Screening Program (EDSP) was established to identify chemicals that may lead to adverse effects via perturbation of the endocrine system (i.e., estrogen, androgen, and thyroid hormone systems). In the mid-1990s the EDSP adopted a two tiered approach for screening chemicals that applied standardized in vitro and in vivo toxicity tests. The Tier 1 screening assays were designed to identify substances that have the potential of interacting with the endocrine system and Tier 2 testing was developed to identify adverse effects caused by the chemical, with documentation of dose-response relationships. While this tiered approach was effective in identifying possible endocrine disrupting chemicals, the cost and time to screen a single chemical was significant. Therefore, in 2012 the EDSP proposed a transition to make greater use of computational approaches (in silico) and high-throughput screening (HTS; in vitro) assays to more rapidly and cost-efficiently screen chemicals for endocrine activity. This transition from resource intensive, primarily in vivo, screening methods to more pathway-based approaches aligns with the simultaneously occurring transformation in toxicity testing termed “Toxicity Testing in the 21st Century” which shifts the focus to the disturbance of the biological pathway predictive of the observable toxic effects. An example of such screening tools include the US Environmental Protection Agency’s

Integrated field lysimetry and porewater sampling for evaluation of chemical mobility in soils and established vegetation.

PubMed

Matteson, Audrey R; Mahoney, Denis J; Gannon, Travis W; Polizzotto, Matthew L

2014-07-04

Potentially toxic chemicals are routinely applied to land to meet growing demands on waste management and food production, but the fate of these chemicals is often not well understood. Here we demonstrate an integrated field lysimetry and porewater sampling method for evaluating the mobility of chemicals applied to soils and established vegetation. Lysimeters, open columns made of metal or plastic, are driven into bareground or vegetated soils. Porewater samplers, which are commercially available and use vacuum to collect percolating soil water, are installed at predetermined depths within the lysimeters. At prearranged times following chemical application to experimental plots, porewater is collected, and lysimeters, containing soil and vegetation, are exhumed. By analyzing chemical concentrations in the lysimeter soil, vegetation, and porewater, downward leaching rates, soil retention capacities, and plant uptake for the chemical of interest may be quantified. Because field lysimetry and porewater sampling are conducted under natural environmental conditions and with minimal soil disturbance, derived results project real-case scenarios and provide valuable information for chemical management. As chemicals are increasingly applied to land worldwide, the described techniques may be utilized to determine whether applied chemicals pose adverse effects to human health or the environment.

Integrated Field Lysimetry and Porewater Sampling for Evaluation of Chemical Mobility in Soils and Established Vegetation

PubMed Central

Gannon, Travis W.; Polizzotto, Matthew L.

2014-01-01

Potentially toxic chemicals are routinely applied to land to meet growing demands on waste management and food production, but the fate of these chemicals is often not well understood. Here we demonstrate an integrated field lysimetry and porewater sampling method for evaluating the mobility of chemicals applied to soils and established vegetation. Lysimeters, open columns made of metal or plastic, are driven into bareground or vegetated soils. Porewater samplers, which are commercially available and use vacuum to collect percolating soil water, are installed at predetermined depths within the lysimeters. At prearranged times following chemical application to experimental plots, porewater is collected, and lysimeters, containing soil and vegetation, are exhumed. By analyzing chemical concentrations in the lysimeter soil, vegetation, and porewater, downward leaching rates, soil retention capacities, and plant uptake for the chemical of interest may be quantified. Because field lysimetry and porewater sampling are conducted under natural environmental conditions and with minimal soil disturbance, derived results project real-case scenarios and provide valuable information for chemical management. As chemicals are increasingly applied to land worldwide, the described techniques may be utilized to determine whether applied chemicals pose adverse effects to human health or the environment. PMID:25045915

In silico toxicology for the pharmaceutical sciences

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valerio, Luis G., E-mail: Luis.Valerio@fda.hhs.go

2009-12-15

The applied use of in silico technologies (a.k.a. computational toxicology, in silico toxicology, computer-assisted tox, e-tox, i-drug discovery, predictive ADME, etc.) for predicting preclinical toxicological endpoints, clinical adverse effects, and metabolism of pharmaceutical substances has become of high interest to the scientific community and the public. The increased accessibility of these technologies for scientists and recent regulations permitting their use for chemical risk assessment supports this notion. The scientific community is interested in the appropriate use of such technologies as a tool to enhance product development and safety of pharmaceuticals and other xenobiotics, while ensuring the reliability and accuracy ofmore » in silico approaches for the toxicological and pharmacological sciences. For pharmaceutical substances, this means active and impurity chemicals in the drug product may be screened using specialized software and databases designed to cover these substances through a chemical structure-based screening process and algorithm specific to a given software program. A major goal for use of these software programs is to enable industry scientists not only to enhance the discovery process but also to ensure the judicious use of in silico tools to support risk assessments of drug-induced toxicities and in safety evaluations. However, a great amount of applied research is still needed, and there are many limitations with these approaches which are described in this review. Currently, there is a wide range of endpoints available from predictive quantitative structure-activity relationship models driven by many different computational software programs and data sources, and this is only expected to grow. For example, there are models based on non-proprietary and/or proprietary information specific to assessing potential rodent carcinogenicity, in silico screens for ICH genetic toxicity assays, reproductive and developmental toxicity, theoretical prediction of human drug metabolism, mechanisms of action for pharmaceuticals, and newer models for predicting human adverse effects. How accurate are these approaches is both a statistical issue and challenge in toxicology. In this review, fundamental concepts and the current capabilities and limitations of this technology will be critically addressed.« less

Spectral characteristics and the extent of paleosols of the Palouse formation

NASA Technical Reports Server (NTRS)

Frazier, B. E.; Busacca, Alan; Cheng, Yaan; Wherry, David; Hart, Judy; Gill, Steve

1987-01-01

Thematic mapping data was analyzed and verified by comparison to previously gathered transect samples and to aerial photographs. A bare-soil field with exposed paleosols characterized by slight enrichment of iron was investigated. Spectral relationships were first investigated statistically by creating a data set with DN values spatially matched as nearly as possible to field sample points. Chemical data for each point included organic carbon, free iron oxide, and amorphous iron content. The chemical data, DN values, and various band ratios were examined with the program package Statistix in order to find the combinations of reflectance data most likely to show a relationship which would dependably separate the exposed paleosols from the other soils. Cluster analysis and Fastclas classification procedures were applied to the most promising of the band ratio combinations.

Predicting extractives content of Eucalyptus bosistoana F. Muell. Heartwood from stem cores by near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Li, Yanjie; Altaner, Clemens

2018-06-01

Time and resource are the restricting factors for the wider use of chemical information of wood in tree breeding programs. NIR offers an advantage over wet-chemical analysis in these aspects and is starting to be used for tree breeding. This work describes the development of a NIR-based assessment of extractive content in heartwood of E. bosistoana, which does not require milling and conditioning of the samples. This was achieved by applying the signal processing algorithms (external parameter orthogonalisation (EPO) and significance multivariate correlation (sMC)) to spectra obtained from solid wood cores, which were able to correct for moisture content, grain direction and sample form. The accuracy of extractive content predictions was further improved by variable selection, resulting in a root mean square error of 1.27%. Considering the range of extractive content in E. bosistoana heartwood of 1.3 to 15.0%, the developed NIR calibration has the potential to be used in an E. bosistoana breeding program or to assess the special variation in extractive content throughout a stem.

Guidance on health effects of toxic chemicals. Safety Analysis Report Update Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foust, C.B.; Griffin, G.D.; Munro, N.B.

1994-02-01

Martin Marietta Energy Systems, Inc. (MMES), and Martin Marietta Utility Services, Inc. (MMUS), are engaged in phased programs to update the safety documentation for the existing US Department of Energy (DOE)-owned facilities. The safety analysis of potential toxic hazards requires a methodology for evaluating human health effects of predicted toxic exposures. This report provides a consistent set of health effects and documents toxicity estimates corresponding to these health effects for some of the more important chemicals found within MMES and MMUS. The estimates are based on published toxicity information and apply to acute exposures for an ``average`` individual. The healthmore » effects (toxicological endpoints) used in this report are (1) the detection threshold; (2) the no-observed adverse effect level; (3) the onset of irritation/reversible effects; (4) the onset of irreversible effects; and (5) a lethal exposure, defined to be the 50% lethal level. An irreversible effect is defined as a significant effect on a person`s quality of life, e.g., serious injury. Predicted consequences are evaluated on the basis of concentration and exposure time.« less

Translational Science for Energy and Beyond

DOE Office of Scientific and Technical Information (OSTI.GOV)

McKone, James R.; Crans, Debbie C.; Martin, Cheryl

A clear challenge for the coming decades is decreasing the carbon intensity of the global energy supply while simultaneously accommodating a rapid worldwide increase in power demand. Meeting this challenge of providing abundant, clean energy undoubtedly requires synergistic efforts between basic and applied researchers in the chemical sciences to develop and deploy new technologies. Among the available options, solar energy is one of the promising targets because of the high abundance of solar photons over much of the globe. Similarly, decarbonization of the global energy supply will require clean sources of hydrogen to use as reducing equivalents for fuel andmore » chemical feedstocks. In this report, we discuss the importance of translational research -- defined as work that explicitly targets basic discovery as well as technology development -- in the context of photovoltaics and solar fuels. We focus on three representative research programs encompassing translational research in government, industry, and academia. We then discuss more broadly the benefits and challenges of translational research models and offer recommendations for research programs that address societal challenges in the energy sector and beyond.« less

Representation of molecular structure using quantum topology with inductive logic programming in structure-activity relationships.

PubMed

Buttingsrud, Bård; Ryeng, Einar; King, Ross D; Alsberg, Bjørn K

2006-06-01

The requirement of aligning each individual molecule in a data set severely limits the type of molecules which can be analysed with traditional structure activity relationship (SAR) methods. A method which solves this problem by using relations between objects is inductive logic programming (ILP). Another advantage of this methodology is its ability to include background knowledge as 1st-order logic. However, previous molecular ILP representations have not been effective in describing the electronic structure of molecules. We present a more unified and comprehensive representation based on Richard Bader's quantum topological atoms in molecules (AIM) theory where critical points in the electron density are connected through a network. AIM theory provides a wealth of chemical information about individual atoms and their bond connections enabling a more flexible and chemically relevant representation. To obtain even more relevant rules with higher coverage, we apply manual postprocessing and interpretation of ILP rules. We have tested the usefulness of the new representation in SAR modelling on classifying compounds of low/high mutagenicity and on a set of factor Xa inhibitors of high and low affinity.

Optimized multiple quantum MAS lineshape simulations in solid state NMR

NASA Astrophysics Data System (ADS)

Brouwer, William J.; Davis, Michael C.; Mueller, Karl T.

2009-10-01

The majority of nuclei available for study in solid state Nuclear Magnetic Resonance have half-integer spin I>1/2, with corresponding electric quadrupole moment. As such, they may couple with a surrounding electric field gradient. This effect introduces anisotropic line broadening to spectra, arising from distinct chemical species within polycrystalline solids. In Multiple Quantum Magic Angle Spinning (MQMAS) experiments, a second frequency dimension is created, devoid of quadrupolar anisotropy. As a result, the center of gravity of peaks in the high resolution dimension is a function of isotropic second order quadrupole and chemical shift alone. However, for complex materials, these parameters take on a stochastic nature due in turn to structural and chemical disorder. Lineshapes may still overlap in the isotropic dimension, complicating the task of assignment and interpretation. A distributed computational approach is presented here which permits simulation of the two-dimensional MQMAS spectrum, generated by random variates from model distributions of isotropic chemical and quadrupole shifts. Owing to the non-convex nature of the residual sum of squares (RSS) function between experimental and simulated spectra, simulated annealing is used to optimize the simulation parameters. In this manner, local chemical environments for disordered materials may be characterized, and via a re-sampling approach, error estimates for parameters produced. Program summaryProgram title: mqmasOPT Catalogue identifier: AEEC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3650 No. of bytes in distributed program, including test data, etc.: 73 853 Distribution format: tar.gz Programming language: C, OCTAVE Computer: UNIX/Linux Operating system: UNIX/Linux Has the code been vectorised or parallelized?: Yes RAM: Example: (1597 powder angles) × (200 Samples) × (81 F2 frequency pts) × (31 F1 frequency points) = 3.5M, SMP AMD opteron Classification: 2.3 External routines: OCTAVE ( http://www.gnu.org/software/octave/), GNU Scientific Library ( http://www.gnu.org/software/gsl/), OPENMP ( http://openmp.org/wp/) Nature of problem: The optimal simulation and modeling of multiple quantum magic angle spinning NMR spectra, for general systems, especially those with mild to significant disorder. The approach outlined and implemented in C and OCTAVE also produces model parameter error estimates. Solution method: A model for each distinct chemical site is first proposed, for the individual contribution of crystallite orientations to the spectrum. This model is averaged over all powder angles [1], as well as the (stochastic) parameters; isotropic chemical shift and quadrupole coupling constant. The latter is accomplished via sampling from a bi-variate Gaussian distribution, using the Box-Muller algorithm to transform Sobol (quasi) random numbers [2]. A simulated annealing optimization is performed, and finally the non-linear jackknife [3] is applied in developing model parameter error estimates. Additional comments: The distribution contains a script, mqmasOpt.m, which runs in the OCTAVE language workspace. Running time: Example: (1597 powder angles) × (200 Samples) × (81 F2 frequency pts) × (31 F1 frequency points) = 58.35 seconds, SMP AMD opteron. References:S.K. Zaremba, Annali di Matematica Pura ed Applicata 73 (1966) 293. H. Niederreiter, Random Number Generation and Quasi-Monte Carlo Methods, SIAM, 1992. T. Fox, D. Hinkley, K. Larntz, Technometrics 22 (1980) 29.

An Overview of Atmospheric Chemistry and Air Quality Modeling

NASA Technical Reports Server (NTRS)

Johnson, Matthew S.

2017-01-01

This presentation will include my personal research experience and an overview of atmospheric chemistry and air quality modeling to the participants of the NASA Student Airborne Research Program (SARP 2017). The presentation will also provide examples on ways to apply airborne observations for chemical transport (CTM) and air quality (AQ) model evaluation. CTM and AQ models are important tools in understanding tropospheric-stratospheric composition, atmospheric chemistry processes, meteorology, and air quality. This presentation will focus on how NASA scientist currently apply CTM and AQ models to better understand these topics. Finally, the importance of airborne observation in evaluating these topics and how in situ and remote sensing observations can be used to evaluate and improve CTM and AQ model predictions will be highlighted.

ExcelAutomat: a tool for systematic processing of files as applied to quantum chemical calculations

NASA Astrophysics Data System (ADS)

Laloo, Jalal Z. A.; Laloo, Nassirah; Rhyman, Lydia; Ramasami, Ponnadurai

2017-07-01

The processing of the input and output files of quantum chemical calculations often necessitates a spreadsheet as a key component of the workflow. Spreadsheet packages with a built-in programming language editor can automate the steps involved and thus provide a direct link between processing files and the spreadsheet. This helps to reduce user-interventions as well as the need to switch between different programs to carry out each step. The ExcelAutomat tool is the implementation of this method in Microsoft Excel (MS Excel) using the default Visual Basic for Application (VBA) programming language. The code in ExcelAutomat was adapted to work with the platform-independent open-source LibreOffice Calc, which also supports VBA. ExcelAutomat provides an interface through the spreadsheet to automate repetitive tasks such as merging input files, splitting, parsing and compiling data from output files, and generation of unique filenames. Selected extracted parameters can be retrieved as variables which can be included in custom codes for a tailored approach. ExcelAutomat works with Gaussian files and is adapted for use with other computational packages including the non-commercial GAMESS. ExcelAutomat is available as a downloadable MS Excel workbook or as a LibreOffice workbook.

ExcelAutomat: a tool for systematic processing of files as applied to quantum chemical calculations.

PubMed

Laloo, Jalal Z A; Laloo, Nassirah; Rhyman, Lydia; Ramasami, Ponnadurai

2017-07-01

The processing of the input and output files of quantum chemical calculations often necessitates a spreadsheet as a key component of the workflow. Spreadsheet packages with a built-in programming language editor can automate the steps involved and thus provide a direct link between processing files and the spreadsheet. This helps to reduce user-interventions as well as the need to switch between different programs to carry out each step. The ExcelAutomat tool is the implementation of this method in Microsoft Excel (MS Excel) using the default Visual Basic for Application (VBA) programming language. The code in ExcelAutomat was adapted to work with the platform-independent open-source LibreOffice Calc, which also supports VBA. ExcelAutomat provides an interface through the spreadsheet to automate repetitive tasks such as merging input files, splitting, parsing and compiling data from output files, and generation of unique filenames. Selected extracted parameters can be retrieved as variables which can be included in custom codes for a tailored approach. ExcelAutomat works with Gaussian files and is adapted for use with other computational packages including the non-commercial GAMESS. ExcelAutomat is available as a downloadable MS Excel workbook or as a LibreOffice workbook.

Native Larvivorous Fish in an Endemic Malarious Area of Southern Iran, a Biological Alternative Factor for Chemical Larvicides in Malaria Control Program

PubMed Central

SHAHI, Mehran; KAMRANI, Ehsan; SALEHI, Mehrdad; HABIBI, Reza; HANAFI-BOJD, Ahmad Ali

2015-01-01

Background: The widespread use of chemical insecticides, resistance in vectors and environmental problems, all have led to an increased interest in the use of biological agents in malaria control programs. The most important functional elements are the native fish. The aim of this study was to identify the native species of lavivorous fish in Rudan County, southern Iran, to introduce an effective species and to propose its’ implementation in the national malaria control program. Methods: This ecologically descriptive study was conducted during 2011–2012 using random sampling from different fish habitats of Rudan County. The shoals of fish were caught using fishing net. Fish samples were then identified in the Ichthyology lab, Department of Fisheries and the Environment, Hormozgan University. Results: Three species of larvivorous fish were identified as follows: Gambusia holbrooki, Aphaniusdispar dispar and Aphanius sp. The latter species has the most distribution in the study area and needs more morphological and molecular studies for identification at the species level. Conclusion: Two species of native fish, i.e., A. dispar and A. sp. with larvivorous potential live in the area. Further studies on their predatory property are recommended in order to apply this local potential against malaria vectors in the area. PMID:26744713

Transpiration and film cooling boundary layer computer program. Volume 1: Numerical solutions of the turbulent boundary layer equations with equilibrium chemistry

NASA Technical Reports Server (NTRS)

Levine, J. N.

1971-01-01

A finite difference turbulent boundary layer computer program has been developed. The program is primarily oriented towards the calculation of boundary layer performance losses in rocket engines; however, the solution is general, and has much broader applicability. The effects of transpiration and film cooling as well as the effect of equilibrium chemical reactions (currently restricted to the H2-O2 system) can be calculated. The turbulent transport terms are evaluated using the phenomenological mixing length - eddy viscosity concept. The equations of motion are solved using the Crank-Nicolson implicit finite difference technique. The analysis and computer program have been checked out by solving a series of both laminar and turbulent test cases and comparing the results to data or other solutions. These comparisons have shown that the program is capable of producing very satisfactory results for a wide range of flows. Further refinements to the analysis and program, especially as applied to film cooling solutions, would be aided by the acquisition of a firm data base.

Estimating vapor pressures of pure liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haraburda, S.S.

1996-03-01

Calculating the vapor pressures for pure liquid chemicals is a key step in designing equipment for separation of liquid mixtures. Here is a useful way to develop an equation for predicting vapor pressures over a range of temperatures. The technique uses known vapor pressure points for different temperatures. Although a vapor-pressure equation is being showcased in this article, the basic method has much broader applicability -- in fact, users can apply it to develop equations for any temperature-dependent model. The method can be easily adapted for use in software programs for mathematics evaluation, minimizing the need for any programming. Themore » model used is the Antoine equation, which typically provides a good correlation with experimental or measured data.« less

Digitizing mass spectrometry data to explore the chemical diversity and distribution of marine cyanobacteria and algae

PubMed Central

Luzzatto-Knaan, Tal; Garg, Neha; Wang, Mingxun; Glukhov, Evgenia; Peng, Yao; Ackermann, Gail; Amir, Amnon; Duggan, Brendan M; Ryazanov, Sergey; Gerwick, Lena; Knight, Rob; Alexandrov, Theodore; Bandeira, Nuno; Gerwick, William H; Dorrestein, Pieter C

2017-01-01

Natural product screening programs have uncovered molecules from diverse natural sources with various biological activities and unique structures. However, much is yet underexplored and additional information is hidden in these exceptional collections. We applied untargeted mass spectrometry approaches to capture the chemical space and dispersal patterns of metabolites from an in-house library of marine cyanobacterial and algal collections. Remarkably, 86% of the metabolomics signals detected were not found in other available datasets of similar nature, supporting the hypothesis that marine cyanobacteria and algae possess distinctive metabolomes. The data were plotted onto a world map representing eight major sampling sites, and revealed potential geographic locations with high chemical diversity. We demonstrate the use of these inventories as a tool to explore the diversity and distribution of natural products. Finally, we utilized this tool to guide the isolation of a new cyclic lipopeptide, yuvalamide A, from a marine cyanobacterium. DOI: http://dx.doi.org/10.7554/eLife.24214.001 PMID:28492366

Promoting Chemistry at the Elementary Level: A Low-Maintenance Program of Chemical Demonstrations.

ERIC Educational Resources Information Center

Louters, Larry L.; Huisman, Richard D.

1999-01-01

Presents a chemical demonstration program designed to support elementary science education in which fifth- and sixth-grade students visit a college campus to watch chemical demonstrations performed by a professor. Contains suggestions for program set-up and references for demonstrations to use. (WRM)

Dr. William Tumas - Associate Laboratory Director, Materials and Chemical

Science.gov Websites

Chemical Science and Technology Dr. William Tumas - Associate Laboratory Director, Materials and Chemical , technical direction, and workforce development of the materials and chemical science and technology , program management, and program execution. He joined NREL in December 2009 as Director of the Chemical and

A hybrid computer program for rapidly solving flowing or static chemical kinetic problems involving many chemical species

NASA Technical Reports Server (NTRS)

Mclain, A. G.; Rao, C. S. R.

1976-01-01

A hybrid chemical kinetic computer program was assembled which provides a rapid solution to problems involving flowing or static, chemically reacting, gas mixtures. The computer program uses existing subroutines for problem setup, initialization, and preliminary calculations and incorporates a stiff ordinary differential equation solution technique. A number of check cases were recomputed with the hybrid program and the results were almost identical to those previously obtained. The computational time saving was demonstrated with a propane-oxygen-argon shock tube combustion problem involving 31 chemical species and 64 reactions. Information is presented to enable potential users to prepare an input data deck for the calculation of a problem.

76 FR 41371 - Impact of Reducing the Mixture Concentration Threshold for Commercial Schedule 3 Chemical...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-13

...The Bureau of Industry and Security (BIS) is seeking public comments on the impact of amending the Chemical Weapons Convention Regulations (CWCR) to reduce the concentration level at which the CWCR exempt certain mixtures containing Schedule 3 chemicals from the declaration requirements that apply to Schedule 3 chemical production and the reporting requirements that apply to exports and imports of Schedule 3 chemicals under the Chemical Weapons Convention (CWC). BIS is considering amending the CWCR declaration requirements that apply to the production of Schedule 3 chemicals to conform with the low concentration exemption adopted by the Organization for the Prohibition of Chemical Weapons (OPCW) in 2003, which applies when the concentration of any single Schedule 3 chemical in a mixture is ``30% or less,'' by weight or volume (whichever yields the lesser percent). Currently, the CWCR do not require the quantity of a Schedule 3 chemical contained in a mixture to be counted for declaration or reporting purposes if the concentration of the Schedule 3 chemical in the mixture is ``less than 80%'' by volume or weight (whichever yields the lesser percent). The current low concentration level was implemented in accordance with requirements set forth in the Chemical Weapons Convention Implementation Act (CWCIA). Accordingly, publication and implementation of regulatory changes affecting this low concentration exemption level would be contingent upon amendment of the CWCIA by the Congress. In addition, consistent with U.S. national discretion, BIS is considering amending the CWCR reporting requirements for exports and imports of Schedule 3 chemicals by reducing the low concentration exemption that applies to certain mixtures containing Schedule 3 chemicals from the current low concentration level of ``less than 80%'' of a Schedule 3 chemical by volume or weight (whichever yields the lesser percent) to a concentration of ``30% or less.''

Progress report Waste Resources Utilization Program period ending March 31, 1976. [Radiosterilization of sewage sludge for safe application as fertilizer or animal feed

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1976-06-01

This report describes the work on the Waste Resources Utilization Program for the quarter ending March 31, 1976. The purpose of this program is to develop technologies to utilize a /sup 137/Cs ..gamma.. source to modify sewage sludge for safe application as a fertilizer or an animal feed supplement. Results are reported from studies in microbiology, virology, and physical-chemical studies. Determinations were made of inactivation rates for Salmonella species, coliforms, and fecal strep in sewage sludge when radiation and thermoradiation were applied while bubbling oxygen through the sludge. Virology studies were continued investigating virucidal characteristics of anaerobically digested sludge. Anothermore » area of study was the dewatering of sewage sludge to reduce the drying time of the sewage sludge in the drying beds. A centrifuge was also installed to dewater treated sludge to approximately 30 percent solids. (auth)« less

Prospective aquatic risk assessment for chemical mixtures in agricultural landscapes

PubMed Central

Brown, Colin D.; Hamer, Mick; Jones, Russell; Maltby, Lorraine; Posthuma, Leo; Silberhorn, Eric; Teeter, Jerold Scott; Warne, Michael St J; Weltje, Lennart

2018-01-01

Abstract Environmental risk assessment of chemical mixtures is challenging because of the multitude of possible combinations that may occur. Aquatic risk from chemical mixtures in an agricultural landscape was evaluated prospectively in 2 exposure scenario case studies: at field scale for a program of 13 plant‐protection products applied annually for 20 yr and at a watershed scale for a mixed land‐use scenario over 30 yr with 12 plant‐protection products and 2 veterinary pharmaceuticals used for beef cattle. Risk quotients were calculated from regulatory exposure models with typical real‐world use patterns and regulatory acceptable concentrations for individual chemicals. The results could differentiate situations when there was concern associated with single chemicals from those when concern was associated with a mixture (based on concentration addition) with no single chemical triggering concern. Potential mixture risk was identified on 0.02 to 7.07% of the total days modeled, depending on the scenario, the taxa, and whether considering acute or chronic risk. Taxa at risk were influenced by receiving water body characteristics along with chemical use profiles and associated properties. The present study demonstrates that a scenario‐based approach can be used to determine whether mixtures of chemicals pose risks over and above any identified using existing approaches for single chemicals, how often and to what magnitude, and ultimately which mixtures (and dominant chemicals) cause greatest concern. Environ Toxicol Chem 2018;37:674–689. © 2017 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC. PMID:29193235

Prospective aquatic risk assessment for chemical mixtures in agricultural landscapes.

PubMed

Holmes, Christopher M; Brown, Colin D; Hamer, Mick; Jones, Russell; Maltby, Lorraine; Posthuma, Leo; Silberhorn, Eric; Teeter, Jerold Scott; Warne, Michael St J; Weltje, Lennart

2018-03-01

Environmental risk assessment of chemical mixtures is challenging because of the multitude of possible combinations that may occur. Aquatic risk from chemical mixtures in an agricultural landscape was evaluated prospectively in 2 exposure scenario case studies: at field scale for a program of 13 plant-protection products applied annually for 20 yr and at a watershed scale for a mixed land-use scenario over 30 yr with 12 plant-protection products and 2 veterinary pharmaceuticals used for beef cattle. Risk quotients were calculated from regulatory exposure models with typical real-world use patterns and regulatory acceptable concentrations for individual chemicals. The results could differentiate situations when there was concern associated with single chemicals from those when concern was associated with a mixture (based on concentration addition) with no single chemical triggering concern. Potential mixture risk was identified on 0.02 to 7.07% of the total days modeled, depending on the scenario, the taxa, and whether considering acute or chronic risk. Taxa at risk were influenced by receiving water body characteristics along with chemical use profiles and associated properties. The present study demonstrates that a scenario-based approach can be used to determine whether mixtures of chemicals pose risks over and above any identified using existing approaches for single chemicals, how often and to what magnitude, and ultimately which mixtures (and dominant chemicals) cause greatest concern. Environ Toxicol Chem 2018;37:674-689. © 2017 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC. © 2017 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC.

75 FR 2445 - Chemical Facility Anti-Terrorism Standards

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-15

... Homeland Security EPA--Environmental Protection Agency RMP--Risk Management Program SSP--Site Security Plan...) under the Clean Air Act's Risk Management Program (RMP) for counting-- or excluding--flammable chemicals... of flammable chemicals in gasoline from the RMP rules was mandated by the Chemical Safety...

Standard Review Risk Assessment on Medium-chain and Long-chain Chlorinated paraffin PMN submissions by Dover Chemical

EPA Pesticide Factsheets

This assessment was conducted under EPA’s TSCA Section 5 New Chemicals Program. EPA is assessing Medium-chain Chlorinated Paraffin (MCCP) and Long-Chain Chlorinated Paraffin (LCCP) chemicals as part of its New Chemicals Review program.

Department of Defense Joint Chemical and Biological Defense Program 2009 Annual Report to Congress

DTIC Science & Technology

2009-03-27

completion at the ECBC on the Edgewood Area of Aberdeen Proving Ground (APG), MD. The SRF is a collaborative effort, funded by the DoD, DHS, and...Accelerated Manufacture of Pharmaceuticals APB Acquisition Program Baseline APG Aberdeen Proving Ground ARC Annual Report to Congress ASC Active...Critical Reagents Program CUGV Chemical, Biological, Radiological, and Nuclear Unmanned Ground Vehicle CW Chemical Weapons CWA Chemical Warfare Agent CWC

Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation.

PubMed

Nishizawa, Hiroaki; Nishimura, Yoshifumi; Kobayashi, Masato; Irle, Stephan; Nakai, Hiromi

2016-08-05

The linear-scaling divide-and-conquer (DC) quantum chemical methodology is applied to the density-functional tight-binding (DFTB) theory to develop a massively parallel program that achieves on-the-fly molecular reaction dynamics simulations of huge systems from scratch. The functions to perform large scale geometry optimization and molecular dynamics with DC-DFTB potential energy surface are implemented to the program called DC-DFTB-K. A novel interpolation-based algorithm is developed for parallelizing the determination of the Fermi level in the DC method. The performance of the DC-DFTB-K program is assessed using a laboratory computer and the K computer. Numerical tests show the high efficiency of the DC-DFTB-K program, a single-point energy gradient calculation of a one-million-atom system is completed within 60 s using 7290 nodes of the K computer. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals.

PubMed

Thomas, Paul; Dawick, James; Lampi, Mark; Lemaire, Philippe; Presow, Shaun; van Egmond, Roger; Arnot, Jon A; Mackay, Donald; Mayer, Philipp; Galay Burgos, Malyka

2015-10-20

Toxicological research in the 1930s gave the first indications of the link between narcotic toxicity and the chemical activity of organic chemicals. More recently, chemical activity has been proposed as a novel exposure parameter that describes the fraction of saturation and that quantifies the potential for partitioning and diffusive uptake. In the present study, more than 2000 acute and chronic algal, aquatic invertebrates and fish toxicity data, as well as water solubility and melting point values, were collected from a series of sources. The data were critically reviewed and grouped by mode of action (MoA). We considered 660 toxicity data to be of acceptable quality. The 328 data which applied to the 72 substances identified as MoA 1 were then evaluated within the activity-toxicity framework: EC50 and LC50 values for all three taxa correlated generally well with (subcooled) liquid solubilities. Acute toxicity was typically exerted within the chemical activity range of 0.01-0.1, whereas chronic toxicity was exerted in the range of 0.001-0.01. These results confirm that chemical activity has the potential to contribute to the determination, interpretation and prediction of toxicity to aquatic organisms. It also has the potential to enhance regulation of organic chemicals by linking results from laboratory tests, monitoring and modeling programs. The framework can provide an additional line of evidence for assessing aquatic toxicity, for improving the design of toxicity tests, reducing animal usage and addressing chemical mixtures.

Estimating the Potential Toxicity of Chemicals Associated with Hydraulic Fracturing Operations Using Quantitative Structure-Activity Relationship Modeling.

PubMed

Yost, Erin E; Stanek, John; DeWoskin, Robert S; Burgoon, Lyle D

2016-07-19

The United States Environmental Protection Agency (EPA) identified 1173 chemicals associated with hydraulic fracturing fluids, flowback, or produced water, of which 1026 (87%) lack chronic oral toxicity values for human health assessments. To facilitate the ranking and prioritization of chemicals that lack toxicity values, it may be useful to employ toxicity estimates from quantitative structure-activity relationship (QSAR) models. Here we describe an approach for applying the results of a QSAR model from the TOPKAT program suite, which provides estimates of the rat chronic oral lowest-observed-adverse-effect level (LOAEL). Of the 1173 chemicals, TOPKAT was able to generate LOAEL estimates for 515 (44%). To address the uncertainty associated with these estimates, we assigned qualitative confidence scores (high, medium, or low) to each TOPKAT LOAEL estimate, and found 481 to be high-confidence. For 48 chemicals that had both a high-confidence TOPKAT LOAEL estimate and a chronic oral reference dose from EPA's Integrated Risk Information System (IRIS) database, Spearman rank correlation identified 68% agreement between the two values (permutation p-value =1 × 10(-11)). These results provide support for the use of TOPKAT LOAEL estimates in identifying and prioritizing potentially hazardous chemicals. High-confidence TOPKAT LOAEL estimates were available for 389 of 1026 hydraulic fracturing-related chemicals that lack chronic oral RfVs and OSFs from EPA-identified sources, including a subset of chemicals that are frequently used in hydraulic fracturing fluids.

The Lewis Chemical Equilibrium Program with parametric study capability

NASA Technical Reports Server (NTRS)

Sevigny, R.

1981-01-01

The program was developed to determine chemical equilibrium in complex systems. Using a free energy minimization technique, the program permits calculations such as: chemical equilibrium for assigned thermodynamic states; theoretical rocket performance for both equilibrium and frozen compositions during expansion; incident and reflected shock properties; and Chapman-Jouget detonation properties. It is shown that the same program can handle solid coal in an entrained flow coal gasification problem.

Tools for applying lead tape to flat conductor cabling for chemical stripping

NASA Technical Reports Server (NTRS)

Angele, W.

1969-01-01

Two tools facilitate chemical stripping of insulation on flat conductor cabling. A tape pressing tool and a taping fixture apply adhesive lead tape with the proper amount of pressure to protect the remaining insulation from the chemical stripping solution.

Chemical and biological nonproliferation program. FY99 annual report

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

2000-03-01

This document is the first of what will become an annual report documenting the progress made by the Chemical and Biological Nonproliferation Program (CBNP). It is intended to be a summary of the program's activities that will be of interest to both policy and technical audiences. This report and the annual CBNP Summer Review Meeting are important vehicles for communication with the broader chemical and biological defense and nonproliferation communities. The Chemical and Biological Nonproliferation Program Strategic Plan is also available and provides additional detail on the program's context and goals. The body of the report consists of an overviewmore » of the program's philosophy, goals and recent progress in the major program areas. In addition, an appendix is provided with more detailed project summaries that will be of interest to the technical community.« less

Are attractors 'strange', or is life more complicated than the simple laws of physics?

PubMed

Pogun, S

2001-01-01

Interesting and intriguing questions involve complex systems whose properties cannot be explained fully by reductionist approaches. Last century was dominated by physics, and applying the simple laws of physics to biology appeared to be a practical solution to understand living organisms. However, although some attributes of living organisms involve physico-chemical properties, the genetic program and evolutionary history of complex biological systems make them unique and unpredictable. Furthermore, there are and will be 'unobservable' phenomena in biology which have to be accounted for.

Fatigue Behavior of Long and Short Cracks in Wrought and Powder Aluminum Alloys.

DTIC Science & Technology

1984-05-01

PROGRAM ELEMENT. PROJECT. TASK AREA & WORK UNIT NUMBERS Robert 0. Ritchie, Department of Materials Science and Mineral Engineering, University of 2306/ Al ...Chemical Compositions in wt% of Alloys Si Fe Cu Mn Mg Cr Zn Ti Zr Al 2024 0.50 0.50 4.50 0.50 1.50 0.10 0.25 0.15 -- balance 2124 0.20 0.30 4.50 0.50 1.50...been applied by Suresh et al .41 to rationalize the microstructural effects of precipitation hardening on fatigue crack growth in 7075 alloys. The

Use of Cell Viability Assay Data Improves the Prediction Accuracy of Conventional Quantitative Structure–Activity Relationship Models of Animal Carcinogenicity

PubMed Central

Zhu, Hao; Rusyn, Ivan; Richard, Ann; Tropsha, Alexander

2008-01-01

Background To develop efficient approaches for rapid evaluation of chemical toxicity and human health risk of environmental compounds, the National Toxicology Program (NTP) in collaboration with the National Center for Chemical Genomics has initiated a project on high-throughput screening (HTS) of environmental chemicals. The first HTS results for a set of 1,408 compounds tested for their effects on cell viability in six different cell lines have recently become available via PubChem. Objectives We have explored these data in terms of their utility for predicting adverse health effects of the environmental agents. Methods and results Initially, the classification k nearest neighbor (kNN) quantitative structure–activity relationship (QSAR) modeling method was applied to the HTS data only, for a curated data set of 384 compounds. The resulting models had prediction accuracies for training, test (containing 275 compounds together), and external validation (109 compounds) sets as high as 89%, 71%, and 74%, respectively. We then asked if HTS results could be of value in predicting rodent carcinogenicity. We identified 383 compounds for which data were available from both the Berkeley Carcinogenic Potency Database and NTP–HTS studies. We found that compounds classified by HTS as “actives” in at least one cell line were likely to be rodent carcinogens (sensitivity 77%); however, HTS “inactives” were far less informative (specificity 46%). Using chemical descriptors only, kNN QSAR modeling resulted in 62.3% prediction accuracy for rodent carcinogenicity applied to this data set. Importantly, the prediction accuracy of the model was significantly improved (72.7%) when chemical descriptors were augmented by HTS data, which were regarded as biological descriptors. Conclusions Our studies suggest that combining NTP–HTS profiles with conventional chemical descriptors could considerably improve the predictive power of computational approaches in toxicology. PMID:18414635

Essential oil from Eupatorium buniifolium leaves as potential varroacide.

PubMed

Umpiérrez, María Laura; Santos, Estela; Mendoza, Yamandú; Altesor, Paula; Rossini, Carmen

2013-10-01

Beekeeping has experienced a great expansion worldwide. Nowadays, several conventional pesticides, some organic acids, and essential oil components are the main means of chemical control used against Varroa destructor, an ectoparasite that may contribute to the colony collapse disorders. Varroa resistance against conventional pesticides has already been reported; therefore it is imperative to look for alternative control agents to be included in integrated pest management programs. A good alternative seems to be the use of plant essential oils (EOs) which, as natural products, are less toxic and leave fewer residues. Within this context, a bioprospecting program of the local flora searching for botanical pesticides to be used as varroacides was launched. A primary screening (driven by laboratory assays testing for anti-Varroa activity, and safety to bees) led us to select the EOs from Eupatorium buniifolium (Asteraceae) for follow up studies. We have chemical characterized EOs from twigs and leaves collected at different times. The three E. buniifolium EOs tested were active against Varroa in laboratory assays; however, there are differences that might be attributable to chemical differences also found. The foliage EO was selected for a preliminary field trial (on an experimental apiary with 40 hives) that demonstrated acaricidal activity when applied to the hives. Although activity was less than that for oxalic acid (the positive control), this EO was less toxic to bees than the control, encouraging further studies.

Predicting the future: opportunities and challenges for the chemical industry to apply 21st-century toxicity testing.

PubMed

Settivari, Raja S; Ball, Nicholas; Murphy, Lynea; Rasoulpour, Reza; Boverhof, Darrell R; Carney, Edward W

2015-03-01

Interest in applying 21st-century toxicity testing tools for safety assessment of industrial chemicals is growing. Whereas conventional toxicology uses mainly animal-based, descriptive methods, a paradigm shift is emerging in which computational approaches, systems biology, high-throughput in vitro toxicity assays, and high-throughput exposure assessments are beginning to be applied to mechanism-based risk assessments in a time- and resource-efficient fashion. Here we describe recent advances in predictive safety assessment, with a focus on their strategic application to meet the changing demands of the chemical industry and its stakeholders. The opportunities to apply these new approaches is extensive and include screening of new chemicals, informing the design of safer and more sustainable chemical alternatives, filling information gaps on data-poor chemicals already in commerce, strengthening read-across methodology for categories of chemicals sharing similar modes of action, and optimizing the design of reduced-risk product formulations. Finally, we discuss how these predictive approaches dovetail with in vivo integrated testing strategies within repeated-dose regulatory toxicity studies, which are in line with 3Rs principles to refine, reduce, and replace animal testing. Strategic application of these tools is the foundation for informed and efficient safety assessment testing strategies that can be applied at all stages of the product-development process.

78 FR 35903 - Information Collection Request Submitted to OMB for Review and Approval; Comment Request; ICR...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-14

...; Tier 1 Screening of Certain Chemicals Under the Endocrine Disruptor Screening Program AGENCY... Chemicals; Tier 1 Screening of Certain Chemicals Under the Endocrine Disruptor Screening Program (EDSP... effects. The EDSP consists of a two-tiered approach to screen chemicals for potential endocrine disrupting...

Chemical Weapons Disposal: Improvements Needed in Program Accountability and Financial Management

DTIC Science & Technology

2000-05-01

United States General Accounting Office PAQ Report to Congressional Committees May 2000 CHEMICAL WEAPONS DISPOSAL Improvements Needed in Program...warfare materiel, and former production facilities and identify and locate buried chemical warfare materiel. Alternative Technologies and Approaches...production facilities, and buried chemical warfare materiel. These items are described in table 1. Table 1: Nonstockpile Chemical Materiel Category

Major accident prevention through applying safety knowledge management approach.

PubMed

Kalatpour, Omid

2016-01-01

Many scattered resources of knowledge are available to use for chemical accident prevention purposes. The common approach to management process safety, including using databases and referring to the available knowledge has some drawbacks. The main goal of this article was to devise a new emerged knowledge base (KB) for the chemical accident prevention domain. The scattered sources of safety knowledge were identified and scanned. Then, the collected knowledge was formalized through a computerized program. The Protégé software was used to formalize and represent the stored safety knowledge. The domain knowledge retrieved as well as data and information. This optimized approach improved safety and health knowledge management (KM) process and resolved some typical problems in the KM process. Upgrading the traditional resources of safety databases into the KBs can improve the interaction between the users and knowledge repository.

GTKDynamo: a PyMOL plug-in for QC/MM hybrid potential simulations

PubMed Central

Bachega, José Fernando R.; Timmers, Luís Fernando S.M.; Assirati, Lucas; Bachega, Leonardo R.; Field, Martin J.; Wymore, Troy

2014-01-01

Hybrid quantum chemical (QC)/molecular mechanical (MM) potentials are very powerful tools for molecular simulation. They are especially useful for studying processes in condensed phase systems, such as chemical reactions, that involve a relatively localized change in electronic structure and where the surrounding environment contributes to these changes but can be represented with more computationally efficient functional forms. Despite their utility, however, these potentials are not always straightforward to apply since the extent of significant electronic structure changes occurring in the condensed phase process may not be intuitively obvious. To facilitate their use we have developed an open-source graphical plug-in, GTKDynamo, that links the PyMOL visualization program and the pDynamo QC/MM simulation library. This article describes the implementation of GTKDynamo and its capabilities and illustrates its application to QC/MM simulations. PMID:24137667

Thermochronological evolution of an intra-plate magmatic event inferred from an integrated modeling approach: A case study in the Westerwald, Germany

NASA Astrophysics Data System (ADS)

Tirone, M.; Rokitta, K.; Schreiber, U.

2016-09-01

A lava sample from the Tertiary Westerwald volcanic field was selected for a detailed study using various analytical techniques in combination with petrological, thermodynamic and diffusion modeling to extract information related to the thermochronological evolution of a magmatic event before eruption. The lava sample contains large olivine phenocrysts which are compositionally zoned and two coexisting but chemically distinct melts, a host melt with basaltic composition and small spherical pockets of a less abundant trachytic melt (globules). The sample was analyzed by electron microprobe, x-ray fluorescence (XRF) X-ray diffraction (XRD) and electron backscatter diffraction (EBSD). The primary melt of the host lava was determined using the program PRIMELT2.XLS. Partial fractional crystallization of olivine was modeled using the program alphaMELTS. Timescale and cooling rate were retrieved by fitting the measured Fe-Mg zoning along two directions in four olivine grains from the host lava using a 3-D numerical diffusion model. The measured variation of Ca is also consistent with a chemical diffusion process, while a numerical growth model applied to the same olivines does not appear to explain the Fe-Mg zoning. Chemical zoning of major elements in the melt globules were reproduced with a multicomponent diffusion model. The results of this study show that the host magma fractionated about 9% of olivine in a first stage, then the crystallization proceeded without further separation of mineral phases. Modeling of diffusion in the olivine crystals suggests that this second stage lasted at least 5 yrs and the temperature of the melt decreased from 1120-1150 °C to 1090 °C during this time. According to the results of the multicomponent diffusion model applied to the melt globules, the coexistence of the two melts was extremely short (less than few hours), possibly recording the assimilation of the globules during eruption or cooling of the whole system on the surface.

40 CFR 63.11588 - What definitions apply to this subpart?

Code of Federal Regulations, 2012 CFR

2012-07-01

... (CONTINUED) National Emission Standards for Hazardous Air Pollutants for Area Sources: Chemical Preparations Industry Other Requirements and Information § 63.11588 What definitions apply to this subpart? Chemical... by the paints and allied products area source rule (40 CFR part 63, subpart CCCCCCC). Chemical...

40 CFR 63.11588 - What definitions apply to this subpart?

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) National Emission Standards for Hazardous Air Pollutants for Area Sources: Chemical Preparations Industry Other Requirements and Information § 63.11588 What definitions apply to this subpart? Chemical... by the paints and allied products area source rule (40 CFR part 63, subpart CCCCCCC). Chemical...

40 CFR 63.11588 - What definitions apply to this subpart?

Code of Federal Regulations, 2010 CFR

2010-07-01

... (CONTINUED) National Emission Standards for Hazardous Air Pollutants for Area Sources: Chemical Preparations Industry Other Requirements and Information § 63.11588 What definitions apply to this subpart? Chemical... by the paints and allied products area source rule (40 CFR part 63, subpart CCCCCCC). Chemical...

Fast and direct screening of copper in micro-volumes of distilled alcoholic beverages by high-resolution continuum source graphite furnace atomic absorption spectrometry.

PubMed

Ajtony, Zsolt; Laczai, Nikoletta; Dravecz, Gabriella; Szoboszlai, Norbert; Marosi, Áron; Marlok, Bence; Streli, Christina; Bencs, László

2016-12-15

HR-CS-GFAAS methods were developed for the fast determination of Cu in domestic and commercially available Hungarian distilled alcoholic beverages (called pálinka), in order to decide if their Cu content exceeds the permissible limit, as legislated by the WHO. Some microliters of samples were directly dispensed into the atomizer. Graphite furnace heating programs, effects/amounts of the Pd modifier, alternative wavelengths (e.g., Cu I 249.2146nm), external calibration and internal standardization methods were studied. Applying a fast graphite furnace heating program without any chemical modifier, the Cu content of a sample could be quantitated within 1.5min. The detection limit of the method is 0.03mg/L. Calibration curves are linear up to 10-15mg/L Cu. Spike-recoveries ranged from 89% to 119% with an average of 100.9±8.5%. Internal calibration could be applied with the assistance of Cr, Fe, and/or Rh standards. The accuracy of the GFAAS results was verified by TXRF analyses. Copyright © 2016 Elsevier Ltd. All rights reserved.

Consensus models to predict endocrine disruption for all ...

EPA Pesticide Factsheets

Humans are potentially exposed to tens of thousands of man-made chemicals in the environment. It is well known that some environmental chemicals mimic natural hormones and thus have the potential to be endocrine disruptors. Most of these environmental chemicals have never been tested for their ability to disrupt the endocrine system, in particular, their ability to interact with the estrogen receptor. EPA needs tools to prioritize thousands of chemicals, for instance in the Endocrine Disruptor Screening Program (EDSP). Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) was intended to be a demonstration of the use of predictive computational models on HTS data including ToxCast and Tox21 assays to prioritize a large chemical universe of 32464 unique structures for one specific molecular target – the estrogen receptor. CERAPP combined multiple computational models for prediction of estrogen receptor activity, and used the predicted results to build a unique consensus model. Models were developed in collaboration between 17 groups in the U.S. and Europe and applied to predict the common set of chemicals. Structure-based techniques such as docking and several QSAR modeling approaches were employed, mostly using a common training set of 1677 compounds provided by U.S. EPA, to build a total of 42 classification models and 8 regression models for binding, agonist and antagonist activity. All predictions were evaluated on ToxCast data and on an exte

Use of in Vitro HTS-Derived Concentration-Response Data as ...

EPA Pesticide Factsheets

Background: Quantitative high-throughput screening (qHTS) assays are increasingly being employed to inform chemical hazard identification. Hundreds of chemicals have been tested in dozens of cell lines across extensive concentration ranges by the National Toxicology Program in collaboration with the NIH Chemical Genomics Center. Objectives: To test a hypothesis that dose-response data points of the qHTS assays can serve as biological descriptors of assayed chemicals and, when combined with conventional chemical descriptors, may improve the accuracy of Quantitative Structure-Activity Relationship (QSAR) models applied to prediction of in vivo toxicity endpoints. Methods and Results: The cell viability qHTS concentration-response data for 1,408 substances assayed in 13 cell lines were obtained from PubChem; for a subset of these compounds rodent acute toxicity LD50 data were also available. The classification k Nearest Neighbor and Random Forest QSAR methods were employed for modeling LD50 data using either chemical descriptors alone (conventional models) or in combination with biological descriptors derived from the concentration-response qHTS data (hybrid models). Critical to our approach was the use of a novel noise-filtering algorithm to treat qHTS data. We show that both the external classification accuracy and coverage (i.e., fraction of compounds in the external set that fall within the applicability domain) of the hybrid QSAR models was superior to convent

Method for distributing chemicals through a fibrous material using low-headspace dielectric heating

DOEpatents

Banerjee, Sujit; Malcolm, Earl

2002-01-01

System and method for diffusing chemicals rapidly and evenly into and through fibrous material, such as wood. Chemicals are introduced into the fibrous material by applying the chemicals to the fibrous material. After treating the fibrous material with the chemicals, the fibrous material is maintained under low-headspace conditions. Thermal energy or dielectric heating, such as microwave or radio frequency energy, is applied to the fibrous material. As a result, the chemicals are able to distribute evenly and quickly throughout the fibrous material.

Bounds on stochastic chemical kinetic systems at steady state

NASA Astrophysics Data System (ADS)

Dowdy, Garrett R.; Barton, Paul I.

2018-02-01

The method of moments has been proposed as a potential means to reduce the dimensionality of the chemical master equation (CME) appearing in stochastic chemical kinetics. However, attempts to apply the method of moments to the CME usually result in the so-called closure problem. Several authors have proposed moment closure schemes, which allow them to obtain approximations of quantities of interest, such as the mean molecular count for each species. However, these approximations have the dissatisfying feature that they come with no error bounds. This paper presents a fundamentally different approach to the closure problem in stochastic chemical kinetics. Instead of making an approximation to compute a single number for the quantity of interest, we calculate mathematically rigorous bounds on this quantity by solving semidefinite programs. These bounds provide a check on the validity of the moment closure approximations and are in some cases so tight that they effectively provide the desired quantity. In this paper, the bounded quantities of interest are the mean molecular count for each species, the variance in this count, and the probability that the count lies in an arbitrary interval. At present, we consider only steady-state probability distributions, intending to discuss the dynamic problem in a future publication.

Factors Influencing NO2 Adsorption/Reduction on Microporous Activated Carbon: Porosity vs. Surface Chemistry

PubMed Central

Ghouma, Imen; Limousy, Lionel; Bennici, Simona

2018-01-01

The textural properties and surface chemistry of different activated carbons, prepared by the chemical activation of olive stones, have been investigated in order to gain insight on the NO2 adsorption mechanism. The parent chemical activated carbon was prepared by the impregnation of olive stones in phosphoric acid followed by thermal carbonization. Then, the textural properties and surface chemistry were modified by chemical treatments including nitric acid, sodium hydroxide and/or a thermal treatment at 900 °C. The main properties of the parent and modified activated carbons were analyzed by N2-adsorption, scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FTIR) techniques, in order to enlighten the modifications issued from the chemical and thermal treatments. The NO2 adsorption capacities of the different activated carbons were measured in fixed bed experiments under 500 ppmv NO2 concentrations at room temperature. Temperature programmed desorption (TPD) was applied after adsorption tests in order to quantify the amount of the physisorbed and chemisorbed NO2. The obtained results showed that the development of microporosity, the presence of oxygen-free sites, and the presence of basic surface groups are key factors for the efficient adsorption of NO2. PMID:29670008

Bioelectrochemical Integration of Waste Heat Recovery, Waste-to- Energy Conversion, and Waste-to-Chemical Conversion with Industrial Gas and Chemical Manufacturing Processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mac Dougall, James

2016-02-05

Many U.S. manufacturing facilities generate unrecovered, low-grade waste heat, and also generate or are located near organic-content waste effluents. Bioelectrochemical systems, such as microbial fuel cells and microbial electrolysis cells, provide a means to convert organic-content effluents into electric power and useful chemical products. A novel biochemical electrical system for industrial manufacturing processes uniquely integrates both waste heat recovery and waste effluent conversion, thereby significantly reducing manufacturing energy requirements. This project will enable the further development of this technology so that it can be applied across a wide variety of US manufacturing segments, including the chemical, food, pharmaceutical, refinery, andmore » pulp and paper industries. It is conservatively estimated that adoption of this technology could provide nearly 40 TBtu/yr of energy, or more than 1% of the U.S. total industrial electricity use, while reducing CO 2 emissions by more than 6 million tons per year. Commercialization of this technology will make a significant contribution to DOE’s Industrial Technology Program goals for doubling energy efficiency and providing a more robust and competitive domestic manufacturing base.« less

40 CFR 152.408 - Special considerations.

Code of Federal Regulations, 2013 CFR

2013-07-01

... charged the full new chemical registration review fee. (b) If two or more applicants apply for a new... registration review fee for one product and one old chemical registration review fee for each additional...) If two or more applicants apply for a new chemical registration for products having the same active...

40 CFR 152.408 - Special considerations.

Code of Federal Regulations, 2012 CFR

2012-07-01

... charged the full new chemical registration review fee. (b) If two or more applicants apply for a new... registration review fee for one product and one old chemical registration review fee for each additional...) If two or more applicants apply for a new chemical registration for products having the same active...

40 CFR 152.408 - Special considerations.

Code of Federal Regulations, 2010 CFR

2010-07-01

... charged the full new chemical registration review fee. (b) If two or more applicants apply for a new... registration review fee for one product and one old chemical registration review fee for each additional...) If two or more applicants apply for a new chemical registration for products having the same active...

40 CFR 152.408 - Special considerations.

Code of Federal Regulations, 2011 CFR

2011-07-01

... charged the full new chemical registration review fee. (b) If two or more applicants apply for a new... registration review fee for one product and one old chemical registration review fee for each additional...) If two or more applicants apply for a new chemical registration for products having the same active...

40 CFR 152.408 - Special considerations.

Code of Federal Regulations, 2014 CFR

2014-07-01

... charged the full new chemical registration review fee. (b) If two or more applicants apply for a new... registration review fee for one product and one old chemical registration review fee for each additional...) If two or more applicants apply for a new chemical registration for products having the same active...

Modelling the effect of structural QSAR parameters on skin penetration using genetic programming

NASA Astrophysics Data System (ADS)

Chung, K. K.; Do, D. Q.

2010-09-01

In order to model relationships between chemical structures and biological effects in quantitative structure-activity relationship (QSAR) data, an alternative technique of artificial intelligence computing—genetic programming (GP)—was investigated and compared to the traditional method—statistical. GP, with the primary advantage of generating mathematical equations, was employed to model QSAR data and to define the most important molecular descriptions in QSAR data. The models predicted by GP agreed with the statistical results, and the most predictive models of GP were significantly improved when compared to the statistical models using ANOVA. Recently, artificial intelligence techniques have been applied widely to analyse QSAR data. With the capability of generating mathematical equations, GP can be considered as an effective and efficient method for modelling QSAR data.

Evaluation of selected biomarkers for the detection of chemical sensitization in human skin: a comparative study applying THP-1, MUTZ-3 and primary dendritic cells in culture.

PubMed

Hitzler, Manuel; Bergert, Antje; Luch, Andreas; Peiser, Matthias

2013-09-01

Dendritic cells (DCs) exhibit the unique capacity to induce T cell differentiation and proliferation, two processes that are crucially involved in allergic reactions. By combining the exclusive potential of DCs as the only professional antigen-presenting cells of the human body with the well known handling advantages of cell lines, cell-based alternative methods aimed at detecting chemical sensitization in vitro commonly apply DC-like cells derived from myeloid cell lines. Here, we present the new biomarkers programmed death-ligand 1 (PD-L1), DC immunoreceptor (DCIR), IL-16, and neutrophil-activating protein-2 (NAP-2), all of which have been detectable in primary human DCs upon exposure to chemical contact allergens. To evaluate the applicability of DC-like cells in the prediction of a chemical's sensitization potential, the expression of cell surface PD-L1 and DCIR was analyzed. In contrast to primary DCs, only minor subpopulations of MUTZ-3 and THP-1 cells presented PD-L1 or DCIR at their surface. After exposure to increasing concentrations of nickel and cinnamic aldehyde, the expression level of PD-L1 and DCIR revealed much stronger affected on monocyte-derived DCs (MoDCs) or Langerhans cells (MoLCs) when compared to THP-1 and MUTZ-3 cells. Applying protein profiler arrays we further identified the soluble factors NAP-2, IL-16, IL-8 and MIP-1α as sensitive biomarkers showing the capacity to discriminate sensitizing from non-sensitizing chemicals or irritants. An allergen-specific release of IL-8 and MIP-1α could be detected in the supernatants of MoDCs and MoLCs and also in MUTZ-3 and THP-1 cells, though at much lower levels. On the protein and transcriptional level, NAP-2 and IL-16 indicated sensitizers most sensitively and specifically in MoDCs. Altogether, we have proven the reciprocal regulated surface molecules PD-L1 and DCIR and the soluble factors MIP-1α, NAP-2 and IL-16 as reliable biomarkers for chemical sensitization. We further show that primary DCs are significantly different in their phenotype and function compared to DC-like cell lines. Since they demonstrated higher absolute values and a broader range in biomarker expression, we propose that MoDCs represent an optimal and robust sensor test system well suited to identify and classify chemicals with an allergic potential. Copyright © 2013 Elsevier Ltd. All rights reserved.

Predicting the Future: Opportunities and Challenges for the Chemical Industry to Apply 21st-Century Toxicity Testing

PubMed Central

Settivari, Raja S; Ball, Nicholas; Murphy, Lynea; Rasoulpour, Reza; Boverhof, Darrell R; Carney, Edward W

2015-01-01

Interest in applying 21st-century toxicity testing tools for safety assessment of industrial chemicals is growing. Whereas conventional toxicology uses mainly animal-based, descriptive methods, a paradigm shift is emerging in which computational approaches, systems biology, high-throughput in vitro toxicity assays, and high-throughput exposure assessments are beginning to be applied to mechanism-based risk assessments in a time- and resource-efficient fashion. Here we describe recent advances in predictive safety assessment, with a focus on their strategic application to meet the changing demands of the chemical industry and its stakeholders. The opportunities to apply these new approaches is extensive and include screening of new chemicals, informing the design of safer and more sustainable chemical alternatives, filling information gaps on data-poor chemicals already in commerce, strengthening read-across methodology for categories of chemicals sharing similar modes of action, and optimizing the design of reduced-risk product formulations. Finally, we discuss how these predictive approaches dovetail with in vivo integrated testing strategies within repeated-dose regulatory toxicity studies, which are in line with 3Rs principles to refine, reduce, and replace animal testing. Strategic application of these tools is the foundation for informed and efficient safety assessment testing strategies that can be applied at all stages of the product-development process. PMID:25836969

Reviewing New Chemicals under the Toxic Substances Control Act (TSCA)

EPA Pesticide Factsheets

This microsite will provide information on how EPA’s new chemicals review program works, on the assessment tools and policies EPA uses in this program, and on the regulatory outcomes of EPA’s review of new chemicals notifications.

Modifications to an interactive model of the human body during exercise: With special emphasis on thermoregulation. M.S. Thesis

NASA Technical Reports Server (NTRS)

Scherb, Megan Kay

1993-01-01

Since 1988 an interactive computer model of the human body during exercise has been under development by a number of undergraduate students in the Department of Chemical Engineering at Iowa State University. The program, written under the direction of Dr. Richard C. Seagrave, uses physical characteristics of the user, environmental conditions and activity information to predict the onset of hypothermia, hyperthermia, dehydration, or exhaustion for various levels and durations of a specified exercise. The program however, was severely limited in predicting the onset of dehydration due to the lack of sophistication with which the program predicts sweat rate and its relationship to sensible water loss, degree of acclimatization, and level of physical training. Additionally, it was not known whether sweat rate also depended on age and gender. For these reasons, the goal of this creative component was to modify the program in the above mentioned areas by applying known information and empirical relationships from literature. Furthermore, a secondary goal was to improve the consistency with which the program was written by modifying user input statements and improving the efficiency and logic of the program calculations.

Hazard identification by methods of animal-based toxicology.

PubMed

Barlow, S M; Greig, J B; Bridges, J W; Carere, A; Carpy, A J M; Galli, C L; Kleiner, J; Knudsen, I; Koëter, H B W M; Levy, L S; Madsen, C; Mayer, S; Narbonne, J-F; Pfannkuch, F; Prodanchuk, M G; Smith, M R; Steinberg, P

2002-01-01

This paper is one of several prepared under the project "Food Safety In Europe: Risk Assessment of Chemicals in Food and Diet" (FOSIE), a European Commission Concerted Action Programme, organised by the International Life Sciences Institute, Europe (ILSI). The aim of the FOSIE project is to review the current state of the science of risk assessment of chemicals in food and diet, by consideration of the four stages of risk assessment, that is, hazard identification, hazard characterisation, exposure assessment and risk characterisation. The contribution of animal-based methods in toxicology to hazard identification of chemicals in food and diet is discussed. The importance of first applying existing technical and chemical knowledge to the design of safety testing programs for food chemicals is emphasised. There is consideration of the presently available and commonly used toxicity testing approaches and methodologies, including acute and repeated dose toxicity, reproductive and developmental toxicity, neurotoxicity, genotoxicity, carcinogenicity, immunotoxicity and food allergy. They are considered from the perspective of whether they are appropriate for assessing food chemicals and whether they are adequate to detect currently known or anticipated hazards from food. Gaps in knowledge and future research needs are identified; research on these could lead to improvements in the methods of hazard identification for food chemicals. The potential impact of some emerging techniques and toxicological issues on hazard identification for food chemicals, such as new measurement techniques, the use of transgenic animals, assessment of hormone balance and the possibilities for conducting studies in which common human diseases have been modelled, is also considered.

Quantifying human susceptibility to contact sensitization; risk assessments now and in the future.

PubMed

Friedmann, Peter S; Pickard, Christopher

2010-11-01

Assessment and quantification of the risk that a chemical will induce allergic contact sensitization presently depend heavily on background data from animal tests. Following the banning of animal testing of chemicals used in cosmetics and personal products in Europe after 2013, alternative approaches will be required. The chemical properties likely to make a given compound a sensitizer can be determined in vitro with reasonable certainty, but confirmation that it is a sensitizer comes only from in vivo exposure to it. Assessment of the sensitization risks involves consideration of how much of the compound will be applied to skin, for how long, and at which sites. However, the in vivo interactions of the chemical with the skin, with regard to its permeability, and biochemical and immune defences, cannot be predicted from a theoretical position. The xenobiotic-metabolizing enzymes and antioxidant defences may degrade chemicals or may generate potentially immunogenic haptens. Many factors can modify the skin and the immune response, including sex, race, age, genetic programming of epidermal permeability, and/or antioxidant and drug-metabolizing pathways. The only certain way to evaluate whether a chemical will sensitize is in vivo exposure, and the nature of the hazard is revealed by determination of the dose-response relationship. This review shows there is still a serious gap in our understanding of the biological factors and variables involved in conferring resistance or susceptibility to the development of allergic sensitization by chemicals. We are not yet in a position to predict sensitization by chemicals from a theoretical starting point. © 2010 John Wiley & Sons A/S.

Toxicity of chemicals commonly used in Indonesian vegetable crops to Liriomyza huidobrensis populations and the Indonesian parasitoids Hemiptarsenus varicornis, Opius sp., and Gronotoma micromorpha, as well as the Australian parasitoids Hemiptarsenus varicornis and Diglyphus isaea.

PubMed

Prijono, Djoko; Robinson, Michelle; Rauf, Aunu; Bjorksten, Tracey; Hoffmann, Ary A

2004-08-01

Liriomyza huidobrensis (Blanchard) and Liriomyza sativae (Blanchard) are important pests of vegetable crops in Indonesia and are likely to spread to neighboring countries. Three pesticides (dimehypo, abamectin, and cyromazine) are currently used to control these pests, but there is little information on their effectiveness against field populations and on their impact on parasitoids controlling Liriomyza species. The toxicity of these chemicals to L. huidobrensis and three common parasitoids (Hemiptarsenus varicornis Gerault, Opius sp., and Gronotoma micromorpha Perkins) was therefore evaluated in Indonesia with mortality laboratory assays. All three chemicals were effective against larvae of three populations of L. huidobrensis with different histories of chemical exposure. Dimehypo caused mortality in adult Opius sp., G. micromorpha, and H. varicornis, whereas abamectin was toxic only at concentrations substantially higher than the field rate. Cyromazine did not influence survival of the parasitoids. A commonly used fungicide, mancozeb, had no impact on parasitoid mortality. Trials were repeated with a strain of H. varicornis from Australia and a different parasitoid (Diglyphus isaea) recently found in Australia. Neither parasitoid was influenced by mancozeb or cyromazine. Abamectin applied at field rates caused some mortality among the adults of both species, but was less toxic than chlorpyrifos. Abamectin produced lower LC50s against Australian H. varicornis than against Indonesian H. varicornis. These results suggest that cyromazine can be incorporated into Liriomyza control programs in Indonesia that conserve parasitoids, whereas dimehypo and abamectin need to be used cautiously. Local Australian parasitoids should help control L. huidobrensis as long as only cyromazine and nontoxic fungicides are applied.

77 FR 74678 - Chemical Security Assessment Tool (CSAT)

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-17

...), National Protection and Programs Directorate (NPPD), Office of Infrastructure Protection (IP.../IP/ISCD Chemical Facility Anti-Terrorism Standards Program Manager, 245 Murray Lane SW., Mail Stop... should be appropriately marked and submitted by mail to the DHS/NPPD/IP/ISCD Chemical Facility Anti...

Computational toxicology as implemented by the U.S. EPA: providing high throughput decision support tools for screening and assessing chemical exposure, hazard and risk.

PubMed

Kavlock, Robert; Dix, David

2010-02-01

Computational toxicology is the application of mathematical and computer models to help assess chemical hazards and risks to human health and the environment. Supported by advances in informatics, high-throughput screening (HTS) technologies, and systems biology, the U.S. Environmental Protection Agency EPA is developing robust and flexible computational tools that can be applied to the thousands of chemicals in commerce, and contaminant mixtures found in air, water, and hazardous-waste sites. The Office of Research and Development (ORD) Computational Toxicology Research Program (CTRP) is composed of three main elements. The largest component is the National Center for Computational Toxicology (NCCT), which was established in 2005 to coordinate research on chemical screening and prioritization, informatics, and systems modeling. The second element consists of related activities in the National Health and Environmental Effects Research Laboratory (NHEERL) and the National Exposure Research Laboratory (NERL). The third and final component consists of academic centers working on various aspects of computational toxicology and funded by the U.S. EPA Science to Achieve Results (STAR) program. Together these elements form the key components in the implementation of both the initial strategy, A Framework for a Computational Toxicology Research Program (U.S. EPA, 2003), and the newly released The U.S. Environmental Protection Agency's Strategic Plan for Evaluating the Toxicity of Chemicals (U.S. EPA, 2009a). Key intramural projects of the CTRP include digitizing legacy toxicity testing information toxicity reference database (ToxRefDB), predicting toxicity (ToxCast) and exposure (ExpoCast), and creating virtual liver (v-Liver) and virtual embryo (v-Embryo) systems models. U.S. EPA-funded STAR centers are also providing bioinformatics, computational toxicology data and models, and developmental toxicity data and models. The models and underlying data are being made publicly available through the Aggregated Computational Toxicology Resource (ACToR), the Distributed Structure-Searchable Toxicity (DSSTox) Database Network, and other U.S. EPA websites. While initially focused on improving the hazard identification process, the CTRP is placing increasing emphasis on using high-throughput bioactivity profiling data in systems modeling to support quantitative risk assessments, and in developing complementary higher throughput exposure models. This integrated approach will enable analysis of life-stage susceptibility, and understanding of the exposures, pathways, and key events by which chemicals exert their toxicity in developing systems (e.g., endocrine-related pathways). The CTRP will be a critical component in next-generation risk assessments utilizing quantitative high-throughput data and providing a much higher capacity for assessing chemical toxicity than is currently available.

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects.

PubMed

Lagorce, David; Sperandio, Olivier; Galons, Hervé; Miteva, Maria A; Villoutreix, Bruno O

2008-09-24

Drug discovery and chemical biology are exceedingly complex and demanding enterprises. In recent years there are been increasing awareness about the importance of predicting/optimizing the absorption, distribution, metabolism, excretion and toxicity (ADMET) properties of small chemical compounds along the search process rather than at the final stages. Fast methods for evaluating ADMET properties of small molecules often involve applying a set of simple empirical rules (educated guesses) and as such, compound collections' property profiling can be performed in silico. Clearly, these rules cannot assess the full complexity of the human body but can provide valuable information and assist decision-making. This paper presents FAF-Drugs2, a free adaptable tool for ADMET filtering of electronic compound collections. FAF-Drugs2 is a command line utility program (e.g., written in Python) based on the open source chemistry toolkit OpenBabel, which performs various physicochemical calculations, identifies key functional groups, some toxic and unstable molecules/functional groups. In addition to filtered collections, FAF-Drugs2 can provide, via Gnuplot, several distribution diagrams of major physicochemical properties of the screened compound libraries. We have developed FAF-Drugs2 to facilitate compound collection preparation, prior to (or after) experimental screening or virtual screening computations. Users can select to apply various filtering thresholds and add rules as needed for a given project. As it stands, FAF-Drugs2 implements numerous filtering rules (23 physicochemical rules and 204 substructure searching rules) that can be easily tuned.

An Operational Safety and Health Program.

ERIC Educational Resources Information Center

Uhorchak, Robert E.

1983-01-01

Describes safety/health program activities at Research Triangle Institute (North Carolina). These include: radioisotope/radiation and hazardous chemical/carcinogen use, training, monitoring, disposal; chemical waste management; air monitoring and analysis; medical program; fire safety/training, including emergency planning; Occupational Safety and…

Upper Limits for Power Yield in Thermal, Chemical, and Electrochemical Systems

NASA Astrophysics Data System (ADS)

Sieniutycz, Stanislaw

2010-03-01

We consider modeling and power optimization of energy converters, such as thermal, solar and chemical engines and fuel cells. Thermodynamic principles lead to expressions for converter's efficiency and generated power. Efficiency equations serve to solve the problems of upgrading or downgrading a resource. Power yield is a cumulative effect in a system consisting of a resource, engines, and an infinite bath. While optimization of steady state systems requires using the differential calculus and Lagrange multipliers, dynamic optimization involves variational calculus and dynamic programming. The primary result of static optimization is the upper limit of power, whereas that of dynamic optimization is a finite-rate counterpart of classical reversible work (exergy). The latter quantity depends on the end state coordinates and a dissipation index, h, which is the Hamiltonian of the problem of minimum entropy production. In reacting systems, an active part of chemical affinity constitutes a major component of the overall efficiency. The theory is also applied to fuel cells regarded as electrochemical flow engines. Enhanced bounds on power yield follow, which are stronger than those predicted by the reversible work potential.

Advanced thermally stable jet fuels. Technical progress report, January 1995--March 1995

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schobert, H.H.; Eser, S.; Song, C.

Quantitative structure-property relationships have been applied to study the thermal stability of pure hydrocarbons typical of jet fuel components. A simple method of chemical structure description in terms of Benson groups was tested in searching for structure-property relationships for the hydrocarbons tested experimentally in this program. Molecular connectivity as a structure-based approach to chemical structure-property relationship analysis was also tested. Further development of both the experimental data base and computational methods will be necessary. Thermal decomposition studies, using glass tube reactors, were extended to two additional model compounds: n-decane and n-dodecane. Efforts on refining the deposit growth measurement and characterizationmore » of suspended matter in stressed fuels have lead to improvements in the analysis of stressed fuels. Catalytic hydrogenation and dehydrogenation studies utilizing a molybdenum sulfide catalyst are also described.« less

Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology

NASA Astrophysics Data System (ADS)

Sushko, Gennady B.; Solov'yov, Ilia A.; Verkhovtsev, Alexey V.; Volkov, Sergey N.; Solov'yov, Andrey V.

2016-01-01

The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations of systems with dynamically changing molecular topologies. The implementation of the modified force field was carried out in the popular program MBN Explorer, and, to support the development, we provide several illustrative case studies where dynamical topology is necessary. In particular, it is shown that the modified molecular mechanics force field can be applied for studying processes where rupture of chemical bonds plays an essential role, e.g., in irradiation- or collision-induced damage, and also in transformation and fragmentation processes involving biomolecular systems. Contribution to the Topical Issue "COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy", edited by Andrey V. Solov'yov, Nigel Mason, Gustavo Garcia and Eugene Surdutovich.

Standard Review Risk Assessment on Medium-chain and Long-chain Chlorinated paraffin PMN submissions by Qualice, LLC

EPA Pesticide Factsheets

This assessment was conducted under EPA’s TSCA Section 5 New Chemicals Program. EPA is assessing Medium-chain Chlorinated Paraffin (MCCP) and Long-Chain Chlorinated Paraffin (LCCP) chemicals as part of its New Chemicals Review program.

EPA'S TOXCAST PROGRAM FOR PREDICTING TOXICITY AND PRIORITIZING ENVIRONMENTAL CHEMICALS

EPA Science Inventory

ToxCast is a research program to predict or forecast toxicity by evaluating a broad spectrum of chemicals and effects; physical-chemical properties, predicted bioactivities, HTS and cell-based assays, and genomics. Data will be interpretively linked to known or predicted toxicol...

The Combined Release and Radiation Effects Satellite (CRRES) program: A unique series of scientific experiments

NASA Technical Reports Server (NTRS)

Reasoner, David L.; Mccook, Morgan W. (Editor); Vaughan, William W. (Editor)

1990-01-01

The Defense Department and NASA have joined in a program to study the space environment which surrounds the earth and the effects of space radiation on modern satellite electronic systems. The Combined Release and Radiation Effects Satellite (CRRES) will carry an array of active experiments including chemical releases and a complement of sophisticated scientific instruments to accomplish these objectives. Other chemical release active experiments will be performed with sub-orbital rocket probes. The chemical releases will 'paint' the magnetic and electric fields of earthspace with clouds of glowing ions. Earthspace will be a laboratory, and the releases will be studied with an extensive network of ground-, aircraft-, and satellite-based diagnostic instruments. Some of the topics discussed include the following: the effects of earthspace; the need for active experiments; types of chemical releases; the CRRES program schedule; international support and coordinated studies; photographing chemical releases; information on locating chemical releases for observation by the amateur; and CRRES as a program.

The Combined Release and Radiation Effects Satellite (CRRES) program: A unique series of scientific experiments

NASA Astrophysics Data System (ADS)

Reasoner, David L.; McCook, Morgan W.; Vaughan, William W.

The Defense Department and NASA have joined in a program to study the space environment which surrounds the earth and the effects of space radiation on modern satellite electronic systems. The Combined Release and Radiation Effects Satellite (CRRES) will carry an array of active experiments including chemical releases and a complement of sophisticated scientific instruments to accomplish these objectives. Other chemical release active experiments will be performed with sub-orbital rocket probes. The chemical releases will 'paint' the magnetic and electric fields of earthspace with clouds of glowing ions. Earthspace will be a laboratory, and the releases will be studied with an extensive network of ground-, aircraft-, and satellite-based diagnostic instruments. Some of the topics discussed include the following: the effects of earthspace; the need for active experiments; types of chemical releases; the CRRES program schedule; international support and coordinated studies; photographing chemical releases; information on locating chemical releases for observation by the amateur; and CRRES as a program.

Applying Crowd Psychology to Develop Recommendations for the Management of Mass Decontamination

PubMed Central

Drury, John; Rubin, G. James; Williams, Richard; Amlôt, Richard

2015-01-01

Mass decontamination is a public health intervention employed by emergency responders following a chemical, biological, or radiological release. It involves a crowd of people whose interactions with each other and with the emergency responders managing the incident are likely to affect the success of the decontamination process. The way in which members of the public collectively experience decontamination is likely to affect their behavior and hence is crucial to the success of the decontamination process. Consequently, responders and the responsible authorities need to understand crowd psychology during mass emergencies and disasters. Recently, the social identity approach to crowd psychology has been applied to explain public perceptions and behavior during mass emergencies. This approach emphasizes that crowd events are characteristically intergroup encounters, in which the behavior of one group can affect the perceptions and behavior of another. We summarize the results from a program of research in which the social identity approach was applied to develop and test recommendations for the management of mass decontamination. The findings from this program of research show that (1) responders' perceptions of crowd behavior matter; (2) participants value greater communication and this affects their compliance; and (3) social identity processes explain the relationship between effective responder communication and relevant outcome variables, such as public compliance, public cooperation, and public anxiety. Based on this program of research, we recommend 4 responder management strategies that focus on increasing public compliance, increasing orderly and cooperative behavior among members of the public, reducing public anxiety, and respecting public needs for privacy. PMID:25812428

Applying crowd psychology to develop recommendations for the management of mass decontamination.

PubMed

Carter, Holly; Drury, John; Rubin, G James; Williams, Richard; Amlôt, Richard

2015-01-01

Mass decontamination is a public health intervention employed by emergency responders following a chemical, biological, or radiological release. It involves a crowd of people whose interactions with each other and with the emergency responders managing the incident are likely to affect the success of the decontamination process. The way in which members of the public collectively experience decontamination is likely to affect their behavior and hence is crucial to the success of the decontamination process. Consequently, responders and the responsible authorities need to understand crowd psychology during mass emergencies and disasters. Recently, the social identity approach to crowd psychology has been applied to explain public perceptions and behavior during mass emergencies. This approach emphasizes that crowd events are characteristically intergroup encounters, in which the behavior of one group can affect the perceptions and behavior of another. We summarize the results from a program of research in which the social identity approach was applied to develop and test recommendations for the management of mass decontamination. The findings from this program of research show that (1) responders' perceptions of crowd behavior matter; (2) participants value greater communication and this affects their compliance; and (3) social identity processes explain the relationship between effective responder communication and relevant outcome variables, such as public compliance, public cooperation, and public anxiety. Based on this program of research, we recommend 4 responder management strategies that focus on increasing public compliance, increasing orderly and cooperative behavior among members of the public, reducing public anxiety, and respecting public needs for privacy.

The use and acceptance of Other Scientifically Relevant Information (OSRI) in the U.S. Environmental Protection Agency (EPA) Endocrine Disruptor Screening Program.

PubMed

Bishop, Patricia L; Willett, Catherine E

2014-02-01

The U.S. Environmental Protection Agency (EPA) Endocrine Disruptor Screening Program (EDSP) currently relies on an initial screening battery (Tier 1) consisting of five in vitro and six in vivo assays to evaluate a chemical's potential to interact with the endocrine system. Chemical companies may request test waivers based on Other Scientifically Relevant Information (OSRI) that is functionally equivalent to data gathered in the screening battery or that provides information on a potential endocrine effect. Respondents for 47 of the first 67 chemicals evaluated in the EDSP submitted OSRI in lieu of some or all Tier 1 tests, seeking 412 waivers, of which EPA granted only 93. For 20 of the 47 chemicals, EPA denied all OSRI and required the entire Tier 1 battery. Often, the OSRI accepted was either identical to data generated by the Tier 1 assay or indicated a positive result. Although identified as potential sources of OSRI in EPA guidance, Part 158 guideline studies for pesticide registration were seldom accepted by EPA. The 93 waivers reduced animal use by at least 3325 animals. We estimate 27,731 animals were used in the actual Tier 1 tests, with additional animals being used in preparation for testing. Even with EPA's shift toward applying 21st-century toxicology tools to screening of endocrine disruptors in the future, acceptance of OSRI will remain a primary means for avoiding duplicative testing and reducing use of animals in the EDSP. Therefore, it is essential that EPA develop a consistent and transparent basis for accepting OSRI. © 2013 Wiley Periodicals, Inc.

Numerical evaluation of ECT impedance signal due to minute cracks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fukutomi, Hiroyuki; Takagi, Toshiyuki; Tani, Junji

1997-03-01

This paper describes an experimental and analytical study on minute crack inspection with Eddy Current Testing (ECT). Measurement and simulation using a 3D FEM program are applied for the evaluation of the detecting signal with a minute crack in a test piece. Parameters such as mesh division, ICCG convergence criteria, etc. are evaluated to achieve high accuracy in numerical calculation. The simulation results agreed with experimental ones. ECT is used for in-service inspection of tubes in steam generators, heat exchangers and condensers in nuclear or conventional power plants as well as in chemical installations.

Computer modeling of a hot filament diamond deposition reactor

NASA Technical Reports Server (NTRS)

Kuczmarski, Maria A.; Washlock, Paul A.; Angus, John C.

1991-01-01

A commercial fluid mechanics program, FLUENT, has been applied to the modeling of a hot-filament diamond deposition reactor. Streamlines and contours of constant temperature and species concentrations are obtained for practical reactor geometries and conditions. The modeling is presently restricted to two-dimensional simulations and to a chemical mechanism of ten independent homogeneous and surface reactions. Comparisons are made between predicted power consumption, substrate temperature, and concentrations of atomic hydrogen and methyl-radical with values taken from the literature. The results to date indicate that the modeling can aid in the rational design and analysis of practical reactor configurations.

Process Operations Program is the First of Its Kind

ERIC Educational Resources Information Center

Elements of Technology, 1973

1973-01-01

The goal of the program is to produce a graduate with the technical background and expertise necessary for direct entry into a process operator training program in a petro-chemical plant. It is a unique program offered through Lambton College, Canada, in co-operation with the process industries in Sarnia's "Chemical Valley". (Author/DS)

Computer program determines chemical equilibria in complex systems

NASA Technical Reports Server (NTRS)

Gordon, S.; Zeleznik, F. J.

1966-01-01

Computer program numerically solves nonlinear algebraic equations for chemical equilibrium based on iteration equations independent of choice of components. This program calculates theoretical performance for frozen and equilibrium composition during expansion and Chapman-Jouguet flame properties, studies combustion, and designs hardware.

Validity and validation of expert (Q)SAR systems.

PubMed

Hulzebos, E; Sijm, D; Traas, T; Posthumus, R; Maslankiewicz, L

2005-08-01

At a recent workshop in Setubal (Portugal) principles were drafted to assess the suitability of (quantitative) structure-activity relationships ((Q)SARs) for assessing the hazards and risks of chemicals. In the present study we applied some of the Setubal principles to test the validity of three (Q)SAR expert systems and validate the results. These principles include a mechanistic basis, the availability of a training set and validation. ECOSAR, BIOWIN and DEREK for Windows have a mechanistic or empirical basis. ECOSAR has a training set for each QSAR. For half of the structural fragments the number of chemicals in the training set is >4. Based on structural fragments and log Kow, ECOSAR uses linear regression to predict ecotoxicity. Validating ECOSAR for three 'valid' classes results in predictivity of > or = 64%. BIOWIN uses (non-)linear regressions to predict the probability of biodegradability based on fragments and molecular weight. It has a large training set and predicts non-ready biodegradability well. DEREK for Windows predictions are supported by a mechanistic rationale and literature references. The structural alerts in this program have been developed with a training set of positive and negative toxicity data. However, to support the prediction only a limited number of chemicals in the training set is presented to the user. DEREK for Windows predicts effects by 'if-then' reasoning. The program predicts best for mutagenicity and carcinogenicity. Each structural fragment in ECOSAR and DEREK for Windows needs to be evaluated and validated separately.

Generation of useful energy from process fluids using the biphase turbine

NASA Astrophysics Data System (ADS)

Helgeson, N. L.

1981-01-01

The six largest energy consuming industries in the United States were surveyed to determine the energy savings that could result from applying the Biphase turbine to industrial process streams. A national potential energy savings of 58 million barrels of oil per year (technical market) was identified. This energy is recoverable from flashing gas liquid process streams and is separate and distinct from exhaust gas waste heat recovery. The industries surveyed in this program were the petroleum chemical, primary metals, paper and pulp, stone-clay-glass, and food. It was required to determine the applicability of the Biphase turbine to flashing operations connected with process streams, to determine the energy changes associated with these flashes if carried out in a Biphase turbine, and to determine the suitability (technical and economical feasibility) of applying the Biphase turbine to these processes.

New Chemicals Program Review of Alternatives for PFOA and Related Chemicals

EPA Pesticide Factsheets

In 2006, EPA and the eight major companies in the industry launched the 2010/15 PFOA Stewardship Program, in which companies committed to reduce global facility emissions and product content of PFOA and related chemicals by 95 percent by 2010, and to work

Standard Review Risk Assessment on Medium-chain and Long-chain Chlorinated paraffin PMN submissions by INEOS Chlor Americas

EPA Pesticide Factsheets

This assessment was conducted under EPA’s TSCA Section 5 New Chemicals Program. EPA is assessing Medium-chain Chlorinated Paraffin (MCCP) and Long-Chain Chlorinated Paraffin (LCCP) chemicals as part of its New Chemicals Review program.

The ToxCast Chemical Prioritization Program at the US EPA (UCLA Molecular Toxicology Program)

EPA Science Inventory

To meet the needs of chemical regulators reviewing large numbers of data-poor chemicals for safety, the EPA's National Center for Computational Toxicology is developing a means of efficiently testing thousands of compounds for potential toxicity. High-throughput bioactivity profi...

Fact Sheet: 2010/2015 PFOA Stewardship Program

EPA Pesticide Factsheets

EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

Forensic applications of chemical imaging: latent fingerprint detection using visible absorption and luminescence.

PubMed

Exline, David L; Wallace, Christie; Roux, Claude; Lennard, Chris; Nelson, Matthew P; Treado, Patrick J

2003-09-01

Chemical imaging technology is a rapid examination technique that combines molecular spectroscopy and digital imaging, providing information on morphology, composition, structure, and concentration of a material. Among many other applications, chemical imaging offers an array of novel analytical testing methods, which limits sample preparation and provides high-quality imaging data essential in the detection of latent fingerprints. Luminescence chemical imaging and visible absorbance chemical imaging have been successfully applied to ninhydrin, DFO, cyanoacrylate, and luminescent dye-treated latent fingerprints, demonstrating the potential of this technology to aid forensic investigations. In addition, visible absorption chemical imaging has been applied successfully to visualize untreated latent fingerprints.

DEVELOPING COMPUTATIONAL TOOLS FOR PREDICTING CHEMICAL FATE, METABOLISM, AND TOXICITY PATHWAYS

EPA Science Inventory

ORD's research program in Computational Toxicology (CompTox) will enable EPA Program Offices and other regulators to prioritize and reduce toxicity-testing requirements for potentially hazardous chemicals. The CompTox program defines the "toxicity process" as follows : 1) a stre...

PROGRAM FOR THE IDENTIFICATION AND REPLACEMENT OF ENDOCRINE DISRUPTING CHEMICALS

EPA Science Inventory

A computer software program is being developed to aid in the identification and replacement of endocrine disrupting chemicals (EDC). This program will be comprised of two distinct areas of research: identification of potential EDC nd suggstions for replacing those potential EDC. ...

Water Resources Research October 1, 1979 - September 30, 1980: Summary statements of research activities by the Water Resources Division

USGS Publications Warehouse

,

1981-01-01

Research in the WRD had its beginnings in the late 1950's when the "core research" line item was added to the Congressional budget. Since this time the Federal program has grown from a "basic sciences" program to one that includes a broad spectrum of basic and applied scientific investigations. Water resources research in WRD includes the study of water in all its phases and uses the basic sciences of mathematics, chemistry, physics, biology, geology and engineering to gain a fundamental understanding of the processes that affect the movement of water and its chemical constituents through hydrologic systems. The basic knowledge and methodologies derived from water resources research are applicable not only to the solution of current problems associated with the Nation's water resources, but also to anticipated hydrologic issues.

[Passive smoking at work: proposal for a smokeless company policy].

PubMed

Lombardi, C C

2007-01-01

Tobacco smoke contains about 4000 chemical substances, among which cancer agents (benzene, formaldehyde, polonium-210). There is sufficient evidence that inhalation of tobacco passive smoke causes human risks (cancer, cardio-vascular and respiratory system diseases). With the no-smoking act, issued by minister Sirchia in 2003, smoke is forbidden in indoor space in Italy, but much has still to be done in practice. Difficulties in application depend on the facts that smokers psychologically and hardly oppose and sanctions are complicated to apply. In this work we will argue the following problems and purpose respective alternatives: 1) To consider passive smoking risk in the 626/94 act into a specific section. 2) To transform administrative sanctions into a fund finalized to smoke cessation programs. 3) Increase formation-information smoke cessation programs, especially focused on positive effects from stop smoking.

Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.

PubMed

Karthikeyan, M; Krishnan, S; Pandey, Anil Kumar; Bender, Andreas; Tropsha, Alexander

2008-04-01

We present the application of a Java remote method invocation (RMI) based open source architecture to distributed chemical computing. This architecture was previously employed for distributed data harvesting of chemical information from the Internet via the Google application programming interface (API; ChemXtreme). Due to its open source character and its flexibility, the underlying server/client framework can be quickly adopted to virtually every computational task that can be parallelized. Here, we present the server/client communication framework as well as an application to distributed computing of chemical properties on a large scale (currently the size of PubChem; about 18 million compounds), using both the Marvin toolkit as well as the open source JOELib package. As an application, for this set of compounds, the agreement of log P and TPSA between the packages was compared. Outliers were found to be mostly non-druglike compounds and differences could usually be explained by differences in the underlying algorithms. ChemStar is the first open source distributed chemical computing environment built on Java RMI, which is also easily adaptable to user demands due to its "plug-in architecture". The complete source codes as well as calculated properties along with links to PubChem resources are available on the Internet via a graphical user interface at http://moltable.ncl.res.in/chemstar/.

Evaluation of food-relevant chemicals in the ToxCast high-throughput screening program

EPA Science Inventory

There are thousands of chemicals that are directly added to or come in contact with food, many of which have undergone little to no toxicological evaluation. The ToxCast high-throughput screening (HTS) program has evaluated over 1,800 chemicals in concentration-response across ~8...

Appropriate Programs for Foreign Students in U.S. Chemical Engineering Curricula.

ERIC Educational Resources Information Center

Findley, M. E.

Chemical engineers in developing countries may need abilities in a number of diverse areas including management, planning, chemistry, equipment, processes, politics, and improvisation. Chemical engineering programs for foreign students can be arranged by informed advisers with student input for inclusion of some of these areas in addition to…

76 FR 49473 - Petition to Maximize Practical Utility of List 1 Chemicals Screened Through EPA's Endocrine...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-10

... Utility of List 1 Chemicals Screened Through EPA's Endocrine Disruptor Screening Program; Notice of... to the test orders issued under the Endocrine Disruptor Screening Program. DATES: Comments must be... testing of chemical substances for potential endocrine effects. Potentially affected entities, identified...

Innovative Adolescent Chemical Dependency Treatment and Its Outcome: A Model Based on Outward Bound Programming.

ERIC Educational Resources Information Center

McPeake, John D.; And Others

1991-01-01

Describes adolescent chemical dependency treatment model developed at Beech Hill Hospital (New Hampshire) which integrated Twelve Step-oriented alcohol and drug rehabilitation program with experiential education school, Hurricane Island Outward Bound School. Describes Beech Hill Hurricane Island Outward Bound School Adolescent Chemical Dependency…

Evaluation of radiological dispersion/consequence codes supporting DOE nuclear facility SARs

DOE Office of Scientific and Technical Information (OSTI.GOV)

O`Kula, K.R.; Paik, I.K.; Chung, D.Y.

1996-12-31

Since the early 1990s, the authorization basis documentation of many U.S. Department of Energy (DOE) nuclear facilities has been upgraded to comply with DOE orders and standards. In this process, many safety analyses have been revised. Unfortunately, there has been nonuniform application of software, and the most appropriate computer and engineering methodologies often are not applied. A DOE Accident Phenomenology and Consequence (APAC) Methodology Evaluation Program was originated at the request of DOE Defense Programs to evaluate the safety analysis methodologies used in nuclear facility authorization basis documentation and to define future cost-effective support and development initiatives. Six areas, includingmore » source term development (fire, spills, and explosion analysis), in-facility transport, and dispersion/ consequence analysis (chemical and radiological) are contained in the APAC program. The evaluation process, codes considered, key results, and recommendations for future model and software development of the Radiological Dispersion/Consequence Working Group are summarized in this paper.« less

An overview of tools for the validation of protein NMR structures.

PubMed

Vuister, Geerten W; Fogh, Rasmus H; Hendrickx, Pieter M S; Doreleijers, Jurgen F; Gutmanas, Aleksandras

2014-04-01

Biomolecular structures at atomic resolution present a valuable resource for the understanding of biology. NMR spectroscopy accounts for 11% of all structures in the PDB repository. In response to serious problems with the accuracy of some of the NMR-derived structures and in order to facilitate proper analysis of the experimental models, a number of program suites are available. We discuss nine of these tools in this review: PROCHECK-NMR, PSVS, GLM-RMSD, CING, Molprobity, Vivaldi, ResProx, NMR constraints analyzer and QMEAN. We evaluate these programs for their ability to assess the structural quality, restraints and their violations, chemical shifts, peaks and the handling of multi-model NMR ensembles. We document both the input required by the programs and output they generate. To discuss their relative merits we have applied the tools to two representative examples from the PDB: a small, globular monomeric protein (Staphylococcal nuclease from S. aureus, PDB entry 2kq3) and a small, symmetric homodimeric protein (a region of human myosin-X, PDB entry 2lw9).

15 CFR 712.1 - Round to zero rule that applies to activities involving Schedule 1 chemicals.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 15 Commerce and Foreign Trade 2 2013-01-01 2013-01-01 false Round to zero rule that applies to... CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING SCHEDULE 1 CHEMICALS § 712.1 Round to zero.... 1 to this part) as unavoidable by-products or impurities may round to zero and are not subject to...

15 CFR 712.1 - Round to zero rule that applies to activities involving Schedule 1 chemicals.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 15 Commerce and Foreign Trade 2 2012-01-01 2012-01-01 false Round to zero rule that applies to... CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING SCHEDULE 1 CHEMICALS § 712.1 Round to zero.... 1 to this part) as unavoidable by-products or impurities may round to zero and are not subject to...

15 CFR 712.1 - Round to zero rule that applies to activities involving Schedule 1 chemicals.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 15 Commerce and Foreign Trade 2 2014-01-01 2014-01-01 false Round to zero rule that applies to... CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING SCHEDULE 1 CHEMICALS § 712.1 Round to zero.... 1 to this part) as unavoidable by-products or impurities may round to zero and are not subject to...

The University of Georgia Chemical Waste Disposal Program.

ERIC Educational Resources Information Center

Dreesen, David W.; Pohlman, Thomas J.

1980-01-01

Describes a university-wide program directed at reducing the improper storage and disposal of toxic chemical wastes from laboratories. Specific information is included on the implementation of a waste pick-up service, safety equipment, materials and methods for packaging, and costs of the program. (CS)

Hazardous Chemical Fluorometer Development.

DTIC Science & Technology

1981-02-01

RD-0129 997 HAZARDOUS CHEMICAL FLUOROMETER DEYELOPNENT(U) JOHNS HOPKINS UNIV LAUREL RD APPLIED PHYSICS LAB 6 S KEYS FEB Bi JHU/RPL/EED-Bi-6B USCO-D...TEST CHART REr-CRT NO: Cr-n-79-81 Hazardous Chemical Fluorometer Development -- Gary S. Keys q Ft THE JOHNS HOPKINS UNIVERSITYqFt. ill) APPLIED PHYSICS...Connecticut 06340 - 0 I CG-D-79-81/ Ah 7_> Hazardous Chemical Fluorometer Development February 1981 88898 7. ,~rrro z 9. NO-0.C as, 0-a ., AII=q1. Wo

Development of a Computational Chemical Vapor Deposition Model: Applications to Indium Nitride and Dicyanovinylaniline

NASA Technical Reports Server (NTRS)

Cardelino, Carlos

1999-01-01

A computational chemical vapor deposition (CVD) model is presented, that couples chemical reaction mechanisms with fluid dynamic simulations for vapor deposition experiments. The chemical properties of the systems under investigation are evaluated using quantum, molecular and statistical mechanics models. The fluid dynamic computations are performed using the CFD-ACE program, which can simulate multispecies transport, heat and mass transfer, gas phase chemistry, chemistry of adsorbed species, pulsed reactant flow and variable gravity conditions. Two experimental setups are being studied, in order to fabricate films of: (a) indium nitride (InN) from the gas or surface phase reaction of trimethylindium and ammonia; and (b) 4-(1,1)dicyanovinyl-dimethylaminoaniline (DCVA) by vapor deposition. Modeling of these setups requires knowledge of three groups of properties: thermodynamic properties (heat capacity), transport properties (diffusion, viscosity, and thermal conductivity), and kinetic properties (rate constants for all possible elementary chemical reactions). These properties are evaluated using computational methods whenever experimental data is not available for the species or for the elementary reactions. The chemical vapor deposition model is applied to InN and DCVA. Several possible InN mechanisms are proposed and analyzed. The CVD model simulations of InN show that the deposition rate of InN is more efficient when pulsing chemistry is used under conditions of high pressure and microgravity. An analysis of the chemical properties of DCVA show that DCVA dimers may form under certain conditions of physical vapor transport. CVD simulations of the DCVA system suggest that deposition of the DCVA dimer may play a small role in the film and crystal growth processes.

Proceedings of the USAF/NATO Conference on Maintenance of Air Base Operations in a Chemical Warfare Environment Held in Williamsburg, Virginia on August - September 1987

DTIC Science & Technology

1987-09-01

46* The Nuclear, Biological and Chemical lLerservice Working Party -- The US Services NBC Operational Access to NATO - Major Robert J . Kainz...47 Avionics Decontamination Program - Captain Candice J . Tomlinson ............ 55 U S Army Decontamination Program Overview - Dr. James A. Baker...Respiratory Protection Program - Mr. Robert Tompkins .......... 228 Netherlands Chemical Defense Gear for F-16 Pilots - Dr. J . Medema ......... 233

Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division, April--June 1997

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jubin, R.T.

The Chemical and Energy Research Section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within six major areas of research: Hot Cell Operations, Process Chemistry and thermodynamics, Separations and Materials Synthesis, Solution Thermodynamics, biotechnology Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information.

Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations. Interim Revision, March 1976

NASA Technical Reports Server (NTRS)

Gordon, S.; Mcbride, B. J.

1976-01-01

A detailed description of the equations and computer program for computations involving chemical equilibria in complex systems is given. A free-energy minimization technique is used. The program permits calculations such as (1) chemical equilibrium for assigned thermodynamic states (T,P), (H,P), (S,P), (T,V), (U,V), or (S,V), (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. The program considers condensed species as well as gaseous species.

34 CFR 400.2 - What programs are governed by these regulations?

Code of Federal Regulations, 2010 CFR

2010-07-01

... VOCATIONAL AND ADULT EDUCATION, DEPARTMENT OF EDUCATION VOCATIONAL AND APPLIED TECHNOLOGY EDUCATION PROGRAMS... apply to the Vocational and Applied Technology Education Programs as follows: (a) State-administered programs. (1) State Vocational and Applied Technology Education Program (34 CFR part 403). (2) State...

Data acquisition system for chemical kinetic studies

PubMed Central

Zhu, Yu-zhen; Zhou, Xin; Zang, Xiang-sheng

1989-01-01

A microcomputer-interfaced data acquisition system for chemical kinetics (interfacing with laboratory analogue instruments) has been developed. Analogue signals from instruments used in kinetics experiments are amplifed by a wide-range adjustable high-gain operational amplifier and smoothed by an op-based filter, and then digitized at rates of up to 104 samples per channel by an ADC 0816 digitizer. The ADC data transfer and manipulation routine was written in Assembler code and in high-level language; the graphics package and data treatment package is in Basic. For the various sampling speeds, all of the program can be written using Basic-Assembler or completely in Assembler if a high sampling rate is needed. Several numerical treatment methods for chemical kinetics have been utilized to smooth the data from experiments. The computer-interfaced system for second-order chemical kinetic studies was applied to the determination of the rate constant of the saponification of ethyl acetate at 35°C. For this specific problem, an averaging treatment was used which can be called an interval method. The use of this method avoids the diffcully of measuring the starting time of the reaction. Two groups of experimental data and results were used to evaluate the systems performance. All of the results obtained are in agreement with the reference value. PMID:18925219

MIX: a computer program to evaluate interaction between chemicals

Treesearch

Jacqueline L. Robertson; Kimberly C. Smith

1989-01-01

A computer program, MIX, was designed to identify pairs of chemicals whose interaction results in a response that departs significantly from the model predicated on the assumption of independent, uncorrelated joint action. This report describes the MIX program, its statistical basis, and instructions for its use.

GHGRP Chemicals Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Chemicals industry.

Evaluating the multimedia fate of organic chemicals: A level III fugacity model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mackay, D.; Paterson, S.

A multimedia model is developed and applied to selected organic chemicals in evaluative and real regional environments. The model employs the fugacity concept and treats four bulk compartments: air, water, soil, and bottom sediment, which consist of subcompartments of varying proportions of air, water, and mineral and organic matter. Chemical equilibrium is assumed to apply within (but not between) each bulk compartment. Expressions are included for emissions, advective flows, degrading reactions, and interphase transport by diffusive and non-diffusive processes. Input to the model consists of a description of the environment, the physical-chemical and reaction properties of the chemical, and emissionmore » rates. For steady-state conditions the solution is a simple algebraic expression. The model is applied to six chemicals in the region of southern Ontario and the calculated fate and concentrations are compared with observations. The results suggest that the model may be used to determine the processes that control the environmental fate of chemicals in a region and provide approximate estimates of relative media concentrations.« less

An Approach to Help Departments Meet the New ABET Process Safety Requirements

ERIC Educational Resources Information Center

Vaughen, Bruce K.

2012-01-01

The proposed program criteria changes by the Accreditation Board for Engineering and Technology, Inc. (ABET), for chemical, biochemical, biomolecular, and similarly named programs includes a fundamental awareness expectation of the hazards involved in chemical processing for a graduating chemical engineer. As of July 2010, these four new words…

Chemical Safety for Sustainability (CSS): Human in vivobiomonitoring data for complementing results from in vitro toxicology -A Commentary

EPA Science Inventory

The U.S. Environmental Protection Agency (EPA) has instituted the Chemical Safety for Sustainability (CSS) research program for assessing the health and environmental impact of manufactured chemicals. This is a broad program wherein one of the tasks is to develop high throughput...

Using a simulation cell for exercise realism.

PubMed

Lerner, Ken

2013-01-01

A simulation cell or SimCell is an effective and flexible tool for control of emergency management exercises. It allows exercise participants to interact, via simulation, with a wide variety of nonplaying organizations and officials. Adapted from military application, the Chemical Stockpile Emergency Preparedness Program (CSEPP) applied, developed, and refined the SimCell concept for emergency management exercises. It has now been incorporated into national exercise guidance through the Homeland Security Exercise and Evaluation Program, and has been used in a wide variety of national, regional, and local exercises. This article reviews development of the SimCell concept in CSEPP, briefly surveys current practice incorporating SimCells in exercise control, and offers practical lessons-learned and tips on using a SimCell to best advantage. Lessons learned include using a SimCell as an exercise-control hub; preparing inject material for exercise controllers as part of the Master Scenario Event List; laying the groundwork for success through exercise player and controller training; developing protocol for SimCell communications; and capturing feedback from SimCell controllers for inclusion in the exercise evaluation reporting process. The SimCell concept is flexible and can be applied to a variety of exercise types and through a variety of methods.

Hyperspectral imaging applied to forensic medicine

NASA Astrophysics Data System (ADS)

Malkoff, Donald B.; Oliver, William R.

2000-03-01

Remote sensing techniques now include the use of hyperspectral infrared imaging sensors covering the mid-and- long wave regions of the spectrum. They have found use in military surveillance applications due to their capability for detection and classification of a large variety of both naturally occurring and man-made substances. The images they produce reveal the spatial distributions of spectral patterns that reflect differences in material temperature, texture, and composition. A program is proposed for demonstrating proof-of-concept in using a portable sensor of this type for crime scene investigations. It is anticipated to be useful in discovering and documenting the affects of trauma and/or naturally occurring illnesses, as well as detecting blood spills, tire patterns, toxic chemicals, skin injection sites, blunt traumas to the body, fluid accumulations, congenital biochemical defects, and a host of other conditions and diseases. This approach can significantly enhance capabilities for determining the circumstances of death. Potential users include law enforcement organizations (police, FBI, CIA), medical examiners, hospitals/emergency rooms, and medical laboratories. Many of the image analysis algorithms already in place for hyperspectral remote sensing and crime scene investigations can be applied to the interpretation of data obtained in this program.

Catalysis and biocatalysis program

NASA Technical Reports Server (NTRS)

Ingham, J. D.

1993-01-01

This final report presents a summary of research activities and accomplishments for the Catalysis and Biocatalysis Program, which was renamed the Biological and Chemical Technologies Research (BCTR) Program, currently of the Advanced Industrial Concepts Division (AICD), Office of Industrial Technologies of the Department of Energy (DOE). The Program was formerly under the Division of Energy Conversion and Utilization Technologies (ECUT) until the DOE reorganization in April, 1990. The goals of the BCTR Program are consistent with the initial ECUT goals, but represent an increased effort toward advances in chemical and biological technology transfer. In addition, the transition reflects a need for the BCTR Program to assume a greater R&D role in chemical catalysis as well as a need to position itself for a more encompassing involvement in a broader range of biological and chemical technology research. The mission of the AICD is to create a balanced Program of high risk, long-term, directed interdisciplinary research and development that will improve energy efficiency and enhance fuel flexibility in the industrial sector. Under AICD, the DOE Catalysis and Biocatalysis Program sponsors research and development in furthering industrial biotechnology applications and promotes the integrated participation of universities, industrial companies, and government research laboratories.

Near-miss incident management in the chemical process industry.

PubMed

Phimister, James R; Oktem, Ulku; Kleindorfer, Paul R; Kunreuther, Howard

2003-06-01

This article provides a systematic framework for the analysis and improvement of near-miss programs in the chemical process industries. Near-miss programs improve corporate environmental, health, and safety (EHS) performance through the identification and management of near misses. Based on more than 100 interviews at 20 chemical and pharmaceutical facilities, a seven-stage framework has been developed and is presented herein. The framework enables sites to analyze their own near-miss programs, identify weak management links, and implement systemwide improvements.

Teacher's Guide to SERAPHIM Software II. Chemical Principles.

ERIC Educational Resources Information Center

Bogner, Donna J.

Designed to assist chemistry teachers in selecting appropriate software programs, this publication is the second in a series of six teacher's guides from Project SERAPHIM, a program sponsored by the National Science Foundation. This guide is keyed to the chapters of the text "Chemical Principles." Program suggestions are arranged in the…

Education, Assistance and Prevention Program for Chemical Dependency Problems among Pharmacy Students.

ERIC Educational Resources Information Center

Giannetti, Vincent J.; And Others

1990-01-01

Duquesne University (Pennsylvania) has established a chemical dependency peer intervention program with a strong education and prevention focus which involves identifying, motivating, referring for treatment and aftercare monitoring of impaired pharmacy students. The program includes a required student seminar. Student response to the seminar and…

77 FR 74685 - Chemical Facility Anti-Terrorism Standards (CFATS) Chemical-Terrorism Vulnerability Information...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-17

... Programs Directorate (NPPD), Office of Infrastructure Protection (IP), Infrastructure Security Compliance... questions about this Information Collection Request should be forwarded to DHS/NPPD/IP/ISCD CFATS Program... to the DHS/NPPD/IP/ISCD CFATS Program Manager at the Department of Homeland Security, 245 Murray Lane...

Overview of the ToxCast Research Program: Applications to Predictive Toxicology and Chemical Prioritization

EPA Science Inventory

EPA’s ToxCast program, the NTP’s HTS initiative, and the NCGC’s Molecular Libraries Initiative into a collaborative research program focused on identifying toxicity pathways and developing in vitro assays to characterize the ability of chemicals to perturb those pathways. The go...

Exposure to Hazardous Chemical Substances--A Major Campus Environmental Health & Safety Concern.

ERIC Educational Resources Information Center

Robinson, Donald A.; Sorensen, Alfred J.

1980-01-01

A broad spectrum of potentially hazardous chemicals offers serious exposure risks to members of college and university communities. A formal program is needed to minimize exposure to these substances and maintain a prevention oriented protective program. The University of Massachusetts has developed such a program. (JN)

Traditional Medicine Collection Tracking System (TM-CTS): a database for ethnobotanically driven drug-discovery programs.

PubMed

Harris, Eric S J; Erickson, Sean D; Tolopko, Andrew N; Cao, Shugeng; Craycroft, Jane A; Scholten, Robert; Fu, Yanling; Wang, Wenquan; Liu, Yong; Zhao, Zhongzhen; Clardy, Jon; Shamu, Caroline E; Eisenberg, David M

2011-05-17

Ethnobotanically driven drug-discovery programs include data related to many aspects of the preparation of botanical medicines, from initial plant collection to chemical extraction and fractionation. The Traditional Medicine Collection Tracking System (TM-CTS) was created to organize and store data of this type for an international collaborative project involving the systematic evaluation of commonly used Traditional Chinese Medicinal plants. The system was developed using domain-driven design techniques, and is implemented using Java, Hibernate, PostgreSQL, Business Intelligence and Reporting Tools (BIRT), and Apache Tomcat. The TM-CTS relational database schema contains over 70 data types, comprising over 500 data fields. The system incorporates a number of unique features that are useful in the context of ethnobotanical projects such as support for information about botanical collection, method of processing, quality tests for plants with existing pharmacopoeia standards, chemical extraction and fractionation, and historical uses of the plants. The database also accommodates data provided in multiple languages and integration with a database system built to support high throughput screening based drug discovery efforts. It is accessed via a web-based application that provides extensive, multi-format reporting capabilities. This new database system was designed to support a project evaluating the bioactivity of Chinese medicinal plants. The software used to create the database is open source, freely available, and could potentially be applied to other ethnobotanically driven natural product collection and drug-discovery programs. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Traditional Medicine Collection Tracking System (TM-CTS): A Database for Ethnobotanically-Driven Drug-Discovery Programs

PubMed Central

Harris, Eric S. J.; Erickson, Sean D.; Tolopko, Andrew N.; Cao, Shugeng; Craycroft, Jane A.; Scholten, Robert; Fu, Yanling; Wang, Wenquan; Liu, Yong; Zhao, Zhongzhen; Clardy, Jon; Shamu, Caroline E.; Eisenberg, David M.

2011-01-01

Aim of the study. Ethnobotanically-driven drug-discovery programs include data related to many aspects of the preparation of botanical medicines, from initial plant collection to chemical extraction and fractionation. The Traditional Medicine-Collection Tracking System (TM-CTS) was created to organize and store data of this type for an international collaborative project involving the systematic evaluation of commonly used Traditional Chinese Medicinal plants. Materials and Methods. The system was developed using domain-driven design techniques, and is implemented using Java, Hibernate, PostgreSQL, Business Intelligence and Reporting Tools (BIRT), and Apache Tomcat. Results. The TM-CTS relational database schema contains over 70 data types, comprising over 500 data fields. The system incorporates a number of unique features that are useful in the context of ethnobotanical projects such as support for information about botanical collection, method of processing, quality tests for plants with existing pharmacopoeia standards, chemical extraction and fractionation, and historical uses of the plants. The database also accommodates data provided in multiple languages and integration with a database system built to support high throughput screening based drug discovery efforts. It is accessed via a web-based application that provides extensive, multi-format reporting capabilities. Conclusions. This new database system was designed to support a project evaluating the bioactivity of Chinese medicinal plants. The software used to create the database is open source, freely available, and could potentially be applied to other ethnobotanically-driven natural product collection and drug-discovery programs. PMID:21420479

Integrated Chemical and Microorganism Monitoring of Air Using Gas Chromatography/Ion Mobility Spectometry: Toward an Expanded-Use Volatile Organic Analyzer (VOA)

NASA Technical Reports Server (NTRS)

Eiceman, G. A.

1999-01-01

The work described in this research program originated with the choice by NASA of an ion mobility spectrometer for air quality monitoring on-board the international spacestation. Though the gas chromatograph-ion mobility spectrometer analyzer known as VOA met or exceeded expectations, limitations in the basic understanding of response and the utilization of foundational principles into usable technology was considered unacceptable. In this research program, a comprehensive model for the origins of mobility spectra was proposed, tested and verified. The principles considered responsible for the appearance of mobility spectra have now been elucidated through this project. This understanding has been applied in automated identification of mobility spectra using neural networks and routine procedures for this now exist. Finally, the limitation on linear range has been shown to be a technical limitation and not a fundamental limitation so that a hardware component was crafted to extend the linear range of a mobility spectrometer by 10X. This project has led to one Ph.D. dissertation and one MS thesis. In addition, over ten public presentations at professional meetings and six journal publications have resulted from this program of research. The findings are so plentiful that total analysis of the findings may require four to six years or more. The findings confirm that the decision to use VOA was sound and that the chemical and physical principles of mobility spectrometry are both understandable and predictable.

Archive of GHGRP Chemicals Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Chemicals industry.

Integrated Proteomic Approaches for Understanding Toxicity of Environmental Chemicals

EPA Science Inventory

To apply quantitative proteomic analysis to the evaluation of toxicity of environmental chemicals, we have developed an integrated proteomic technology platform. This platform has been applied to the analysis of the toxic effects and pathways of many important environmental chemi...

46 CFR 190.05-20 - Segregation of chemical laboratories and chemical storerooms.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 7 2011-10-01 2011-10-01 false Segregation of chemical laboratories and chemical... chemical laboratories and chemical storerooms. (a) The provisions of this section shall apply to all vessels contracted for on or after March 1, 1968. (b) Chemical storerooms shall not be located in...

46 CFR 190.05-20 - Segregation of chemical laboratories and chemical storerooms.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Segregation of chemical laboratories and chemical... chemical laboratories and chemical storerooms. (a) The provisions of this section shall apply to all vessels contracted for on or after March 1, 1968. (b) Chemical storerooms shall not be located in...

46 CFR 190.05-20 - Segregation of chemical laboratories and chemical storerooms.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 7 2012-10-01 2012-10-01 false Segregation of chemical laboratories and chemical... chemical laboratories and chemical storerooms. (a) The provisions of this section shall apply to all vessels contracted for on or after March 1, 1968. (b) Chemical storerooms shall not be located in...

46 CFR 190.05-20 - Segregation of chemical laboratories and chemical storerooms.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Segregation of chemical laboratories and chemical... chemical laboratories and chemical storerooms. (a) The provisions of this section shall apply to all vessels contracted for on or after March 1, 1968. (b) Chemical storerooms shall not be located in...

46 CFR 190.05-20 - Segregation of chemical laboratories and chemical storerooms.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 7 2014-10-01 2014-10-01 false Segregation of chemical laboratories and chemical... chemical laboratories and chemical storerooms. (a) The provisions of this section shall apply to all vessels contracted for on or after March 1, 1968. (b) Chemical storerooms shall not be located in...

Chemical Hygiene Program

NASA Technical Reports Server (NTRS)

Mayor, Antoinette C.

1999-01-01

The Chemical Management Team is responsible for ensuring compliance with the OSHA Laboratory Standard. The program at Lewis Research Center (LeRC) evolved over many years to include training, developing Standard Operating Procedures (SOPS) for each laboratory process, coordinating with other safety and health organizations and teams at the Center, and issuing an SOP binder. The Chemical Hygiene Policy was first established for the Center. The Chemical Hygiene Plan was established and reviewed by technical, laboratory and management for viability and applicability to the Center. A risk assessment was conducted for each laboratory. The laboratories were prioritized by order of risk, higher risk taking priority. A Chemical Management Team staff member interviewed the lead researcher for each laboratory process to gather the information needed to develop the SOP for the process. A binder containing the Chemical Hygiene Plan, the SOP, a map of the laboratory identifying the personal protective equipment and best egress, and glove guides, as well as other guides for safety and health. Each laboratory process has been captured in the form of an SOP. The chemicals used in the procedure have been identified and the information is used to reduce the number of chemicals in the lab. The Chemical Hygiene Plan binder is used as a training tool for new employees. LeRC is in compliance with the OSHA Standard. The program was designed to comply with the OSHA standard. In the process, we have been able to assess the usage of chemicals in the laboratories, as well as reduce or relocate the chemicals being stored in the laboratory. Our researchers are trained on the hazards of the materials they work with and have a better understanding of the hazards of the process and what is needed to prevent any incident. From the SOP process, we have been able to reduce our chemical inventory, determine and implement better hygiene procedures and equipment in the laboratories, and provide specific training to our employees. As a result of this program, we are adding labeling to the laboratories for emergency responders and initiating a certified chemical user program.

New Chemicals Program under TSCA Chemical Categories Document

EPA Pesticide Factsheets

The categories included in this compilation represent chemicals for which sufficient assessment experience has been accumulated so that hazard concerns and testing recommendations vary little from chemical to chemical within the category.

Chemical Analysis of the Dyes Used in Navy Green and Yellow Colored Smokes .

DTIC Science & Technology

1986-01-31

RD-RI69 478 CHEMICAL ANALYSIS OF THE DYES USED IN NAVY OREEN AND 11 YELLOW COLORED SNOKES(U) NAVAL WEAPONS SUP POR T CENTER CRANE IN APPLIED SCIENCES...NWSC/CR/RDTR-271 00 CHEMICAL ANALYSIS OF THE DYES USED IN NAVY GREEN AND YELLOW COLORED SMOKES Anton Chin Naval Weapons Support Center Applied Sciences...62765 SF65-559 559-691 20392 TITLE (Iint/ude Sec uritE C/assitication) CHEMICAL ANALYSIS OF THE DYES USED IN NAVY GREEN AND YELLOW COLORED SMOKES 1.1

Identification of water quality management policy of watershed system with multiple uncertain interactions using a multi-level-factorial risk-inference-based possibilistic-probabilistic programming approach.

PubMed

Liu, Jing; Li, Yongping; Huang, Guohe; Fu, Haiyan; Zhang, Junlong; Cheng, Guanhui

2017-06-01

In this study, a multi-level-factorial risk-inference-based possibilistic-probabilistic programming (MRPP) method is proposed for supporting water quality management under multiple uncertainties. The MRPP method can handle uncertainties expressed as fuzzy-random-boundary intervals, probability distributions, and interval numbers, and analyze the effects of uncertainties as well as their interactions on modeling outputs. It is applied to plan water quality management in the Xiangxihe watershed. Results reveal that a lower probability of satisfying the objective function (θ) as well as a higher probability of violating environmental constraints (q i ) would correspond to a higher system benefit with an increased risk of violating system feasibility. Chemical plants are the major contributors to biological oxygen demand (BOD) and total phosphorus (TP) discharges; total nitrogen (TN) would be mainly discharged by crop farming. It is also discovered that optimistic decision makers should pay more attention to the interactions between chemical plant and water supply, while decision makers who possess a risk-averse attitude would focus on the interactive effect of q i and benefit of water supply. The findings can help enhance the model's applicability and identify a suitable water quality management policy for environmental sustainability according to the practical situations.

Revised Methods for Characterizing Stream Habitat in the National Water-Quality Assessment Program

USGS Publications Warehouse

Fitzpatrick, Faith A.; Waite, Ian R.; D'Arconte, Patricia J.; Meador, Michael R.; Maupin, Molly A.; Gurtz, Martin E.

1998-01-01

Stream habitat is characterized in the U.S. Geological Survey's National Water-Quality Assessment (NAWQA) Program as part of an integrated physical, chemical, and biological assessment of the Nation's water quality. The goal of stream habitat characterization is to relate habitat to other physical, chemical, and biological factors that describe water-quality conditions. To accomplish this goal, environmental settings are described at sites selected for water-quality assessment. In addition, spatial and temporal patterns in habitat are examined at local, regional, and national scales. This habitat protocol contains updated methods for evaluating habitat in NAWQA Study Units. Revisions are based on lessons learned after 6 years of applying the original NAWQA habitat protocol to NAWQA Study Unit ecological surveys. Similar to the original protocol, these revised methods for evaluating stream habitat are based on a spatially hierarchical framework that incorporates habitat data at basin, segment, reach, and microhabitat scales. This framework provides a basis for national consistency in collection techniques while allowing flexibility in habitat assessment within individual Study Units. Procedures are described for collecting habitat data at basin and segment scales; these procedures include use of geographic information system data bases, topographic maps, and aerial photographs. Data collected at the reach scale include channel, bank, and riparian characteristics.

Program to Train Boiler Operators Developed

ERIC Educational Resources Information Center

Chemical and Engineering News, 1978

1978-01-01

This program initiated by Nalco Chemical, a major supplier of chemicals for boiler feedwater treatment, uses texts, audiovisual aids, and hands-on experience and is designed to boost the efficiency of boiler operators. (BB)

Materials and Chemical Sciences Division annual report, 1987

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1988-07-01

Research programs from Lawrence Berkeley Laboratory in materials science, chemical science, nuclear science, fossil energy, energy storage, health and environmental sciences, program development funds, and work for others is briefly described. (CBS)

ConsDock: A new program for the consensus analysis of protein-ligand interactions.

PubMed

Paul, Nicodème; Rognan, Didier

2002-06-01

Protein-based virtual screening of chemical libraries is a powerful technique for identifying new molecules that may interact with a macromolecular target of interest. Because of docking and scoring limitations, it is more difficult to apply as a lead optimization method because it requires that the docking/scoring tool is able to propose as few solutions as possible and all of them with a very good accuracy for both the protein-bound orientation and the conformation of the ligand. In the present study, we present a consensus docking approach (ConsDock) that takes advantage of three widely used docking tools (Dock, FlexX, and Gold). The consensus analysis of all possible poses generated by several docking tools is performed sequentially in four steps: (i) hierarchical clustering of all poses generated by a docking tool into families represented by a leader; (ii) definition of all consensus pairs from leaders generated by different docking programs; (iii) clustering of consensus pairs into classes, represented by a mean structure; and (iv) ranking the different means starting from the most populated class of consensus pairs. When applied to a test set of 100 protein-ligand complexes from the Protein Data Bank, ConsDock significantly outperforms single docking with respect to the docking accuracy of the top-ranked pose. In 60% of the cases investigated here, ConsDock was able to rank as top solution a pose within 2 A RMSD of the X-ray structure. It can be applied as a postprocessing filter to either single- or multiple-docking programs to prioritize three-dimensional guided lead optimization from the most likely docking solution. Copyright 2002 Wiley-Liss, Inc.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zygarlicke, C J; Schmidt, D D; Olson, E S

Biomass utilization is one solution to our nation’s addiction to oil and fossil fuels. What is needed now is applied fundamental research that will cause economic technology development for the utilization of the diverse biomass resources in the United States. This Energy & Environmental Research Center (EERC) applied fundamental research project contributes to the development of economical biomass utilization for energy, transportation fuels, and marketable chemicals using biorefinery methods that include thermochemical and fermentation processes. The fundamental and basic applied research supports the broad scientific objectives of the U.S. Department of Energy (DOE) Biomass Program, especially in the area ofmore » developing alternative renewable biofuels, sustainable bioenergy, technologies that reduce greenhouse gas emissions, and environmental remediation. Its deliverables include 1) identifying and understanding environmental consequences of energy production from biomass, including the impacts on greenhouse gas production, carbon emission abatement, and utilization of waste biomass residues and 2) developing biology-based solutions that address DOE and national needs related to waste cleanup, hydrogen production from renewable biomass, biological and chemical processes for energy and fuel production, and environmental stewardship. This project serves the public purpose of encouraging good environmental stewardship by developing biomass-refining technologies that can dramatically increase domestic energy production to counter current trends of rising dependence upon petroleum imports. Decreasing the nation’s reliance on foreign oil and energy will enhance national security, the economy of rural communities, and future competitiveness. Although renewable energy has many forms, such as wind and solar, biomass is the only renewable energy source that can be governed through agricultural methods and that has an energy density that can realistically compete with, or even replace, petroleum and other fossil fuels in the near future. It is a primary domestic, sustainable, renewable energy resource that can supply liquid transportation fuels, chemicals, and energy that are currently produced from fossil sources, and it is a sustainable resource for a hydrogen-based economy in the future.« less

Computer code for single-point thermodynamic analysis of hydrogen/oxygen expander-cycle rocket engines

NASA Technical Reports Server (NTRS)

Glassman, Arthur J.; Jones, Scott M.

1991-01-01

This analysis and this computer code apply to full, split, and dual expander cycles. Heat regeneration from the turbine exhaust to the pump exhaust is allowed. The combustion process is modeled as one of chemical equilibrium in an infinite-area or a finite-area combustor. Gas composition in the nozzle may be either equilibrium or frozen during expansion. This report, which serves as a users guide for the computer code, describes the system, the analysis methodology, and the program input and output. Sample calculations are included to show effects of key variables such as nozzle area ratio and oxidizer-to-fuel mass ratio.

Measurements of HO2 chemical kinetics with a new detection method

NASA Technical Reports Server (NTRS)

Lee, L. C.; Manzanares, E. R.

1985-01-01

In this research program, HO2 was detected by the OH(A-X) photofragment from dissociative excitation of HO2 at 147 nm. This detection method was applied to measure the reaction rate constant of HO2 + O3. This reaction rate constant is needed for the understanding of stratospheric chemistry. Since C12 was used in the flow system, photoexcitation of C12 may produce fluorescence to interfere with the measurements. Thus, the photoexcitation process of C12 in the vacuum ultraviolet region was also examined in this research period using synchrotron radiation as a light source. The research results are summarized.

Segregation of isotopes of heavy metals due to light-induced drift: results and problems

NASA Astrophysics Data System (ADS)

Sapar, A.; Aret, A.; Poolamäe, R.; Sapar, L.

2008-04-01

Atutov and Shalagin (1988) proposed light-induced drift (LID) as a physically well understandable mechanism to explain the formation of isotopic anomalies observed in CP stars. We have generalized the theory of LID and applied it to diffusion of heavy elements and their isotopes in quiescent atmospheres of CP stars. Diffusional segregation of isotopes of chemical elements is described by the equations of continuity and diffusion velocity. Computations of evolutionary sequences for the abundances of mercury isotopes in several model atmospheres have been made, using the Fortran 90 program SMART composed by the authors. Results confirm predominant role of LID in separation of isotopes.

Space environment and lunar surface processes, 2

NASA Technical Reports Server (NTRS)

Comstock, G. M.

1982-01-01

The top few millimeters of a surface exposed to space represents a physically and chemically active zone with properties different from those of a surface in the environment of a planetary atmosphere. To meet the need or a quantitative synthesis of the various processes contributing to the evolution of surfaces of the Moon, Mercury, the asteroids, and similar bodies, (exposure to solar wind, solar flare particles, galactic cosmic rays, heating from solar radiation, and meteoroid bombardment), the MESS 2 computer program was developed. This program differs from earlier work in that the surface processes are broken down as a function of size scale and treated in three dimensions with good resolution on each scale. The results obtained apply to the development of soil near the surface and is based on lunar conditions. Parameters can be adjusted to describe asteroid regoliths and other space-related bodies.

Analytical solutions for coagulation and condensation kinetics of composite particles

NASA Astrophysics Data System (ADS)

Piskunov, Vladimir N.

2013-04-01

The processes of composite particles formation consisting of a mixture of different materials are essential for many practical problems: for analysis of the consequences of accidental releases in atmosphere; for simulation of precipitation formation in clouds; for description of multi-phase processes in chemical reactors and industrial facilities. Computer codes developed for numerical simulation of these processes require optimization of computational methods and verification of numerical programs. Kinetic equations of composite particle formation are given in this work in a concise form (impurity integrated). Coagulation, condensation and external sources associated with nucleation are taken into account. Analytical solutions were obtained in a number of model cases. The general laws for fraction redistribution of impurities were defined. The results can be applied to develop numerical algorithms considerably reducing the simulation effort, as well as to verify the numerical programs for calculation of the formation kinetics of composite particles in the problems of practical importance.

Particle size effect of redox reactions for Co species supported on silica

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chotiwan, Siwaruk; Tomiga, Hiroki; Katagiri, Masaki

Conversions of chemical states during redox reactions of two silica-supported Co catalysts, which were prepared by the impregnation method, were evaluated by using an in situ XAFS technique. The addition of citric acid into the precursor solution led to the formation on silica of more homogeneous and smaller Co particles, with an average diameter of 4 nm. The supported Co{sub 3}O{sub 4} species were reduced to metallic Co via the divalent CoO species during a temperature-programmed reduction process. The reduced Co species were quantitatively oxidized with a temperature-programmed oxidation process. The higher observed reduction temperature of the smaller CoO particlesmore » and the lower observed oxidation temperature of the smaller metallic Co particles were induced by the higher dispersion of the Co oxide species, which apparently led to a stronger interaction with supporting silica. The redox temperature between CoO and Co{sub 3}O{sub 4} was found to be independent of the particle size. - Graphical abstract: Chemical state conversions of SiO{sub 2}-supported Co species and the particle size effect have been analyzed by means of in situ XAFS technique. The small CoO particles have endurance against the reduction and exist in a wide temperature range. Display Omitted - Highlights: • The conversions of the chemical state of supported Co species during redox reaction are evaluated. • In operando XAFS technique were applied to measure redox properties of small Co particles. • A small particle size affects to the redox temperatures of cobalt catalysts.« less

DESIGNING GREENER SOLVENTS

EPA Science Inventory

Computer-aided design of chemicals and chemical mixtures provides a powerful tool to help engineers identify cleaner process designs and more-benign alternatives to toxic industrial solvents. Three software programs are discussed: (1) PARIS II (Program for Assisting the Replaceme...

Chemical Dependency and Violence: Working with Dually Affected Families. A Cross-Training Program Manual for Counselors and Advocates.

ERIC Educational Resources Information Center

Wright, Janet M.

This manual is designed as a cross-training program guide for counselors working in the fields of woman abuse and chemical dependency. (A cross-training program is a system for one (or more) agency personnel to train each other in their respective areas of expertise.) Chapter 1 discusses the rationale and goals of a cross-training program; issues…

vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available.

PubMed

Chaput, Ludovic; Martinez-Sanz, Juan; Quiniou, Eric; Rigolet, Pascal; Saettel, Nicolas; Mouawad, Liliane

2016-01-01

In drug design, one may be confronted to the problem of finding hits for targets for which no small inhibiting molecules are known and only low-throughput experiments are available (like ITC or NMR studies), two common difficulties encountered in a typical academic setting. Using a virtual screening strategy like docking can alleviate some of the problems and save a considerable amount of time by selecting only top-ranking molecules, but only if the method is very efficient, i.e. when a good proportion of actives are found in the 1-10 % best ranked molecules. The use of several programs (in our study, Gold, Surflex, FlexX and Glide were considered) shows a divergence of the results, which presents a difficulty in guiding the experiments. To overcome this divergence and increase the yield of the virtual screening, we created the standard deviation consensus (SDC) and variable SDC (vSDC) methods, consisting of the intersection of molecule sets from several virtual screening programs, based on the standard deviations of their ranking distributions. SDC allowed us to find hits for two new protein targets by testing only 9 and 11 small molecules from a chemical library of circa 15,000 compounds. Furthermore, vSDC, when applied to the 102 proteins of the DUD-E benchmarking database, succeeded in finding more hits than any of the four isolated programs for 13-60 % of the targets. In addition, when only 10 molecules of each of the 102 chemical libraries were considered, vSDC performed better in the number of hits found, with an improvement of 6-24 % over the 10 best-ranked molecules given by the individual docking programs.Graphical abstractIn drug design, for a given target and a given chemical library, the results obtained with different virtual screening programs are divergent. So how to rationally guide the experimental tests, especially when only a few number of experiments can be made? The variable Standard Deviation Consensus (vSDC) method was developed to answer this issue. Left panel the vSDC principle consists of intersecting molecule sets, chosen on the basis of the standard deviations of their ranking distributions, obtained from various virtual screening programs. In this study Glide, Gold, FlexX and Surflex were used and tested on the 102 targets of the DUD-E database. Right panel Comparison of the average percentage of hits found with vSDC and each of the four programs, when only 10 molecules from each of the 102 chemical libraries of the DUD-E database were considered. On average, vSDC was capable of finding 38 % of the findable hits, against 34 % for Glide, 32 % for Gold, 16 % for FlexX and 14 % for Surflex, showing that with vSDC, it was possible to overcome the unpredictability of the virtual screening results and to improve them.

Chemical Dependency Unit: One Aspect of the Program for Student Assistance of Bryan Sr. High School. Teacher Manual.

ERIC Educational Resources Information Center

Omaha Public Schools, NE.

This teachers manual provides three instructional units (Chemical Dependency, A Disease; The Family; and Intervention and Recovery) for chemical dependency education at the high school level. The history, objectives, and teaching philosophy of the program are discussed briefly, and a course syllabus outline and audiovisual aids list by section are…

The U.S. experience in promoting sustainable chemistry.

PubMed

Tickner, Joel A; Geiser, Ken; Coffin, Melissa

2005-01-01

Recent developments in European chemicals policy, including the Registration, Evaluation and Authorization of Chemicals (REACH) proposal, provide a unique opportunity to examine the U.S. experience in promoting sustainable chemistry as well as the strengths and weaknesses of existing policies. Indeed, the problems of industrial chemicals and limitations in current regulatory approaches to address chemical risks are strikingly similar on both sides of the Atlantic. We provide an overview of the U.S. regulatory system for chemicals management and its relationship to efforts promoting sustainable chemistry. We examine federal and state initiatives and examine lessons learned from this system that can be applied to developing more integrated, sustainable approaches to chemicals management. There is truly no one U.S. chemicals policy, but rather a series of different un-integrated policies at the federal, regional, state and local levels. While centerpiece U.S. Chemicals Policy, the Toxic Substances Control Act of 1976, has resulted in the development of a comprehensive, efficient rapid screening process for new chemicals, agency action to manage existing chemicals has been very limited. The agency, however, has engaged in a number of successful, though highly underfunded, voluntary data collection, pollution prevention, and sustainable design programs that have been important motivators for sustainable chemistry. Policy innovation in the establishment of numerous state level initiatives on persistent and bioaccumulative toxics, chemical restrictions and toxics use reduction have resulted in pressure on the federal government to augment its efforts. It is clear that data collection on chemical risks and phase-outs of the most egregious chemicals alone will not achieve the goals of sustainable chemistry. These alone will also not internalize the cultural and institutional changes needed to ensure that design and implementation of safer chemicals, processes, and products are the focus of the future. Thus, a more holistic approach of 'carrots and sticks'--that involves not just chemical producers but those who use and purchase chemicals is necessary. Some important lessons of the US experience in chemicals management include: (1) the need for good information on chemicals flows, toxic risks, and safer substances.; (2) the need for comprehensive planning processes for chemical substitution and reduction to avoid risk trade-offs and ensure product quality; (3) the need for technical and research support to firms for innovation in safer chemistry; and (4) the need for rapid screening processes and tools for comparison of alternative chemicals, materials, and products.

10 CFR 600.314 - Program income.

Code of Federal Regulations, 2010 CFR

2010-01-01

...)(3) of this section applies automatically to all projects or programs except research. For awards that support basic or applied research, paragraph (d)(1) of this section applies automatically unless... Program income. (a) DOE must apply the standards in this section to the disposition of program income from...

Natural Language Processor as a Universal Front End to Expert Systems.

DTIC Science & Technology

1983-12-01

EGaschnig 19791 4.1.7 ESCA SPECTRA INTERPRETER, ESCA (Electron Spectroscopy for Chemical Analysis) is ~ an expert system which directly processes...then used as input to the ESCA Interpreter program. The 0 program, like that of CRYSALIS, is intended to be used by and expert in the field of chemical ...expect to be there. For example, in the DENDRAL 0 chemical analysis system[Handbook of AI], chemical names such as benzene and methanol, must form part of

An interactive code (NETPATH) for modeling NET geochemical reactions along a flow PATH, version 2.0

USGS Publications Warehouse

Plummer, Niel; Prestemon, Eric C.; Parkhurst, David L.

1994-01-01

NETPATH is an interactive Fortran 77 computer program used to interpret net geochemical mass-balance reactions between an initial and final water along a hydrologic flow path. Alternatively, NETPATH computes the mixing proportions of two to five initial waters and net geochemical reactions that can account for the observed composition of a final water. The program utilizes previously defined chemical and isotopic data for waters from a hydrochemical system. For a set of mineral and (or) gas phases hypothesized to be the reactive phases in the system, NETPATH calculates the mass transfers in every possible combination of the selected phases that accounts for the observed changes in the selected chemical and (or) isotopic compositions observed along the flow path. The calculations are of use in interpreting geochemical reactions, mixing proportions, evaporation and (or) dilution of waters, and mineral mass transfer in the chemical and isotopic evolution of natural and environmental waters. Rayleigh distillation calculations are applied to each mass-balance model that satisfies the constraints to predict carbon, sulfur, nitrogen, and strontium isotopic compositions at the end point, including radiocarbon dating. DB is an interactive Fortran 77 computer program used to enter analytical data into NETPATH, and calculate the distribution of species in aqueous solution. This report describes the types of problems that can be solved, the methods used to solve problems, and the features available in the program to facilitate these solutions. Examples are presented to demonstrate most of the applications and features of NETPATH. The codes DB and NETPATH can be executed in the UNIX or DOS1 environment. This report replaces U.S. Geological Survey Water-Resources Investigations Report 91-4078, by Plummer and others, which described the original release of NETPATH, version 1.0 (dated December, 1991), and documents revisions and enhancements that are included in version 2.0. 1 The use of trade, brand or product names in this report is for identification purposes only and does not constitute endorsement by the U.S. Geological Survey.

National demonstration of full reactor coolant system (RCS) chemical decontamination at Indian Point 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trovato, S.A.; Parry, J.O.

1995-03-01

Key to the safe and efficient operation of the nation`s civilian nuclear power plants is the performance of maintenance activities within regulations and guidelines for personnel radiation exposure. However, maintenance activities, often performed in areas of relatively high radiation fields, will increase as the nation`s plant age. With the Nuclear Regulatory Commission (NRC) lowering the allowable radiation exposure to plant workers in 1994 and considering further reductions and regulations in the future, it is imperative that new techniques be developed and applied to reduce personnel exposure. Full primary system chemical decontamination technology offers the potential to be single most effectivemore » method of maintaining workers exposure {open_quotes}as low as reasonably achievable{close_quotes} (ALARA) while greatly reducing plant operation and maintenance (O&M) costs. A three-phase program underway since 1987, has as its goal to demonstrate that full RCS decontamination is a visible technology to reduce general plant radiation levels without threatening the long term reliability and operability of a plant. This paper discusses research leading to and plans for a National Demonstration of Full RCS Chemical Decontamination at Indian Point 2 nuclear generating station in 1995.« less

Chemical Compositions, Somatic Embryogenesis, and Somaclonal Variation in Cumin

PubMed Central

Tohidfar, Masoud; Sadat Noori, Seyed Ahmad; Izadi Darbandi, Ali; Rao, Rosa

2017-01-01

This is the first report evaluating the relationship between the chemical compositions of cumin seeds (based on the analysis of the content of catalase, ascorbate peroxidase, proline, protein, terpenic compounds, alcohol/phenols, aldehydes, and epoxides) and the induction efficiency of somatic embryogenesis in two Iranian superior cumin landraces (Golestan and North Khorasan). Cotyledons isolated from Golestan landrace seeds cultivated on MS medium supplemented with 0.1 mg/L kinetin proved to be the best primary explant for the induction of somatic embryogenesis as well as the regeneration of the whole plantlet. Results indicated that different developmental stages of somatic embryos were simultaneously observed on a callus with embryogenic potential. The high content of catalase, ascorbate peroxidase, proline, and terpenic hydrocarbons and low content of alcoholic and phenolic compositions had a stimulatory effect on somatic embryogenesis. Band patterns of RAPD markers in regenerated plants were different from those of the mother plants. This may be related to somaclonal variations or pollination system of cumin. Generally, measurement of chemical compositions can be used as a marker for evaluating the occurrence of somatic embryogenesis in cumin. Also, somaclonal variations of regenerated plants can be applied by the plant breeders in breeding programs. PMID:29234682

Program for the Division of Chemical Education: Chicago, March 25 29, 2007

NASA Astrophysics Data System (ADS)

Middlecamp, Catherine H.; Bodner, George M.; Jones, Wayne E., Jr.

2007-03-01

Program for the Division of Chemical Education March 2007 meeting in Chicago. All CHED technical sessions including the High School Program will be held in the McCormick Place Convention Complex North, 2301 South Lake Shore Drive. Exceptions are the Undergraduate Program (in the Westin Hotel Michigan Avenue), the Undergraduate Research Poster Sessions (in the Sheraton Chicago Hotel), and any evening programs. Unless otherwise noted, morning sessions begin at 8:30 a.m., afternoon sessions at 1:30 p.m.

Use of in Vitro HTS-Derived Concentration–Response Data as Biological Descriptors Improves the Accuracy of QSAR Models of in Vivo Toxicity

PubMed Central

Sedykh, Alexander; Zhu, Hao; Tang, Hao; Zhang, Liying; Richard, Ann; Rusyn, Ivan; Tropsha, Alexander

2011-01-01

Background Quantitative high-throughput screening (qHTS) assays are increasingly being used to inform chemical hazard identification. Hundreds of chemicals have been tested in dozens of cell lines across extensive concentration ranges by the National Toxicology Program in collaboration with the National Institutes of Health Chemical Genomics Center. Objectives Our goal was to test a hypothesis that dose–response data points of the qHTS assays can serve as biological descriptors of assayed chemicals and, when combined with conventional chemical descriptors, improve the accuracy of quantitative structure–activity relationship (QSAR) models applied to prediction of in vivo toxicity end points. Methods We obtained cell viability qHTS concentration–response data for 1,408 substances assayed in 13 cell lines from PubChem; for a subset of these compounds, rodent acute toxicity half-maximal lethal dose (LD50) data were also available. We used the k nearest neighbor classification and random forest QSAR methods to model LD50 data using chemical descriptors either alone (conventional models) or combined with biological descriptors derived from the concentration–response qHTS data (hybrid models). Critical to our approach was the use of a novel noise-filtering algorithm to treat qHTS data. Results Both the external classification accuracy and coverage (i.e., fraction of compounds in the external set that fall within the applicability domain) of the hybrid QSAR models were superior to conventional models. Conclusions Concentration–response qHTS data may serve as informative biological descriptors of molecules that, when combined with conventional chemical descriptors, may considerably improve the accuracy and utility of computational approaches for predicting in vivo animal toxicity end points. PMID:20980217

Calibration and use of the polar organic chemical integrative sampler--a critical review.

PubMed

Harman, Christopher; Allan, Ian John; Vermeirssen, Etiënne L M

2012-12-01

The implementation of strict environmental quality standards for polar organic priority pollutants poses a challenge for monitoring programs. The polar organic chemical integrative sampler (POCIS) may help to address the challenge of measuring low and fluctuating trace concentrations of such organic contaminants, offering significant advantages over traditional sampling. In the present review, the authors evaluate POCIS calibration methods and factors affecting sampling rates together with reported environmental applications. Over 300 compounds have been shown to accumulate in POCIS, including pesticides, pharmaceuticals, hormones, and industrial chemicals. Polar organic chemical integrative sampler extracts have been used for both chemical and biological analyses. Several different calibration methods have been described, which makes it difficult to directly compare sampling rates. In addition, despite the fact that some attempts to correlate sampling rates with the properties of target compounds such as log K(OW) have been met with varying success, an overall model that can predict uptake is lacking. Furthermore, temperature, water flow rates, salinity, pH, and fouling have all been shown to affect uptake; however, there is currently no robust method available for adjusting for these differences. Overall, POCIS has been applied to a wide range of sampling environments and scenarios and has been proven to be a useful screening tool. However, based on the existing literature, a more mechanistic approach is required to increase understanding and thus improve the quantitative nature of the measurements. Copyright © 2012 SETAC.

High Molecular Weight Polymers in the New Chemicals Program

EPA Pesticide Factsheets

There are three categories or types of High Molecular Weight (HMW, 10,000 daltons) polymers typically reviewed by the New Chemicals Program: Soluble, insoluble, and water absorbing. Each of the three types are treated differently.

Chemical Dependency Content in CSWE Accredited BSW Programs: A Survey of Course Content and Implications for Further Curricula Development.

ERIC Educational Resources Information Center

Jarrett, Herbert H.; Howard, Mary C.

1993-01-01

Reports on responses from 61 accredited baccalaureate programs of social work surveyed concerning inclusion of courses and instructional materials on alcoholism/chemical dependency in curricula, use made of 12-step programs and recovering people, and whether spirituality aspects were addressed. Concludes that content on alcoholism and chemical…

The Power of Peer Mentoring in Enabling a Diverse and Inclusive Environment in a Chemical Engineering Graduate Program

ERIC Educational Resources Information Center

Bôas Fávero, Cláudio Vilas; Moran, Shannon; Eniola-Adefeso, Omolola

2018-01-01

The Chemical Engineering graduate program at the University of Michigan implemented a peer mentoring program for PhD students, with the goal of fostering department inclusivity and improved academic outcomes through facilitated social and academic activities in diverse, small groups. In this article, we detail the peer mentoring program…

34 CFR 400.9 - What additional requirements govern the Vocational and Applied Technology Education Programs?

Code of Federal Regulations, 2010 CFR

2010-07-01

... Applied Technology Education Programs? 400.9 Section 400.9 Education Regulations of the Offices of the... VOCATIONAL AND APPLIED TECHNOLOGY EDUCATION PROGRAMS-GENERAL PROVISIONS § 400.9 What additional requirements govern the Vocational and Applied Technology Education Programs? In addition to the Act, applicable...

34 CFR 400.9 - What additional requirements govern the Vocational and Applied Technology Education Programs?

Code of Federal Regulations, 2012 CFR

2012-07-01

... Applied Technology Education Programs? 400.9 Section 400.9 Education Regulations of the Offices of the... VOCATIONAL AND APPLIED TECHNOLOGY EDUCATION PROGRAMS-GENERAL PROVISIONS § 400.9 What additional requirements govern the Vocational and Applied Technology Education Programs? In addition to the Act, applicable...

34 CFR 400.9 - What additional requirements govern the Vocational and Applied Technology Education Programs?

Code of Federal Regulations, 2014 CFR

2014-07-01

... Applied Technology Education Programs? 400.9 Section 400.9 Education Regulations of the Offices of the... VOCATIONAL AND APPLIED TECHNOLOGY EDUCATION PROGRAMS-GENERAL PROVISIONS § 400.9 What additional requirements govern the Vocational and Applied Technology Education Programs? In addition to the Act, applicable...

34 CFR 400.9 - What additional requirements govern the Vocational and Applied Technology Education Programs?

Code of Federal Regulations, 2011 CFR

2011-07-01

... Applied Technology Education Programs? 400.9 Section 400.9 Education Regulations of the Offices of the... VOCATIONAL AND APPLIED TECHNOLOGY EDUCATION PROGRAMS-GENERAL PROVISIONS § 400.9 What additional requirements govern the Vocational and Applied Technology Education Programs? In addition to the Act, applicable...

34 CFR 400.9 - What additional requirements govern the Vocational and Applied Technology Education Programs?

Code of Federal Regulations, 2013 CFR

2013-07-01

... Applied Technology Education Programs? 400.9 Section 400.9 Education Regulations of the Offices of the... VOCATIONAL AND APPLIED TECHNOLOGY EDUCATION PROGRAMS-GENERAL PROVISIONS § 400.9 What additional requirements govern the Vocational and Applied Technology Education Programs? In addition to the Act, applicable...

34 CFR 263.3 - What definitions apply to the Professional Development program?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 34 Education 1 2011-07-01 2011-07-01 false What definitions apply to the Professional Development... Professional Development Program § 263.3 What definitions apply to the Professional Development program? The following definitions apply to the Professional Development program: Bureau-funded school means a Bureau...

First measurements of the scope for growth (SFG) in mussels from a large scale survey in the North-Atlantic Spanish coast.

PubMed

Albentosa, Marina; Viñas, Lucía; Besada, Victoria; Franco, Angeles; González-Quijano, Amelia

2012-10-01

SFG and physiological rates were measured in wild mussels from the Spanish Marine Pollution monitoring program (SMP) in order to determine seawater quality. It consists of 41 stations, covering almost 2500 km of coast, making the SMP the widest-ranging monitoring network in the Iberian Peninsula's Atlantic region. Results of the 2007 and 2008 surveys when 39 sites were sampled: (20 in 2007 and 19 in 2008, being 8 sites sampled both years) were presented. Chemical analyses were carried out to determine the relationships between physiological rates and the accumulation of toxic compounds. Data presented are the first to become available on the use of SFG as a biomarker of the marine environment on a large spatial scale (>1000 km) along Spain's Atlantic seaboard. SFG values enable significant differences to be established between the areas sampled and between the two years surveyed. The integration of biological and chemical data suggests that certain organochlorine compounds, namely chlordanes and DDTs, may have a negative effect on SFG, although such an effect is of a lesser magnitude than that associated with certain biological parameters such as condition index and mussel age. These variables act as confounding factors when attempting to determine the effect of chemical compounds present in the marine environment on mussel SFG. Further research is therefore needed on the relation between these confounding factors and SFG in order to apply the relevant corrective strategies to enable this index to be used in monitoring programs. The effect of these confounding factors is more clearly revealed in studies that cover a wide-ranging spatial and time scale, such as those carried out within the SMP. These results do not invalidate the use of biological data in monitoring programs, but rather point to the need to analyze all the factors affecting each biological process. Copyright © 2012 Elsevier B.V. All rights reserved.

Green Chemistry at the present in Korea.

PubMed

Lee, Seung-Kyu; Park, Hyeon-Soo

2015-01-01

Despite the great contribution made by chemical substances to the development of modern civilization, their indiscriminate use has caused various kinds of damage to the global environment and human beings. Accordingly, the major developed countries and international society have tried to ensure the safe use of chemicals and a reduction in the use of hazardous chemicals through the establishment of the United Nations Environment Programme and various international agreements. In this reason, we tried to introduce about Green Chemistry progress at the present in worldwide and Korea. We checked and analyzed relative journals, reports using keyword as like Green Chemistry, alternative chemicals, eco-friendly etc. and major country's government homepage search. Green Chemistry theory, which argues for the reduction or removal of harmfulness in chemicals throughout their entire life-cycle, has been spreading, and major developed countries, such as the US and Denmark, have developed and operate programs to provide reliable chemical information to help replace hazardous chemicals. Korea has also been conducting studies as like eco-innovation project. Through this project the "Alternative Chemical Search program," has been developed, distributed, and operated since 2011 to provide reliable information to small and medium-sized businesses that have difficulties collecting information to ensure conformity to international regulations. The program provides information that includes the regulations of major countries and Korea, information on 340 alternative chemicals, 70 application cases, and 1:1 consulting. The Alternative Chemical Search program is expected to contribute to the establishment of response systems for regulation of Korean small and medium-sized businesses, and it also will be used to provide basic data for Korean hazardous chemical regulation, together with the Act on the Registration and Evaluation, etc. of Chemical Substances and the Chemical Control act, making it possible to establish an infrastructure for Green Chemistry in Korea and to increase national competitiveness.

Electrofluidic gating of a chemically reactive surface.

PubMed

Jiang, Zhijun; Stein, Derek

2010-06-01

We consider the influence of an electric field applied normal to the electric double layer at a chemically reactive surface. Our goal is to elucidate how surface chemistry affects the potential for field-effect control over micro- and nanofluidic systems, which we call electrofluidic gating. The charging of a metal-oxide-electrolyte (MOE) capacitor is first modeled analytically. We apply the Poisson-Boltzmann description of the double layer and impose chemical equilibrium between the ionizable surface groups and the solution at the solid-liquid interface. The chemically reactive surface is predicted to behave as a buffer, regulating the charge in the double layer by either protonating or deprotonating in response to the applied field. We present the dependence of the charge density and the electrochemical potential of the double layer on the applied field, the density, and the dissociation constants of ionizable surface groups and the ionic strength and the pH of the electrolyte. We simulate the responses of SiO(2) and Al(2)O(3), two widely used oxide insulators with different surface chemistries. We also consider the limits to electrofluidic gating imposed by the nonlinear behavior of the double layer and the dielectric strength of oxide materials, which were measured for SiO(2) and Al(2)O(3) films in MOE configurations. Our results clarify the response of chemically reactive surfaces to applied fields, which is crucial to understanding electrofluidic effects in real devices.

General chemical kinetics computer program for static and flow reactions, with application to combustion and shock-tube kinetics

NASA Technical Reports Server (NTRS)

Bittker, D. A.; Scullin, V. J.

1972-01-01

A general chemical kinetics program is described for complex, homogeneous ideal-gas reactions in any chemical system. Its main features are flexibility and convenience in treating many different reaction conditions. The program solves numerically the differential equations describing complex reaction in either a static system or one-dimensional inviscid flow. Applications include ignition and combustion, shock wave reactions, and general reactions in a flowing or static system. An implicit numerical solution method is used which works efficiently for the extreme conditions of a very slow or a very fast reaction. The theory is described, and the computer program and users' manual are included.

The ToxCast Chemical Landscape - Paving the Road to 21st ...

EPA Pesticide Factsheets

The ToxCast high-throughput screening (HTS) program within the U.S. Environmental Protection Agency (EPA) was launched in 2007. Phase I of the program screened 310 chemicals, mostly pesticides, across hundreds of ToxCast assay endpoints. In Phase II, the ToxCast library was expanded to 1878 chemicals, culminating in public release of screening data at the end of 2013. Concurrently, a larger EPA library of 3726 chemicals (including the Phase II chemicals) was undergoing screening in the cross-federal agency Tox21 HTS project. Four years later, Phase III of EPA’s ToxCast program is actively screening a diverse library consisting of more than 3800 chemicals, 96% of which are also undergoing Tox21 screening. The majority of ToxCast studies, to date, have focused on using HTS results to build biologically based models for predicting in vivo toxicity endpoints. The focus of the present article, in contrast, is on the EPA chemical library underpinning these efforts. A history of the phased construction of EPA’s ToxCast library is presented, considering factors influencing chemical selection as well as the various quality measures implemented. Next, Chemical Abstracts Service Registry Numbers (CASRN), which were used to compile initial chemical nominations for ToxCast testing, are used to assess overlaps of the current ToxCast library with important toxicity, regulatory, and exposure inventories. Lastly, ToxCast chemicals are described in terms of generaliz

Probabilistic Exposure Analysis for Chemical Risk Characterization

PubMed Central

Bogen, Kenneth T.; Cullen, Alison C.; Frey, H. Christopher; Price, Paul S.

2009-01-01

This paper summarizes the state of the science of probabilistic exposure assessment (PEA) as applied to chemical risk characterization. Current probabilistic risk analysis methods applied to PEA are reviewed. PEA within the context of risk-based decision making is discussed, including probabilistic treatment of related uncertainty, interindividual heterogeneity, and other sources of variability. Key examples of recent experience gained in assessing human exposures to chemicals in the environment, and other applications to chemical risk characterization and assessment, are presented. It is concluded that, although improvements continue to be made, existing methods suffice for effective application of PEA to support quantitative analyses of the risk of chemically induced toxicity that play an increasing role in key decision-making objectives involving health protection, triage, civil justice, and criminal justice. Different types of information required to apply PEA to these different decision contexts are identified, and specific PEA methods are highlighted that are best suited to exposure assessment in these separate contexts. PMID:19223660

Advanced physical-chemical life support systems research

NASA Technical Reports Server (NTRS)

Evanich, Peggy L.

1988-01-01

A proposed NASA space research and technology development program will provide adequate data for designing closed loop life support systems for long-duration manned space missions. This program, referred to as the Pathfinder Physical-Chemical Closed Loop Life Support Program, is to identify and develop critical chemical engineering technologies for the closure of air and water loops within the spacecraft, surface habitats or mobility devices. Computerized simulation can be used both as a research and management tool. Validated models will guide the selection of the best known applicable processes and in the development of new processes. For the integration of the habitat system, a biological subsystem would be introduced to provide food production and to enhance the physical-chemical life support functions on an ever-increasing basis.

Framework for a ground-water quality monitoring and assessment program for California

USGS Publications Warehouse

Belitz, Kenneth; Dubrovsky, Neil M.; Burow, Karen; Jurgens, Bryant C.; John, Tyler

2003-01-01

The State of California uses more ground water than any other State in the Nation. With a population of over 30 million people, an agricultural economy based on intensive irrigation, large urban industrial areas, and naturally elevated concentrations of some trace elements, there is a wide range of contaminant sources that have the potential to contaminate ground water and limit its beneficial uses. In response to the many-and different-potential sources of ground-water contamination, the State of California has evolved an extensive set of rules and programs to protect ground-water quality, and agencies to implement the rules and programs. These programs have in common a focus on compliance with regulations governing chemical use and (or) ground-water quality. Although appropriate for, and successful at, their specific missions, these programs do not at present provide a comprehensive view of ground-water quality in the State of California. In October 2001, The California Assembly passed a bill, AB 599, establishing the Ground-Water- Quality Monitoring Act of 2001.' The goal of AB 599 is to improve Statewide comprehensive ground-water monitoring and increase availability of information about ground-water quality to the public. AB 599 requires the State Water Resources Control Board (SWRCB), in collaboration with an interagency task force (ITF) and a public advisory committee (PAC), to develop a plan for a comprehensive ground-water monitoring program. AB 599 specifies that the comprehensive program should be capable of assessing each ground-water basin in the State through direct and other statistically reliable sampling approaches, and that the program should integrate existing monitoring programs and design new program elements, as necessary. AB 599 also stresses the importance of prioritizing ground-water basins that provide drinking water. The United States Geological Survey (USGS), in cooperation with the SWRCB, and in coordination with the ITF and PAC, has developed a framework for a comprehensive ground-water-quality monitoring and assessment program for California. The proposed framework relies extensively on previous work conducted by the USGS through its National Water-Quality Assessment (NAWQA) program. In particular, the NAWQA program defines three types of ground-water assessment: (1) status, the assessment of the current quality of the ground-water resource; (2) trends, the detection of changes in water quality, and (3) understanding, assessing the human and natural factors that affect ground-water quality. A Statewide, comprehensive ground-water quality-monitoring and assessment program is most efficiently accomplished by applying uniform and consistent study-design and data-collection protocols to the entire State. At the same time, a comprehensive program should be relevant at a variety of scales, and therefore needs to retain flexibility to address regional and local issues. Consequently, many of the program components include a predominant element that will be consistently applied in all basins, and a secondary element that may be applied in specific basins where local conditions warrant attention.

The Advanced Industrial Materials (AIM) program office of industrial technologies fiscal year 1995

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sorrell, C.A.

1997-04-01

In many ways, the Advanced Industrial Materials (AIM) Program underwent a major transformation in FY95 and these changes have continued to the present. When the Program was established in 1990 as the Advanced Industrial Concepts (AIC) Materials Program, the mission was to conduct applied research and development to bring materials and processing technologies from the knowledge derived from basic research to the maturity required for the end use sectors for commercialization. In 1995, the Office of Industrial Technologies (OIT) made radical changes in structure and procedures. All technology development was directed toward the seven `Vision Industries` that use about 80%more » of industrial energy and generated about 90% of industrial wastes. These are: aluminium; chemical; forest products; glass; metal casting; refineries; and steel. OIT is working with these industries, through appropriate organizations, to develop Visions of the desired condition of each industry some 20 to 25 years in the future and then to prepare Road Maps and Implementation Plans to enable them to reach their goals. The mission of AIM has, therefore, changed to `Support development and commercialization of new or improved materials to improve productivity, product quality, and energy efficiency in the major process industries.`« less

Single-Cell RNA-Seq Reveals Dynamic Early Embryonic-like Programs during Chemical Reprogramming.

PubMed

Zhao, Ting; Fu, Yao; Zhu, Jialiang; Liu, Yifang; Zhang, Qian; Yi, Zexuan; Chen, Shi; Jiao, Zhonggang; Xu, Xiaochan; Xu, Junquan; Duo, Shuguang; Bai, Yun; Tang, Chao; Li, Cheng; Deng, Hongkui

2018-06-12

Chemical reprogramming provides a powerful platform for exploring the molecular dynamics that lead to pluripotency. Although previous studies have uncovered an intermediate extraembryonic endoderm (XEN)-like state during this process, the molecular underpinnings of pluripotency acquisition remain largely undefined. Here, we profile 36,199 single-cell transcriptomes at multiple time points throughout a highly efficient chemical reprogramming system using RNA-sequencing and reconstruct their progression trajectories. Through identifying sequential molecular events, we reveal that the dynamic early embryonic-like programs are key aspects of successful reprogramming from XEN-like state to pluripotency, including the concomitant transcriptomic signatures of two-cell (2C) embryonic-like and early pluripotency programs and the epigenetic signature of notable genome-wide DNA demethylation. Moreover, via enhancing the 2C-like program by fine-tuning chemical treatment, the reprogramming process is remarkably accelerated. Collectively, our findings offer a high-resolution dissection of cell fate dynamics during chemical reprogramming and shed light on mechanistic insights into the nature of induced pluripotency. Copyright © 2018 Elsevier Inc. All rights reserved.

34 CFR 280.3 - What regulations apply to this program?

Code of Federal Regulations, 2012 CFR

2012-07-01

... SECONDARY EDUCATION, DEPARTMENT OF EDUCATION MAGNET SCHOOLS ASSISTANCE PROGRAM General § 280.3 What regulations apply to this program? The following regulations apply to the Magnet Schools Assistance Program... Department of Education programs and activities), 80 (Uniform Administrative Requirements for Grants and...

34 CFR 280.3 - What regulations apply to this program?

Code of Federal Regulations, 2010 CFR

2010-07-01

... SECONDARY EDUCATION, DEPARTMENT OF EDUCATION MAGNET SCHOOLS ASSISTANCE PROGRAM General § 280.3 What regulations apply to this program? The following regulations apply to the Magnet Schools Assistance Program... Department of Education programs and activities), 80 (Uniform Administrative Requirements for Grants and...

34 CFR 280.3 - What regulations apply to this program?

Code of Federal Regulations, 2013 CFR

2013-07-01

... SECONDARY EDUCATION, DEPARTMENT OF EDUCATION MAGNET SCHOOLS ASSISTANCE PROGRAM General § 280.3 What regulations apply to this program? The following regulations apply to the Magnet Schools Assistance Program... Department of Education programs and activities), 80 (Uniform Administrative Requirements for Grants and...

34 CFR 280.3 - What regulations apply to this program?

Code of Federal Regulations, 2014 CFR

2014-07-01

... SECONDARY EDUCATION, DEPARTMENT OF EDUCATION MAGNET SCHOOLS ASSISTANCE PROGRAM General § 280.3 What regulations apply to this program? The following regulations apply to the Magnet Schools Assistance Program... Department of Education programs and activities), 80 (Uniform Administrative Requirements for Grants and...

34 CFR 280.3 - What regulations apply to this program?

Code of Federal Regulations, 2011 CFR

2011-07-01

... SECONDARY EDUCATION, DEPARTMENT OF EDUCATION MAGNET SCHOOLS ASSISTANCE PROGRAM General § 280.3 What regulations apply to this program? The following regulations apply to the Magnet Schools Assistance Program... Department of Education programs and activities), 80 (Uniform Administrative Requirements for Grants and...

Thermal desorption of dimethyl methylphosphonate from MoO 3

DOE PAGES

Head, Ashley R.; Tang, Xin; Hicks, Zachary; ...

2017-03-03

Organophosphonates are used as chemical warfare agents, pesticides, and corrosion inhibitors. New materials for the sorption, detection, and decomposition of these compounds are urgently needed. To facilitate materials and application innovation, a better understanding of the interactions between organophosphonates and surfaces is required. To this end, we have used diffuse reflectance infrared Fourier transform spectroscopy to investigate the adsorption geometry of dimethyl methylphosphonate (DMMP) on MoO 3, a material used in chemical warfare agent filtration devices. We further applied ambient pressure X-ray photoelectron spectroscopy and temperature programmed desorption to study the adsorption and desorption of DMMP. While DMMP adsorbs intactmore » on MoO 3, desorption depends on coverage and partial pressure. At low coverages under UHV conditions, the intact adsorption is reversible. Decomposition occurs with higher coverages, as evidenced by PCH x and PO x decomposition products on the MoO 3 surface. Heating under mTorr partial pressures of DMMP results in product accumulation.« less

Chemical Equilibrium And Transport (CET)

NASA Technical Reports Server (NTRS)

Mcbride, B. J.

1991-01-01

Powerful, machine-independent program calculates theoretical thermodynamic properties of chemical systems. Aids in design of compressors, turbines, engines, heat exchangers, and chemical processing equipment.

34 CFR 403.1 - What is the State Vocational and Applied Technology Education Program?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 34 Education 3 2010-07-01 2010-07-01 false What is the State Vocational and Applied Technology... TECHNOLOGY EDUCATION PROGRAM General § 403.1 What is the State Vocational and Applied Technology Education Program? (a) Under the State Vocational and Applied Technology Education Program, the Secretary makes...

34 CFR 389.3 - What regulations apply to this program?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 34 Education 2 2010-07-01 2010-07-01 false What regulations apply to this program? 389.3 Section 389.3 Education Regulations of the Offices of the Department of Education (Continued) OFFICE OF... PROGRAMS General § 389.3 What regulations apply to this program? The following regulations apply to this...

34 CFR 389.4 - What definitions apply to this program?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 34 Education 2 2010-07-01 2010-07-01 false What definitions apply to this program? 389.4 Section 389.4 Education Regulations of the Offices of the Department of Education (Continued) OFFICE OF... PROGRAMS General § 389.4 What definitions apply to this program? The definitions in 34 CFR part 385 apply...

34 CFR 389.4 - What definitions apply to this program?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 34 Education 2 2011-07-01 2010-07-01 true What definitions apply to this program? 389.4 Section 389.4 Education Regulations of the Offices of the Department of Education (Continued) OFFICE OF... PROGRAMS General § 389.4 What definitions apply to this program? The definitions in 34 CFR part 385 apply...

34 CFR 389.3 - What regulations apply to this program?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 34 Education 2 2011-07-01 2010-07-01 true What regulations apply to this program? 389.3 Section 389.3 Education Regulations of the Offices of the Department of Education (Continued) OFFICE OF... PROGRAMS General § 389.3 What regulations apply to this program? The following regulations apply to this...

Identification and description of low-molecular weight chemicals inducing hypersensitivity in man

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mari, A.; Misiti, D.; Dorello-Misiti, P.

1988-10-01

The purpose of this study is to compose a list of allergenic chemicals. Each chemical is described in a monograph. The objective of such a monograph program is to collect from the international scientific literature available relevant experimental, chemical, and epidemiological data on chemicals to which humans are known to be exposed and sensitized. A list of 721 chemicals, with related synonyms and trade names, that induce allergic responses and hypersensitivities was prepared. The chemicals were selected on the basis of evidence of human exposure and sensitization. Each monograph contains several data considered relevant to the evaluation of the sensitizingmore » hazards of chemical substances. The data are divided in three sections: chemical identity, sensitizing power, and occurrence. All the data contained in the monographs along with the references and the synonyms are stored in a database application computer program. Preliminary results of 308 of 721 monographs analyzed are reported.« less

Development of a Spray System for an Unmanned Aerial Vehicle Platform

DTIC Science & Technology

2008-09-01

Applied Engineering in Agriculture Vol. 25(6): 803‐809 2009 American Society of Agricultural and Biological Engineers ISSN 0883-8542 803...Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18 804 APPLIED ENGINEERING IN AGRICULTURE non‐chemical or least toxic chemical techniques...and electrically shielded (fig. 4). 806 APPLIED ENGINEERING IN AGRICULTURE Figure 2. Computer‐aided model and design of the tank with baffles, and

APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, H.D.

1991-11-01

Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a ``glass like`` material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable tomore » other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.« less

APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, H.D.

1991-11-01

Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a glass like'' material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable tomore » other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.« less

Experimental and theoretical studies on the gas/solid/gas transformation cycle in extraterrestrial environments

NASA Astrophysics Data System (ADS)

Cottin, Hervé; Gazeau, Marie-Claire; Chaquin, Patrick; Raulin, François; Bénilan, Yves

2001-12-01

The ubiquity of molecular material in the universe, from hydrogen to complex organic matter, is the result of intermixed physicochemical processes that have occurred throughout history. In particular, the gas/solid/gas phase transformation cycle plays a key role in chemical evolution of organic matter from the interstellar medium to planetary systems. This paper focuses on two examples that are representative of the diversity of environments where such transformations occur in the Solar System: (1) the photolytic evolution from gaseous to solid material in methane containing planetary atmospheres and (2) the degradation of high molecular weight compounds into gas phase molecules in comets. We are currently developing two programs which couple experimental and theoretical studies. The aim of this research is to provide data necessary to build models in order to better understand (1) the photochemical evolution of Titan's atmosphere, through a laboratory program to determine quantitative spectroscopic data on long carbon chain molecules (polyynes) obtained in the SCOOP program (French acronym for Spectroscopy of Organic Compounds Oriented for Planetology), and (2) the extended sources in comets, through a laboratory program of quantitative studies of photochemical and thermal degradation processes on relevant polymers (e.g., Polyoxymethylene) by the SEMAPhOrE Cometaire program (French acronym for Experimental Simulation and Modeling Applied to Organic Chemistry in Cometary Environment).

Analysis of efficiency of waste reverse logistics for recycling.

PubMed

Veiga, Marcelo M

2013-10-01

Brazil is an agricultural country with the highest pesticide consumption in the world. Historically, pesticide packaging has not been disposed of properly. A federal law requires the chemical industry to provide proper waste management for pesticide-related products. A reverse logistics program was implemented, which has been hailed a great success. This program was designed to target large rural communities, where economy of scale can take place. Over the last 10 years, the recovery rate has been very poor in most small rural communities. The objective of this study was to analyze the case of this compulsory reverse logistics program for pesticide packaging under the recent Brazilian Waste Management Policy, which enforces recycling as the main waste management solution. This results of this exploratory research indicate that despite its aggregate success, the reverse logistics program is not efficient for small rural communities. It is not possible to use the same logistic strategy for small and large communities. The results also indicate that recycling might not be the optimal solution, especially in developing countries with unsatisfactory recycling infrastructure and large transportation costs. Postponement and speculation strategies could be applied for improving reverse logistics performance. In most compulsory reverse logistics programs, there is no economical solution. Companies should comply with the law by ranking cost-effective alternatives.

CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

NASA Technical Reports Server (NTRS)

Mcbride, B.

1994-01-01

Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for some input in NAMELIST format. It requires about 423 KB memory, and is designed to be used on mainframe, workstation, and mini computers. Due to its memory requirements, this program does not readily lend itself to implementation on MS-DOS based machines.

Computer Program for the Calculation of Multicomponent Convective Diffusion Deposition Rates from Chemically Frozen Boundary Layer Theory

NASA Technical Reports Server (NTRS)

Gokoglu, S. A.; Chen, B. K.; Rosner, D. E.

1984-01-01

The computer program based on multicomponent chemically frozen boundary layer (CFBL) theory for calculating vapor and/or small particle deposition rates is documented. A specific application to perimter-averaged Na2SO4 deposition rate calculations on a cylindrical collector is demonstrated. The manual includes a typical program input and output for users.

"Helpful People in Touch" Consumer Led Self Help Programs for People with Multiple Disorders, Mental Illness, Drug Addiction, and Alcoholism (MIDAA).

ERIC Educational Resources Information Center

Sciacca, Kathleen

This paper describes the consumer program, "Helpful People in Touch," a self-help treatment program for people with the multiple disorders of mental illness, drug addiction, and/or alcoholism. First, the terms, "Mentally Ill Chemical Abusers and Addicted" (MICAA) and "Chemical Abusing Mentally Ill" (CAMI) are defined…

How EPA Assesses Chemical Safety

EPA Pesticide Factsheets

EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

Current Chemical Risk Management Activities

EPA Pesticide Factsheets

EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szluha, A.; Morrison, A.; Heckman, C.

Physico-chemical criteria were established and subjected to the chemical compounds listed in CHRIS to select those chemicals which are immiscible and float on water. This information was compiled in a menu-driven data base for easy access. As the result of this work, 294 CHRIS chemicals were found to be floaters. A literature review was conducted also to review available spill containment and recovery equipment and techniques for the application toward floating hazardous chemical spills. No single technology or equipment was found to effectively apply for the containment and recovery of spilled floating chemicals. Specific deficiencies and problems inherent in existingmore » technologies were identified. A hazard and toxicity ranking system was developed and applied to the floating chemicals for groupings by degrees of flammability and toxicity hazards. These groupings include highly flammable through noncombustible and highly toxic through non-toxic and the combination of degrees of hazards.« less

Chemical kinetics as a contract sport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolb, C.E.

1990-01-01

Earlier in this century chemical kinetics was a basic physical chemistry research topic widely pursued in leading academic chemistry departments. Chemical kinetics now appears to be a discipline practiced chiefly for its applications to societal problems. The chemical kinetics activities directed by D.M. Golden at SRI International are strikingly successful in generating data for key applied problems while at the same time advancing our understanding of chemical kinetics as a scientific discipline. In this talk, the author will contrast the chemical kinetics activities in two contract R D laboratories, one on the right side of the U.S. (ARI) and themore » other on the left (SRI). Their approach to common applied problems ranging from stratospheric heterogeneous kinetics to plasma etching systems for semiconductor processing will be compared and contrasted. Empirically discovered Golden Rules for the pursuit of quality chemical kinetics research in a contract R D environment will be presented and discussed.« less

Relationship between VOC and NOx emissions and chemical production of tropospheric ozone in the Aburrá Valley (Colombia).

PubMed

Toro, María Victoria; Cremades, Lázaro V; Calbó, Josep

2006-10-01

Relationship between volatile organic compounds (VOC) and nitrogen oxides (NOx) emissions and the chemical production of tropospheric ozone is studied through mathematical simulation. The study is applied to the Aburrá Valley, in the Colombian Andes, which is a practically unknown area from the point of view of ozone formation. The model used for this application is the European modelling of atmospheric constituents (EUMAC) zooming model (EZM) which consists of a mesoscale prognostic model (MEMO, mesoscale meteorological model) and a chemical reaction model (MUSE, multiscale for the atmospheric dispersion of reactive species), coupled to the chemical mechanism EMEP (European monitoring and evaluation program). The analysis is performed for a real episode that was characterized by high ozone production and that happened during the 23rd and 24th December, 1999 in Medellín (Colombia). From this real scenario, a sensitivity analysis has been carried out in order to assess the influence of VOC and NOx amounts on ozone production and to extract some conclusions for future ozone abatement policies in Andean regions. As far as ozone air quality is concerned, it is shown that in order to keep current levels the emphasis must be put to avoid increasing NOx emissions, or alternatively, to augment VOC emissions in order to have a high VOC/NOx ratio.

Systematic analysis of Ca2+ homeostasis in Saccharomyces cerevisiae based on chemical-genetic interaction profiles

PubMed Central

Ghanegolmohammadi, Farzan; Yoshida, Mitsunori; Ohnuki, Shinsuke; Sukegawa, Yuko; Okada, Hiroki; Obara, Keisuke; Kihara, Akio; Suzuki, Kuninori; Kojima, Tetsuya; Yachie, Nozomu; Hirata, Dai; Ohya, Yoshikazu

2017-01-01

We investigated the global landscape of Ca2+ homeostasis in budding yeast based on high-dimensional chemical-genetic interaction profiles. The morphological responses of 62 Ca2+-sensitive (cls) mutants were quantitatively analyzed with the image processing program CalMorph after exposure to a high concentration of Ca2+. After a generalized linear model was applied, an analysis of covariance model was used to detect significant Ca2+–cls interactions. We found that high-dimensional, morphological Ca2+–cls interactions were mixed with positive (86%) and negative (14%) chemical-genetic interactions, whereas one-dimensional fitness Ca2+–cls interactions were all negative in principle. Clustering analysis with the interaction profiles revealed nine distinct gene groups, six of which were functionally associated. In addition, characterization of Ca2+–cls interactions revealed that morphology-based negative interactions are unique signatures of sensitized cellular processes and pathways. Principal component analysis was used to discriminate between suppression and enhancement of the Ca2+-sensitive phenotypes triggered by inactivation of calcineurin, a Ca2+-dependent phosphatase. Finally, similarity of the interaction profiles was used to reveal a connected network among the Ca2+ homeostasis units acting in different cellular compartments. Our analyses of high-dimensional chemical-genetic interaction profiles provide novel insights into the intracellular network of yeast Ca2+ homeostasis. PMID:28566553

40 CFR 68.69 - Operating procedures.

Code of Federal Regulations, 2010 CFR

2010-07-01

...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

40 CFR 68.69 - Operating procedures.

Code of Federal Regulations, 2011 CFR

2011-07-01

...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

40 CFR 68.69 - Operating procedures.

Code of Federal Regulations, 2014 CFR

2014-07-01

...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

40 CFR 68.69 - Operating procedures.

Code of Federal Regulations, 2013 CFR

2013-07-01

...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

40 CFR 68.65 - Process safety information.

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.65 Process safety... data; (4) Reactivity data: (5) Corrosivity data; (6) Thermal and chemical stability data; and (7... operator shall document that equipment complies with recognized and generally accepted good engineering...

40 CFR 68.69 - Operating procedures.

Code of Federal Regulations, 2012 CFR

2012-07-01

...) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.69 Operating procedures. (a) The... presented by, the chemicals used in the process; (ii) Precautions necessary to prevent exposure, including engineering controls, administrative controls, and personal protective equipment; (iii) Control measures to be...

CHEMICAL INDUCTION MIXER VERIFICATION - ENVIRONMENTAL TECHNOLOGY VERIFICATION PROGRAM

EPA Science Inventory

The Wet-Weather Flow Technologies Pilot of the Environmental Technology Verification (ETV) Program, which is supported by the U.S. Environmental Protection Agency and facilitated by NSF International, has recently evaluated the performance of chemical induction mixers used for di...

Evaluation of a model community-wide bed bug management program in affordable housing.

PubMed

Cooper, Richard A; Wang, Changlu; Singh, Narinderpal

2016-01-01

Low-income apartment communities in the United States are suffering from disproportionally high bed bug, Cimex lectularius L., infestations owing to lack of effective monitoring and treatment. Studies examining the effectiveness of integrated pest management (IPM) for the control of bed bugs in affordable housing have been limited to small subsets of bed-bug-infested apartments, rather than at the apartment community level. We developed, implemented and evaluated a complex-wide IPM program for bed bugs in an affordable housing community. Proactive inspections and biweekly treatments using a combination of non-chemical and chemical methods until bed bugs were not detected for three biweekly monitoring visits were key elements of the IPM program. A total of 55 bed-bug-infested apartments were identified during the initial inspection. Property management was unaware of 71% of these infestations. Over the next 12 months, 14 additional infested apartments were identified. The IPM program resulted in a 98% reduction in bed bug counts among treated apartments and reduced infestation rates from 15 to 2.2% after 12 months. Adopting a complex-wide bed bug IPM program, incorporating proactive monitoring, and biweekly treatments of infested apartments utilizing non-chemical and chemical methods can successfully reduce infestation rates to very low levels. © 2015 Society of Chemical Industry.

Environmental Sciences Division annual progress report for period ending September 30, 1990

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1991-04-01

The Environmental Sciences Division (ESD) of Oak Ridge National Laboratory (ORNL) conducts research on the environmental aspects of existing and emerging energy systems and applies this information to ensure that technology development and energy use are consistent with national environmental health and safety goals. Offering an interdisciplinary resource of staff and facilities to address complex environmental problems, the division is currently providing technical leadership for major environmental issues of national concern: (1) acidic deposition and related environmental effects, (2) effects of increasing concentrations of atmospheric CO{sub 2} and the resulting climatic changes to ecosystems and natural and physical resources, (3)more » hazardous chemical and radioactive waste disposal and remediation research and development, and (4) development of commercial biomass energy production systems. This progress report outlines ESD's accomplishments in these and other areas in FY 1990. Individual reports are processed separately for the data bases in the following areas: ecosystem studies; environmental analyses; environmental toxicology; geosciences; technical and administrative support; biofuels feedstock development program; carbon dioxide information analysis and research program; and environmental waste program.« less

Forensic continuum of care with Assertive Community Treatment (ACT) for persons recovering from co-occurring disabilities: long-term outcomes.

PubMed

Smith, Ronald J; Jennings, Jerry L; Cimino, Anthony

2010-01-01

This study presents the long-term outcomes of a continuum of care program for co-occurring psychiatric disabilities and chemical dependency that has been recognized as a best practice model by the American Psychological Association's Committee for the Advancement of Professional Practice's Task Force on Serious Mental Illness and Severe Emotional Disturbance (APA/CAPP, 2007). Since publication of the initial positive outcomes for 18 men in 2002, this innovative recovery program continued to successfully reintegrate a total of 91 men and women with severe co-occurring disabilities who had been acquitted of violent crimes by reason of insanity (NGRI). This follow-up study showed continued positive outcomes for an additional 73 program graduates in terms of non-reoffending, psychiatric stability, substance abuse abstinence, stable housing and meaningful activity. In contrast to other studies that have applied Assertive Community Treatment and Intensive Case Management to populations with forensic issues and failed to reduce criminal recidivism, this continuum of care recovery model had strong results in preventing criminal recidivism in addition to achieving improved mental health, abstinence and quality of life.

ToxCast Data Expands Universe of Chemical-Gene Interactions (SOT)

EPA Science Inventory

Characterizing the effects of chemicals in biological systems is often summarized by chemical-gene interactions, which have sparse coverage in literature. The ToxCast chemical screening program has produced bioactivity data for nearly 2000 chemicals and over 450 gene targets. Thi...

Reducing Future International Chemical and Biological Dangers.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haddal, Chad; Bull, Diana L.; Hernandez, Patricia Marie

The International Biological and Chemical Threat Reduction Program at Sandia National Laboratories is developing a 15 - year technology road map in support the United States Government efforts to reduce international chemical and biological dangers . In 2017, the program leadership chartered an analysis team to explore dangers in the future international chemical and biological landscape through engagements with national security experts within and beyond Sandia to gain a multidisciplinary perspective on the future . This report offers a hi gh level landscape of future chemical and biological dangers based upon analysis of those engagements and provides support for furthermore » technology road map development.« less

A computer program for two-dimensional and axisymmetric nonreacting perfect gas and equilibrium chemically reacting laminar, transitional and-or turbulent boundary layer flows

NASA Technical Reports Server (NTRS)

Miner, E. W.; Anderson, E. C.; Lewis, C. H.

1971-01-01

A computer program is described in detail for laminar, transitional, and/or turbulent boundary-layer flows of non-reacting (perfect gas) and reacting gas mixtures in chemical equilibrium. An implicit finite difference scheme was developed for both two dimensional and axisymmetric flows over bodies, and in rocket nozzles and hypervelocity wind tunnel nozzles. The program, program subroutines, variables, and input and output data are described. Also included is the output from a sample calculation of fully developed turbulent, perfect gas flow over a flat plate. Input data coding forms and a FORTRAN source listing of the program are included. A method is discussed for obtaining thermodynamic and transport property data which are required to perform boundary-layer calculations for reacting gases in chemical equilibrium.

34 CFR 400.1 - What is the purpose of the Vocational and Applied Technology Education Programs?

Code of Federal Regulations, 2011 CFR

2011-07-01

... Technology Education Programs? 400.1 Section 400.1 Education Regulations of the Offices of the Department of... APPLIED TECHNOLOGY EDUCATION PROGRAMS-GENERAL PROVISIONS § 400.1 What is the purpose of the Vocational and Applied Technology Education Programs? (a) The purpose of the Vocational and Applied Technology Education...

34 CFR 664.5 - What definitions apply to the Fulbright-Hays Group Projects Abroad Program?

Code of Federal Regulations, 2012 CFR

2012-07-01

... Projects Abroad Program? 664.5 Section 664.5 Education Regulations of the Offices of the Department of... PROJECTS ABROAD PROGRAM General § 664.5 What definitions apply to the Fulbright-Hays Group Projects Abroad... apply to this program: The following definitions apply to the Fulbright-Hays Group Projects Abroad...

34 CFR 664.5 - What definitions apply to the Fulbright-Hays Group Projects Abroad Program?

Code of Federal Regulations, 2014 CFR

2014-07-01

... Projects Abroad Program? 664.5 Section 664.5 Education Regulations of the Offices of the Department of... PROJECTS ABROAD PROGRAM General § 664.5 What definitions apply to the Fulbright-Hays Group Projects Abroad... apply to this program: The following definitions apply to the Fulbright-Hays Group Projects Abroad...

34 CFR 664.5 - What definitions apply to the Fulbright-Hays Group Projects Abroad Program?

Code of Federal Regulations, 2013 CFR

2013-07-01

... Projects Abroad Program? 664.5 Section 664.5 Education Regulations of the Offices of the Department of... PROJECTS ABROAD PROGRAM General § 664.5 What definitions apply to the Fulbright-Hays Group Projects Abroad... apply to this program: The following definitions apply to the Fulbright-Hays Group Projects Abroad...

34 CFR 664.5 - What definitions apply to the Fulbright-Hays Group Projects Abroad Program?

Code of Federal Regulations, 2010 CFR

2010-07-01

... Projects Abroad Program? 664.5 Section 664.5 Education Regulations of the Offices of the Department of... PROJECTS ABROAD PROGRAM General § 664.5 What definitions apply to the Fulbright-Hays Group Projects Abroad... apply to this program: The following definitions apply to the Fulbright-Hays Group Projects Abroad...

34 CFR 664.5 - What definitions apply to the Fulbright-Hays Group Projects Abroad Program?

Code of Federal Regulations, 2011 CFR

2011-07-01

... Projects Abroad Program? 664.5 Section 664.5 Education Regulations of the Offices of the Department of... PROJECTS ABROAD PROGRAM General § 664.5 What definitions apply to the Fulbright-Hays Group Projects Abroad... apply to this program: The following definitions apply to the Fulbright-Hays Group Projects Abroad...

Fact Sheet: Benzidine-Based Chemical Substances

EPA Pesticide Factsheets

EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

Chemical and Biological Sensing Using Hybridization Chain Reaction.

PubMed

Augspurger, Erik E; Rana, Muhit; Yigit, Mehmet V

2018-05-25

Since the advent of its theoretical discovery more than 30 years ago, DNA nanotechnology has been used in a plethora of diverse applications in both the fundamental and applied sciences. The recent prominence of DNA-based technologies in the scientific community is largely due to the programmable features stored in its nucleobase composition and sequence, which allow it to assemble into highly advanced structures. DNA nanoassemblies are also highly controllable due to the precision of natural and artificial base-pairing, which can be manipulated by pH, temperature, metal ions, and solvent types. This programmability and molecular-level control have allowed scientists to create and utilize DNA nanostructures in one, two, and three dimensions (1D, 2D, and 3D). Initially, these 2D and 3D DNA lattices and shapes attracted a broad scientific audience because they are fundamentally captivating and structurally elegant; however, transforming these conceptual architectural blueprints into functional materials is essential for further advancements in the DNA nanotechnology field. Herein, the chemical and biological sensing applications of a 1D DNA self-assembly process known as hybridization chain reaction (HCR) are reviewed. HCR is a one-dimensional (1D) double stranded (ds) DNA assembly process initiated only in the presence of a specific short ssDNA (initiator) and two kinetically trapped DNA hairpin structures. HCR is considered an enzyme-free isothermal amplification process, which shows substantial promise and offers a wide range of applications for in situ chemical and biological sensing. Due to its modular nature, HCR can be programmed to activate only in the presence of highly specific biological and/or chemical stimuli. HCR can also be combined with different types of molecular reporters and detection approaches for various analytical readouts. While the long dsDNA HCR product may not be as structurally attractive as the 2D and 3D DNA networks, HCR is highly instrumental for applied biological, chemical, and environmental sciences, and has therefore been studied to foster a variety of objectives. In this review, we have focused on nucleic acid, protein, metabolite, and heavy metal ion detection using this 1D DNA nanotechnology via fluorescence, electrochemical, and nanoparticle-based methodologies.

Application of kernel functions for accurate similarity search in large chemical databases.

PubMed

Wang, Xiaohong; Huan, Jun; Smalter, Aaron; Lushington, Gerald H

2010-04-29

Similarity search in chemical structure databases is an important problem with many applications in chemical genomics, drug design, and efficient chemical probe screening among others. It is widely believed that structure based methods provide an efficient way to do the query. Recently various graph kernel functions have been designed to capture the intrinsic similarity of graphs. Though successful in constructing accurate predictive and classification models, graph kernel functions can not be applied to large chemical compound database due to the high computational complexity and the difficulties in indexing similarity search for large databases. To bridge graph kernel function and similarity search in chemical databases, we applied a novel kernel-based similarity measurement, developed in our team, to measure similarity of graph represented chemicals. In our method, we utilize a hash table to support new graph kernel function definition, efficient storage and fast search. We have applied our method, named G-hash, to large chemical databases. Our results show that the G-hash method achieves state-of-the-art performance for k-nearest neighbor (k-NN) classification. Moreover, the similarity measurement and the index structure is scalable to large chemical databases with smaller indexing size, and faster query processing time as compared to state-of-the-art indexing methods such as Daylight fingerprints, C-tree and GraphGrep. Efficient similarity query processing method for large chemical databases is challenging since we need to balance running time efficiency and similarity search accuracy. Our previous similarity search method, G-hash, provides a new way to perform similarity search in chemical databases. Experimental study validates the utility of G-hash in chemical databases.

Biological and Chemical Security

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fitch, P J

2002-12-19

The LLNL Chemical & Biological National Security Program (CBNP) provides science, technology and integrated systems for chemical and biological security. Our approach is to develop and field advanced strategies that dramatically improve the nation's capabilities to prevent, prepare for, detect, and respond to terrorist use of chemical or biological weapons. Recent events show the importance of civilian defense against terrorism. The 1995 nerve gas attack in Tokyo's subway served to catalyze and focus the early LLNL program on civilian counter terrorism. In the same year, LLNL began CBNP using Laboratory-Directed R&D investments and a focus on biodetection. The Nunn-Lugar-Domenici Defensemore » Against Weapons of Mass Destruction Act, passed in 1996, initiated a number of U.S. nonproliferation and counter-terrorism programs including the DOE (now NNSA) Chemical and Biological Nonproliferation Program (also known as CBNP). In 2002, the Department of Homeland Security was formed. The NNSA CBNP and many of the LLNL CBNP activities are being transferred as the new Department becomes operational. LLNL has a long history in national security including nonproliferation of weapons of mass destruction. In biology, LLNL had a key role in starting and implementing the Human Genome Project and, more recently, the Microbial Genome Program. LLNL has over 1,000 scientists and engineers with relevant expertise in biology, chemistry, decontamination, instrumentation, microtechnologies, atmospheric modeling, and field experimentation. Over 150 LLNL scientists and engineers work full time on chemical and biological national security projects.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

This volume contains appendices for the following: Rocky Flats Plant and Idaho National Engineering Laboratory waste process information; TRUPACT-II content codes (TRUCON); TRUPACT-II chemical list; chemical compatibility analysis for Rocky Flats Plant waste forms; chemical compatibility analysis for waste forms across all sites; TRU mixed waste characterization database; hazardous constituents of Rocky Flats Transuranic waste; summary of waste components in TRU waste sampling program at INEL; TRU waste sampling program; and waste analysis data.

BLAKE - A Thermodynamics Code Based on TIGER: Users’ Guide to the Revised Program

DTIC Science & Technology

1998-07-01

thermodynamics program derived from an older version of TIGER.-*-2 Although it is applicable to a wide range of chemical equilibrium calculations...BLAKE is specifically intended for computing the properties of gun propellants at chamber conditions. Its principal difference from other chemical ...for Use with Electrothermal- Chemical (ETC) Systems," ARL-TR-488 (July 1994). The rationale for excluding charged species is presented here. 2

NASA Propulsion Investments for Exploration and Science

NASA Technical Reports Server (NTRS)

Smith, Bryan K.; Free, James M.; Klem, Mark D.; Priskos, Alex S.; Kynard, Michael H.

2008-01-01

The National Aeronautics and Space Administration (NASA) invests in chemical and electric propulsion systems to achieve future mission objectives for both human exploration and robotic science. Propulsion system requirements for human missions are derived from the exploration architecture being implemented in the Constellation Program. The Constellation Program first develops a system consisting of the Ares I launch vehicle and Orion spacecraft to access the Space Station, then builds on this initial system with the heavy-lift Ares V launch vehicle, Earth departure stage, and lunar module to enable missions to the lunar surface. A variety of chemical engines for all mission phases including primary propulsion, reaction control, abort, lunar ascent, and lunar descent are under development or are in early risk reduction to meet the specific requirements of the Ares I and V launch vehicles, Orion crew and service modules, and Altair lunar module. Exploration propulsion systems draw from Apollo, space shuttle, and commercial heritage and are applied across the Constellation architecture vehicles. Selection of these launch systems and engines is driven by numerous factors including development cost, existing infrastructure, operations cost, and reliability. Incorporation of green systems for sustained operations and extensibility into future systems is an additional consideration for system design. Science missions will directly benefit from the development of Constellation launch systems, and are making advancements in electric and chemical propulsion systems for challenging deep space, rendezvous, and sample return missions. Both Hall effect and ion electric propulsion systems are in development or qualification to address the range of NASA s Heliophysics, Planetary Science, and Astrophysics mission requirements. These address the spectrum of potential requirements from cost-capped missions to enabling challenging high delta-v, long-life missions. Additionally, a high specific impulse chemical engine is in development that will add additional capability to performance-demanding space science missions. In summary, the paper provides a survey of current NASA development and risk reduction propulsion investments for exploration and science.

Chemicals Reduce Need To Mow Grass

NASA Technical Reports Server (NTRS)

Humphrys, Brooks; Farley, Max; Gast, Larry J.

1993-01-01

Brief report discusses use of herbicides Roundup(R), Campaign(R), and Oust(R) to retard growth of Argentine bahia grass. Herbicide applied by use of spraying apparatus pulled by tractor. "Chemical mowing" keeps grass at "freshly mowed" height with less mechanical mowing. Applied to grass on shoulders of roads, reducing time spent on mowing.

40 CFR 63.5345 - How do I distinguish between the two upholstery product process operations?

Code of Federal Regulations, 2013 CFR

2013-07-01

... polyester film or equivalent material substrate. (c) Any appropriate engineering units may be used for... years if the applied finish chemical characteristics of the leather product have not changed, or when the applied finish chemical characteristics of the leather product change, whichever is sooner. [67 FR...

40 CFR 63.5345 - How do I distinguish between the two upholstery product process operations?

Code of Federal Regulations, 2011 CFR

2011-07-01

... polyester film or equivalent material substrate. (c) Any appropriate engineering units may be used for... years if the applied finish chemical characteristics of the leather product have not changed, or when the applied finish chemical characteristics of the leather product change, whichever is sooner. [67 FR...

40 CFR 63.5345 - How do I distinguish between the two upholstery product process operations?

Code of Federal Regulations, 2010 CFR

2010-07-01

... polyester film or equivalent material substrate. (c) Any appropriate engineering units may be used for... years if the applied finish chemical characteristics of the leather product have not changed, or when the applied finish chemical characteristics of the leather product change, whichever is sooner. [67 FR...

Pine Tolerance to Several New Herbicides

Treesearch

J.L. Michael

1983-01-01

Four new chemicals and Velpar L (R) were applied at several rates to loblolly pine (Pinus taeda L.) seedlings ranging in age from approximately 1 month to 3 years. Of the chemicals applied (Oust(R) to 3 years DPX-6376, and Velpar L from DuPont. Lontrel(R) from Dow; and EL-187 from...

TOXCAST: A PROGRAM FOR PRIORTITIZING TOXICITY TESTING OF ENVIRONMENTAL CHEMICALS

EPA Science Inventory

Evaluating the potential of tens of thousands of chemicals for risk to human health and the environment is beyond the resource limits of the Environmental Protection Agency. The EPA's ToxCast program will explore alternative methods comprising computational chemistry, high-throug...

Operate A Chemical Surety Program And Studies Supporting The Medical Chemical Defense Research Program

DTIC Science & Technology

2010-05-01

23 Task Execution Plan 34 – Temperature Testing of Pyridostigmine Bromide (PB) .......... 23 KEY RESEARCH ACCOMPLISHMENTS...29, 2010. Staff was assembled and materials have been ordered. Task Execution Plan (TEP) 0034 – Temperature Testing of Pyridostigmine Bromide

40 CFR 68.65 - Process safety information.

Code of Federal Regulations, 2012 CFR

2012-07-01

... (CONTINUED) CHEMICAL ACCIDENT PREVENTION PROVISIONS Program 3 Prevention Program § 68.65 Process safety... data; (4) Reactivity data: (5) Corrosivity data; (6) Thermal and chemical stability data; and (7...; (ii) Process chemistry; (iii) Maximum intended inventory; (iv) Safe upper and lower limits for such...

75 FR 15675 - Professional Research Experience Program in Chemical Science and Technology Laboratory...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-30

... in physics, chemistry, mathematics, computer science, or engineering. Institutions should have a 4..., mathematics, computer science, or engineering with work experiences in laboratories or other settings...-0141-01] Professional Research Experience Program in Chemical Science and Technology Laboratory...

Identification of Chemical Features Linked to Thyroperoxidase Inhibition (SOT)

EPA Science Inventory

Disruption of maternal serum thyroid hormone (TH) adversely affects fetal neurodevelopment. Therefore, assay development within the US EPA ToxCast program is ongoing to enable screening for chemicals that may disrupt TH, in support of the Endocrine Disruption Screening Program (E...

EPA’s Lead-based Paint Enforcement Helps Protect Children and Vulnerable Communities

EPA Pesticide Factsheets

The Toxic Substances Control Act (TSCA) New and Existing Chemicals (NEC) Program is exclusively a federal program that provides for review of the risk of chemicals prior to their manufacture and importation to prevent unreasonable risk to human health

75 FR 68370 - Agency Information Collection Activities: Office of Infrastructure Protection; Chemical Security...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-05

... DEPARTMENT OF HOMELAND SECURITY National Protection and Programs Directorate [Docket No. DHS-2010-0071] Agency Information Collection Activities: Office of Infrastructure Protection; Chemical Security...: The Department of Homeland Security (DHS), National Protection and Programs Directorate (NPPD), Office...

Biological Profiling of Endocrine Related Effects of Chemicals in ToxCast

EPA Science Inventory

The Food Quality Protection Act of 1996 mandates that EPA implement a validated screening program for detecting estrogenic chemicals, as well as other endocrine targets deemed appropriate by the Administrator. EPA’s Endocrine Disruptor Screening Program (EDSP) has been developing...

Biological Profiling of Endocrine Related Effects of Chemicals Using ToxCast

EPA Science Inventory

The Food Quality Protection Act of 1996 mandates that EPA implement a validated screening program for detecting estrogenic chemicals, as well as other endocrine targets deemed appropriate by the Administrator. EPA’s Endocrine Disruptor Screening Program (EDSP) has been developing...

Contribution of the Hair Follicular Pathway to Total Skin Permeation of Topically Applied and Exposed Chemicals.

PubMed

Mohd, Fadli; Todo, Hiroaki; Yoshimoto, Masato; Yusuf, Eddy; Sugibayashi, Kenji

2016-11-15

Generally, the blood and skin concentration profiles and steady-state skin concentration of topically applied or exposed chemicals can be calculated from the in vitro skin permeation profile. However, these calculation methods are particularly applicable to chemicals for which the main pathway is via the stratum corneum. If the contribution of hair follicles to the total skin permeation of chemicals can be obtained in detail, their blood and skin concentrations can be more precisely predicted. In the present study, the contribution of the hair follicle pathway to the skin permeation of topically applied or exposed chemicals was calculated from the difference between their permeability coefficients through skin with and without hair follicle plugging, using an in vitro skin permeation experiment. The obtained results reveal that the contribution of the hair follicle pathway can be predicted by using the chemicals' lipophilicity. For hydrophilic chemicals (logarithm of n -octanol/water partition coefficient (log K o/w ) < 0), a greater reduction of permeation due to hair follicle plugging was observed than for lipophilic chemicals (log K o/w ≥ 0). In addition, the ratio of this reduction was decreased with an increase in log K o/w . This consideration of the hair follicle pathway would be helpful to investigate the efficacy and safety of chemicals after topical application or exposure to them because skin permeation and disposition should vary among skins in different body sites due to differences in the density of hair follicles.

40 CFR 792.135 - Physical and chemical characterization studies.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 33 2012-07-01 2012-07-01 false Physical and chemical characterization... A Study § 792.135 Physical and chemical characterization studies. (a) All provisions of the GLPs shall apply to physical and chemical characterization studies designed to determine stability...

40 CFR 792.135 - Physical and chemical characterization studies.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 32 2014-07-01 2014-07-01 false Physical and chemical characterization... A Study § 792.135 Physical and chemical characterization studies. (a) All provisions of the GLPs shall apply to physical and chemical characterization studies designed to determine stability...

40 CFR 792.135 - Physical and chemical characterization studies.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 33 2013-07-01 2013-07-01 false Physical and chemical characterization... A Study § 792.135 Physical and chemical characterization studies. (a) All provisions of the GLPs shall apply to physical and chemical characterization studies designed to determine stability...

40 CFR 792.135 - Physical and chemical characterization studies.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 31 2010-07-01 2010-07-01 true Physical and chemical characterization... A Study § 792.135 Physical and chemical characterization studies. (a) All provisions of the GLPs shall apply to physical and chemical characterization studies designed to determine stability...

Development of wear resistant ceramic coatings for diesel engine components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haselkorn, M.H.

1992-04-01

Improved fuel economy and a reduction of emissions can be achieved by insulation of the combustion chamber components to reduce heat rejection. However, insulating the combustion chamber components will also increase the operating temperature of the piston ring/cylinder liner interface from approximately 150{degree}C to over 300{degree}C. Existing ring/liner materials can not withstand these higher operating temperatures and for this reason, new materials need to be developed for this critical tribological interface. The overall goal of this program is the development of piston ring/cylinder liner material pairs which would be able to provide the required friction and wear properties at thesemore » more severe operating conditions. More specifically, this program first selected, and then evaluated, potential d/wear resistant coatings which could be applied to either piston rings an or cylinder liners and provide, at 350{degree}C under lubricated conditions, coefficients of friction below 0.1 and wear rates of less than 25 {times} lO{sup {minus}6} mm/hour. The processes selected for applying the candidate wear resistant coatings to piston rings and/or cylinder liners were plasma spraying, chemical vapor, physical vapor and low temperature arc vapor deposition techniques as well as enameling techniques.« less

Development of wear resistant ceramic coatings for diesel engine components. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haselkorn, M.H.

1992-04-01

Improved fuel economy and a reduction of emissions can be achieved by insulation of the combustion chamber components to reduce heat rejection. However, insulating the combustion chamber components will also increase the operating temperature of the piston ring/cylinder liner interface from approximately 150{degree}C to over 300{degree}C. Existing ring/liner materials can not withstand these higher operating temperatures and for this reason, new materials need to be developed for this critical tribological interface. The overall goal of this program is the development of piston ring/cylinder liner material pairs which would be able to provide the required friction and wear properties at thesemore » more severe operating conditions. More specifically, this program first selected, and then evaluated, potential d/wear resistant coatings which could be applied to either piston rings an or cylinder liners and provide, at 350{degree}C under lubricated conditions, coefficients of friction below 0.1 and wear rates of less than 25 {times} lO{sup {minus}6} mm/hour. The processes selected for applying the candidate wear resistant coatings to piston rings and/or cylinder liners were plasma spraying, chemical vapor, physical vapor and low temperature arc vapor deposition techniques as well as enameling techniques.« less

Coupling Computer-Aided Process Simulation and ...

EPA Pesticide Factsheets

A methodology is described for developing a gate-to-gate life cycle inventory (LCI) of a chemical manufacturing process to support the application of life cycle assessment in the design and regulation of sustainable chemicals. The inventories were derived by first applying process design and simulation of develop a process flow diagram describing the energy and basic material flows of the system. Additional techniques developed by the U.S. Environmental Protection Agency for estimating uncontrolled emissions from chemical processing equipment were then applied to obtain a detailed emission profile for the process. Finally, land use for the process was estimated using a simple sizing model. The methodology was applied to a case study of acetic acid production based on the Cativa tm process. The results reveal improvements in the qualitative LCI for acetic acid production compared to commonly used databases and top-down methodologies. The modeling techniques improve the quantitative LCI results for inputs and uncontrolled emissions. With provisions for applying appropriate emission controls, the proposed method can provide an estimate of the LCI that can be used for subsequent life cycle assessments. As part of its mission, the Agency is tasked with overseeing the use of chemicals in commerce. This can include consideration of a chemical's potential impact on health and safety, resource conservation, clean air and climate change, clean water, and sustainable

78 FR 71624 - Submission for OMB Review; 30-Day Comment Request; Data Collection To Understand How NIH Programs...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-29

...: Data collection to understand how NIH programs apply methodologies to improve their research programs... research programs apply methodologies to improve their organizational effectiveness. The degree of an...; 30-Day Comment Request; Data Collection To Understand How NIH Programs Apply Methodologies To Improve...

Atomic Structure and Valence: Level II, Unit 10, Lesson 1; Chemical Bonding: Lesson 2; The Table of Elements: Lesson 3; Electrolysis: Lesson 4. Advanced General Education Program. A High School Self-Study Program.

ERIC Educational Resources Information Center

Manpower Administration (DOL), Washington, DC. Job Corps.

This self-study program for high-school level contains lessons on: Atomic Structure and Valence, Chemical Bonding, The Table of Elements, and Electrolysis. Each of the lessons concludes with a Mastery Test to be completed by the student. (DB)

Essential Principles for Reform of Chemicals Management Legislation

EPA Pesticide Factsheets

EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

Characterization and prediction of chemical functions and weight fractions in consumer products.

PubMed

Isaacs, Kristin K; Goldsmith, Michael-Rock; Egeghy, Peter; Phillips, Katherine; Brooks, Raina; Hong, Tao; Wambaugh, John F

2016-01-01

Assessing exposures from the thousands of chemicals in commerce requires quantitative information on the chemical constituents of consumer products. Unfortunately, gaps in available composition data prevent assessment of exposure to chemicals in many products. Here we propose filling these gaps via consideration of chemical functional role. We obtained function information for thousands of chemicals from public sources and used a clustering algorithm to assign chemicals into 35 harmonized function categories (e.g., plasticizers, antimicrobials, solvents). We combined these functions with weight fraction data for 4115 personal care products (PCPs) to characterize the composition of 66 different product categories (e.g., shampoos). We analyzed the combined weight fraction/function dataset using machine learning techniques to develop quantitative structure property relationship (QSPR) classifier models for 22 functions and for weight fraction, based on chemical-specific descriptors (including chemical properties). We applied these classifier models to a library of 10196 data-poor chemicals. Our predictions of chemical function and composition will inform exposure-based screening of chemicals in PCPs for combination with hazard data in risk-based evaluation frameworks. As new information becomes available, this approach can be applied to other classes of products and the chemicals they contain in order to provide essential consumer product data for use in exposure-based chemical prioritization.

A users manual for a revised version of the Langley charring ablator program

NASA Technical Reports Server (NTRS)

Stroud, C. W.; Brinkley, K. L.

1975-01-01

A computer program is described that will compute the transient response of a thermal protection material to a prescribed heat input at the surface. The program has the capability of analyzing pyrolysis gas chemical kinetics in detail and treating pyrolysis reactions-in-depth. Deposition of solid products produced by chemical reactions in the gas phase is included in the analysis. An outline is given for the theory. detailed operating instructions for the computer program are included.

The Department of Defense Chemical and Biological Defense Program: An Enabler of the Third Offset Strategy.

PubMed

Roos, Jason; Chue, Calvin; DiEuliis, Diane; Emanuel, Peter

The US Department of Defense (DOD) established programs to defend against chemical and biological weapons 100 years ago because military leaders understood that the operational capability of the US military is diminished when service member health is compromised. These threats to operational readiness can be from an overt attack using chemical and biological threats but may also arise from natural exposures. In the current era of rapidly emerging technologies, adversaries are not only rediscovering chemical and biological weapons; they are also displaying an increased propensity to employ them to cause strategic instability among deployed forces or nations undergoing conflict. The United States's investments in its Chemical and Biological Defense Program (CBDP) can be a critical enabler of the third offset strategy, which is a DOD initiative that seeks to maximize force capability to offset emerging threats. To realize this vision, the CBDP must make fundamental changes in acquiring and employing effective technologies so that enemy use of chemical and biological agents against US assets is no longer a viable option. Maximization of US force health status will provide a strategic advantage over theater opponents more vulnerable to operational degradation from chemical and biological threats.

Questions & Answers for the New Chemicals Program under the Toxic Substances Control Act (TSCA)

EPA Pesticide Factsheets

This Questions & Answers document for the New Chemicals Program is intended only to explain the requirements of TSCA section 5 and selected EPA regulations implementing section 5, and to provide useful information to persons subject to these requirements.

FY2016 Enforcement Actions for the Lead Renovation, Repair and Painting Rule (RRP)

EPA Pesticide Factsheets

The Toxic Substances Control Act (TSCA) New and Existing Chemicals (NEC) Program is exclusively a federal program that provides for review of the risk of chemicals prior to their manufacture and importation to prevent unreasonable risk to human health

Emerging Approaches and Opportunities to inform Internal Dosimetry and Inter-individual Variability

EPA Science Inventory

This talk provided an update to EPA ORD scientists and program officers about planned research within the Chemical Safety for Sustainability program to address chemical toxicokinetics and strategies to understand better the range of variability across different populations and li...

Chemical Manufacturing Sector (NAICS 325)

EPA Pesticide Factsheets

find EPA regulatory information for the chemical manufacturing sector, including NESHAPs, the SNAP program for ozone depleting substances,effluent guidelines, and new and existing chemicals testing requirements under TSCA.

Protein Structural Information Derived from NMR Chemical Shift with the Neural Network Program TALOS-N

PubMed Central

Shen, Yang; Bax, Ad

2015-01-01

Summary Chemical shifts are obtained at the first stage of any protein structural study by NMR spectroscopy. Chemical shifts are known to be impacted by a wide range of structural factors and the artificial neural network based TALOS-N program has been trained to extract backbone and sidechain torsion angles from 1H, 15N and 13C shifts. The program is quite robust, and typically yields backbone torsion angles for more than 90% of the residues, and sidechain χ1 rotamer information for about half of these, in addition to reliably predicting secondary structure. The use of TALOS-N is illustrated for the protein DinI, and torsion angles obtained by TALOS-N analysis from the measured chemical shifts of its backbone and 13Cβ nuclei are compared to those seen in a prior, experimentally determined structure. The program is also particularly useful for generating torsion angle restraints, which then can be used during standard NMR protein structure calculations. PMID:25502373

46 CFR 153.933 - Chemical protective clothing.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 5 2011-10-01 2011-10-01 false Chemical protective clothing. 153.933 Section 153.933... § 153.933 Chemical protective clothing. When table 1 refers to this section, the following apply: (a) The master shall ensure that the following chemical protective clothing constructed of materials...

46 CFR 153.933 - Chemical protective clothing.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 5 2010-10-01 2010-10-01 false Chemical protective clothing. 153.933 Section 153.933... § 153.933 Chemical protective clothing. When table 1 refers to this section, the following apply: (a) The master shall ensure that the following chemical protective clothing constructed of materials...

46 CFR 153.933 - Chemical protective clothing.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 5 2014-10-01 2014-10-01 false Chemical protective clothing. 153.933 Section 153.933... § 153.933 Chemical protective clothing. When table 1 refers to this section, the following apply: (a) The master shall ensure that the following chemical protective clothing constructed of materials...

46 CFR 153.933 - Chemical protective clothing.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 5 2013-10-01 2013-10-01 false Chemical protective clothing. 153.933 Section 153.933... § 153.933 Chemical protective clothing. When table 1 refers to this section, the following apply: (a) The master shall ensure that the following chemical protective clothing constructed of materials...

46 CFR 153.933 - Chemical protective clothing.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 5 2012-10-01 2012-10-01 false Chemical protective clothing. 153.933 Section 153.933... § 153.933 Chemical protective clothing. When table 1 refers to this section, the following apply: (a) The master shall ensure that the following chemical protective clothing constructed of materials...

Stratospheric CCN sampling program

NASA Technical Reports Server (NTRS)

Rogers, C. F.

1981-01-01

When Mt. St. Helens produced several major eruptions in the late spring of 1980, there was a strong interest in the characterization of the cloud condensation nuclei (CCN) activity of the material that was injected into the troposphere and stratosphere. The scientific value of CCN measurements is two fold: CCN counts may be directly applied to calculations of the interaction of the aerosol (enlargement) at atmospherically-realistic relative humidities or supersaturations; and if the chemical constituency of the aerosol can be assumed, the number-versus-critical supersaturation spectrum may be converted into a dry aerosol size spectrum covering a size region not readily measured by other methods. The sampling method is described along with the instrumentation used in the experiments.

Regulatory Determinations made under Section 5 of the Toxic Substances Control Act (TSCA)

EPA Pesticide Factsheets

In the New Chemicals program, EPA reviews and determines if a chemical contains unreasonable risk both in the context of individual chemical substances and in considering whether to exempt categories of chemical substances.

ACToR Chemical Structure processing using Open Source ...

EPA Pesticide Factsheets

ACToR (Aggregated Computational Toxicology Resource) is a centralized database repository developed by the National Center for Computational Toxicology (NCCT) at the U.S. Environmental Protection Agency (EPA). Free and open source tools were used to compile toxicity data from over 1,950 public sources. ACToR contains chemical structure information and toxicological data for over 558,000 unique chemicals. The database primarily includes data from NCCT research programs, in vivo toxicity data from ToxRef, human exposure data from ExpoCast, high-throughput screening data from ToxCast and high quality chemical structure information from the EPA DSSTox program. The DSSTox database is a chemical structure inventory for the NCCT programs and currently has about 16,000 unique structures. Included are also data from PubChem, ChemSpider, USDA, FDA, NIH and several other public data sources. ACToR has been a resource to various international and national research groups. Most of our recent efforts on ACToR are focused on improving the structural identifiers and Physico-Chemical properties of the chemicals in the database. Organizing this huge collection of data and improving the chemical structure quality of the database has posed some major challenges. Workflows have been developed to process structures, calculate chemical properties and identify relationships between CAS numbers. The Structure processing workflow integrates web services (PubChem and NIH NCI Cactus) to d

34 CFR 477.4 - What regulations apply?

Code of Federal Regulations, 2011 CFR

2011-07-01

..., DEPARTMENT OF EDUCATION STATE PROGRAM ANALYSIS ASSISTANCE AND POLICY STUDIES PROGRAM General § 477.4 What regulations apply? The following regulations apply to the State Program Analysis Assistance and Policy Studies...

34 CFR 477.4 - What regulations apply?

Code of Federal Regulations, 2010 CFR

2010-07-01

..., DEPARTMENT OF EDUCATION STATE PROGRAM ANALYSIS ASSISTANCE AND POLICY STUDIES PROGRAM General § 477.4 What regulations apply? The following regulations apply to the State Program Analysis Assistance and Policy Studies...

42 CFR 62.3 - Who is eligible to apply for a scholarship program award?

Code of Federal Regulations, 2013 CFR

2013-10-01

... 42 Public Health 1 2013-10-01 2013-10-01 false Who is eligible to apply for a scholarship program... FELLOWSHIPS, INTERNSHIPS, TRAINING NATIONAL HEALTH SERVICE CORPS SCHOLARSHIP AND LOAN REPAYMENT PROGRAMS National Health Service Corps Scholarship Program § 62.3 Who is eligible to apply for a scholarship program...

42 CFR 62.3 - Who is eligible to apply for a scholarship program award?

Code of Federal Regulations, 2012 CFR

2012-10-01

... 42 Public Health 1 2012-10-01 2012-10-01 false Who is eligible to apply for a scholarship program... FELLOWSHIPS, INTERNSHIPS, TRAINING NATIONAL HEALTH SERVICE CORPS SCHOLARSHIP AND LOAN REPAYMENT PROGRAMS National Health Service Corps Scholarship Program § 62.3 Who is eligible to apply for a scholarship program...

42 CFR 62.3 - Who is eligible to apply for a scholarship program award?

Code of Federal Regulations, 2014 CFR

2014-10-01

... 42 Public Health 1 2014-10-01 2014-10-01 false Who is eligible to apply for a scholarship program... FELLOWSHIPS, INTERNSHIPS, TRAINING NATIONAL HEALTH SERVICE CORPS SCHOLARSHIP AND LOAN REPAYMENT PROGRAMS National Health Service Corps Scholarship Program § 62.3 Who is eligible to apply for a scholarship program...

42 CFR 62.3 - Who is eligible to apply for a scholarship program award?

Code of Federal Regulations, 2011 CFR

2011-10-01

... 42 Public Health 1 2011-10-01 2011-10-01 false Who is eligible to apply for a scholarship program... FELLOWSHIPS, INTERNSHIPS, TRAINING NATIONAL HEALTH SERVICE CORPS SCHOLARSHIP AND LOAN REPAYMENT PROGRAMS National Health Service Corps Scholarship Program § 62.3 Who is eligible to apply for a scholarship program...

Outline of Meeting Sessions and Workshops: 15th Biennial Conference on Chemical Education

NASA Astrophysics Data System (ADS)

Wilson, Anna M.

1998-06-01

The 15th Biennial Conference on Chemical Education (15-BCCE), sponsored by the ACS Division of Chemical Education, will be held at the University of Waterloo, Waterloo, Ontario, Canada, August 9-13, 1998. Reg Friesen is the General Chair and Anna Wilson is the Program Chair. The technical program includes more than 600 oral and poster presentations, 70 workshops, and 12 special lectures on modern perspectives in chemistry. Plenary lectures will be given by Bonnie Bracey, Katherine Coleman, David Dolphin, Ernest Eliel, Arthur Ellis, Steve Spangler and Mary Anne White. The complete program, including abstracts, is available at http://www.biochem.purdue.edu/~bcce.

Safety management and risk assessment in chemical laboratories.

PubMed

Marendaz, Jean-Luc; Friedrich, Kirstin; Meyer, Thierry

2011-01-01

The present paper highlights a new safety management program, MICE (Management, Information, Control and Emergency), which has been specifically adapted for the academic environment. The process starts with an exhaustive hazard inventory supported by a platform assembling specific hazards encountered in laboratories and their subsequent classification. A proof of concept is given by a series of implementations in the domain of chemistry targeting workplace health protection. The methodology is expressed through three examples to illustrate how the MICE program can be used to address safety concerns regarding chemicals, strong magnetic fields and nanoparticles in research laboratories. A comprehensive chemical management program is also depicted.

The Human Volunteer in Military Biomedical Research (Military Medical Ethics. Volume 2, Chapter 19)

DTIC Science & Technology

2002-10-01

was not de- classified until 1975. It applied only to human re- search in the fields of atomic, biological , and/or chemical warfare.11 In 1954 the Army...memo- randum applied to all human research, not only atomic, biological , or chemical testing.11 Even though this memorandum applied only to the Army...first peacetime nuclear weapons tests in the Bikini Atoll, until 1963, when atmospheric test- ing was halted by the Limited Test Ban Treaty, nu

Characterization and Prediction of Chemical Functions and ...

EPA Pesticide Factsheets

Assessing exposures from the thousands of chemicals in commerce requires quantitative information on the chemical constituents of consumer products. Unfortunately, gaps in available composition data prevent assessment of exposure to chemicals in many products. Here we propose filling these gaps via consideration of chemical functional role. We obtained function information for thousands of chemicals from public sources and used a clustering algorithm to assign chemicals into 35 harmonized function categories (e.g., plasticizers, antimicrobials, solvents). We combined these functions with weight fraction data for 4115 personal care products (PCPs) to characterize the composition of 66 different product categories (e.g., shampoos). We analyzed the combined weight fraction/function dataset using machine learning techniques to develop quantitative structure property relationship (QSPR) classifier models for 22 functions and for weight fraction, based on chemical-specific descriptors (including chemical properties). We applied these classifier models to a library of 10196 data-poor chemicals. Our predictions of chemical function and composition will inform exposure-based screening of chemicals in PCPs for combination with hazard data in risk-based evaluation frameworks. As new information becomes available, this approach can be applied to other classes of products and the chemicals they contain in order to provide essential consumer product data for use in exposure-b

Chemical-Gene Interactions from ToxCast Bioactivity Data Expands Universe of Literature Network-Based Associations (SOT)

EPA Science Inventory

Characterizing the effects of chemicals in biological systems is often summarized by chemical-gene interactions, which have sparse coverage in the literature. The ToxCast chemical screening program has produced bioactivity data for nearly 2000 chemicals and over 450 gene targets....

75 FR 26049 - Regulation of Fuels and Fuel Additives: Modifications to Renewable Fuel Standard Program

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-10

... conducted by ``a licensed professional engineer or foreign equivalent who works in the chemical engineering... chemical engineering field. EPA views renewable fuel production to fall generally within the chemical... basic organic chemical manufacturers. Industry 424690 5169 Chemical and allied products merchant...

In vitro perturbations of targets in cancer hallmark processes predict rodent chemical carcinogenesis.

PubMed

Kleinstreuer, Nicole C; Dix, David J; Houck, Keith A; Kavlock, Robert J; Knudsen, Thomas B; Martin, Matthew T; Paul, Katie B; Reif, David M; Crofton, Kevin M; Hamilton, Kerry; Hunter, Ronald; Shah, Imran; Judson, Richard S

2013-01-01

Thousands of untested chemicals in the environment require efficient characterization of carcinogenic potential in humans. A proposed solution is rapid testing of chemicals using in vitro high-throughput screening (HTS) assays for targets in pathways linked to disease processes to build models for priority setting and further testing. We describe a model for predicting rodent carcinogenicity based on HTS data from 292 chemicals tested in 672 assays mapping to 455 genes. All data come from the EPA ToxCast project. The model was trained on a subset of 232 chemicals with in vivo rodent carcinogenicity data in the Toxicity Reference Database (ToxRefDB). Individual HTS assays strongly associated with rodent cancers in ToxRefDB were linked to genes, pathways, and hallmark processes documented to be involved in tumor biology and cancer progression. Rodent liver cancer endpoints were linked to well-documented pathways such as peroxisome proliferator-activated receptor signaling and TP53 and novel targets such as PDE5A and PLAUR. Cancer hallmark genes associated with rodent thyroid tumors were found to be linked to human thyroid tumors and autoimmune thyroid disease. A model was developed in which these genes/pathways function as hypothetical enhancers or promoters of rat thyroid tumors, acting secondary to the key initiating event of thyroid hormone disruption. A simple scoring function was generated to identify chemicals with significant in vitro evidence that was predictive of in vivo carcinogenicity in different rat tissues and organs. This scoring function was applied to an external test set of 33 compounds with carcinogenicity classifications from the EPA's Office of Pesticide Programs and successfully (p = 0.024) differentiated between chemicals classified as "possible"/"probable"/"likely" carcinogens and those designated as "not likely" or with "evidence of noncarcinogenicity." This model represents a chemical carcinogenicity prioritization tool supporting targeted testing and functional validation of cancer pathways.

Treatment Outcomes in an Adolescent Chemical Dependency Program.

ERIC Educational Resources Information Center

Ralph, Norbert; McMenamy, Carol

1996-01-01

Investigates treatment outcomes for all admissions to an adolescent chemical dependency program over a 10-month period. Interviews with parents of patients were conducted. The effect of various pretreatment and treatment factors on outcomes were investigated. Better treatment outcome was associated with older adolescents, greater participation in…

Illinois Occupational Skill Standards: Chemical Process Technical Operators.

ERIC Educational Resources Information Center

Illinois Occupational Skill Standards and Credentialing Council, Carbondale.

This document, which is intended for workforce preparation program providers, details the Illinois Occupational Skill Standards for programs preparing students for employment as chemical process technical operators. The document begins with a brief overview of the Illinois perspective on occupational skill standards and credentialing, the process…

75 FR 77869 - Endocrine Disruptor Screening Program; Second List of Chemicals for Tier 1 Screening; Extension...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-14

... ENVIRONMENTAL PROTECTION AGENCY [EPA-HQ-OPPT-2009-0477; FRL-8856-5] Endocrine Disruptor Screening... Federal Register issue of November 17, 2010, concerning the Endocrine Disruptor Screening Program's (EDSP... CONTACT. List of Subjects Environmental protection, Chemicals, Drinking water, Endocrine disruptors...

The Navy/NASA Engine Program (NNEP89): Interfacing the program for the calculation of complex Chemical Equilibrium Compositions (CEC)

NASA Technical Reports Server (NTRS)

Gordon, Sanford

1991-01-01

The NNEP is a general computer program for calculating aircraft engine performance. NNEP has been used extensively to calculate the design and off-design (matched) performance of a broad range of turbine engines, ranging from subsonic turboprops to variable cycle engines for supersonic transports. Recently, however, there has been increased interest in applications for which NNEP is not capable of simulating, such as the use of alternate fuels including cryogenic fuels and the inclusion of chemical dissociation effects at high temperatures. To overcome these limitations, NNEP was extended by including a general chemical equilibrium method. This permits consideration of any propellant system and the calculation of performance with dissociation effects. The new extended program is referred to as NNEP89.

Tox21 Enricher: Web-based Chemical/Biological Functional Annotation Analysis Tool Based on Tox21 Toxicity Screening Platform.

PubMed

Hur, Junguk; Danes, Larson; Hsieh, Jui-Hua; McGregor, Brett; Krout, Dakota; Auerbach, Scott

2018-05-01

The US Toxicology Testing in the 21st Century (Tox21) program was established to develop more efficient and human-relevant toxicity assessment methods. The Tox21 program screens >10,000 chemicals using quantitative high-throughput screening (qHTS) of assays that measure effects on toxicity pathways. To date, more than 70 assays have yielded >12 million concentration-response curves. The patterns of activity across assays can be used to define similarity between chemicals. Assuming chemicals with similar activity profiles have similar toxicological properties, we may infer toxicological properties based on its neighbourhood. One approach to inference is chemical/biological annotation enrichment analysis. Here, we present Tox21 Enricher, a web-based chemical annotation enrichment tool for the Tox21 toxicity screening platform. Tox21 Enricher identifies over-represented chemical/biological annotations among lists of chemicals (neighbourhoods), facilitating the identification of the toxicological properties and mechanisms in the chemical set. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

29 CFR 1910.161 - Fixed extinguishing systems, dry chemical.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 29 Labor 5 2011-07-01 2011-07-01 false Fixed extinguishing systems, dry chemical. 1910.161 Section... § 1910.161 Fixed extinguishing systems, dry chemical. (a) Scope and application. This section applies to all fixed extinguishing systems, using dry chemical as the extinguishing agent, installed to meet a...

29 CFR 1910.161 - Fixed extinguishing systems, dry chemical.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 29 Labor 5 2010-07-01 2010-07-01 false Fixed extinguishing systems, dry chemical. 1910.161 Section... § 1910.161 Fixed extinguishing systems, dry chemical. (a) Scope and application. This section applies to all fixed extinguishing systems, using dry chemical as the extinguishing agent, installed to meet a...

29 CFR 1910.161 - Fixed extinguishing systems, dry chemical.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 29 Labor 5 2013-07-01 2013-07-01 false Fixed extinguishing systems, dry chemical. 1910.161 Section... § 1910.161 Fixed extinguishing systems, dry chemical. (a) Scope and application. This section applies to all fixed extinguishing systems, using dry chemical as the extinguishing agent, installed to meet a...

29 CFR 1910.161 - Fixed extinguishing systems, dry chemical.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 29 Labor 5 2014-07-01 2014-07-01 false Fixed extinguishing systems, dry chemical. 1910.161 Section... § 1910.161 Fixed extinguishing systems, dry chemical. (a) Scope and application. This section applies to all fixed extinguishing systems, using dry chemical as the extinguishing agent, installed to meet a...

29 CFR 1910.161 - Fixed extinguishing systems, dry chemical.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 29 Labor 5 2012-07-01 2012-07-01 false Fixed extinguishing systems, dry chemical. 1910.161 Section... § 1910.161 Fixed extinguishing systems, dry chemical. (a) Scope and application. This section applies to all fixed extinguishing systems, using dry chemical as the extinguishing agent, installed to meet a...

40 CFR 761.75 - Chemical waste landfills.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Chemical waste landfills. 761.75... PROHIBITIONS Storage and Disposal § 761.75 Chemical waste landfills. This section applies to facilities used to dispose of PCBs in accordance with the part. (a) General. A chemical waste landfill used for the disposal...

40 CFR 761.75 - Chemical waste landfills.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Chemical waste landfills. 761.75... PROHIBITIONS Storage and Disposal § 761.75 Chemical waste landfills. This section applies to facilities used to dispose of PCBs in accordance with the part. (a) General. A chemical waste landfill used for the disposal...

40 CFR 761.75 - Chemical waste landfills.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Chemical waste landfills. 761.75... PROHIBITIONS Storage and Disposal § 761.75 Chemical waste landfills. This section applies to facilities used to dispose of PCBs in accordance with the part. (a) General. A chemical waste landfill used for the disposal...

40 CFR 720.36 - Exemption for research and development.

Code of Federal Regulations, 2014 CFR

2014-07-01

... development. (a) This part does not apply to a chemical substance if the following conditions are met: (1) The chemical substance is manufactured or imported only in small quantities solely for research and development... distributes the chemical substance, who are engaged in experimentation, research, or analysis on the chemical...

40 CFR 720.36 - Exemption for research and development.

Code of Federal Regulations, 2013 CFR

2013-07-01

... development. (a) This part does not apply to a chemical substance if the following conditions are met: (1) The chemical substance is manufactured or imported only in small quantities solely for research and development... distributes the chemical substance, who are engaged in experimentation, research, or analysis on the chemical...

40 CFR 720.36 - Exemption for research and development.

Code of Federal Regulations, 2012 CFR

2012-07-01

... development. (a) This part does not apply to a chemical substance if the following conditions are met: (1) The chemical substance is manufactured or imported only in small quantities solely for research and development... distributes the chemical substance, who are engaged in experimentation, research, or analysis on the chemical...

40 CFR 720.36 - Exemption for research and development.

Code of Federal Regulations, 2011 CFR

2011-07-01

... development. (a) This part does not apply to a chemical substance if the following conditions are met: (1) The chemical substance is manufactured or imported only in small quantities solely for research and development... distributes the chemical substance, who are engaged in experimentation, research, or analysis on the chemical...

[Effects of long-term applying sulfur- and chloride-containing chemical fertilizers on weed growth in paddy field].

PubMed

Shen, Pu; Gao, Ju-sheng; Xu, Ming-gang; Li, Dong-chu; Niu, De-kui; Qin, Dao-zhu

2011-04-01

An investigation was made at a double-rice paddy field in the Qiyang Red Soil Field Experimental Station, Hunan Province, China to study the species and biomass of weeds growing in rice (Oryza sativa L.) growth season after 34-year application of sulfur (SO4(2-)) and chloride (Cl(-))-containing chemical fertilizers under the same application rates of nitrogen (N), phosphorus (P), and potassium (K). Long-term application of Cl(-)-containing chemical fertilizer resulted in the greatest species number of weeds and the highest biomass of floating weeds and wet weeds, compared with long-term application of SO4(2-) and Cl(-) +SO4(2-)-containing chemical fertilizers. In early rice growth season, the biomass of weeds after applying Cl(-)-containing chemical fertilizer was 51.4% and 17.6% higher than that after applying Cl(-) + SO4(2-) and SO4(2-)-containing chemical fertilizers, respectively; in late rice growth season, the increment was 144% and 242%, respectively. More floating weeds were observed after applying Cl(-) + SO4(2-) and SO4(2-)-containing chemical fertilizers, but few of them were found after applying Cl(-)-containing chemical fertilizer. The total dry mass of weeds and the dry mass of wet weeds were positively correlated with soil Cl(-) content (r = 0.764, P < 0.01 and r = 0.948, P < 0.01, respectively), but negatively correlated with soil SO4(2-)-S content (r = 0.849, P < 0.01 and r = 0.641, P < 0.05). Soil alkali-hydrolyzable N and available P, under the co-effects of soil SO4(2-)-S, Cl(-), and pH, had indirect effects on the total dry mass of weeds. By adopting various fertilization measures to maintain proper soil pH and alkali-hydrolyzable N and available P contents, increase soil SO42(-)-S content, and decrease soil Cl(-) content, it could be possible to effectively inhibit the growth of wet weeds and to decrease the total biomass of weeds in double-rice paddy field.

Persistent, Bioaccumulative, and Toxic (PBT) Chemicals under TSCA Section 6(h)

EPA Pesticide Factsheets

EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

Synthetic Biology for Specialty Chemicals.

PubMed

Markham, Kelly A; Alper, Hal S

2015-01-01

In this review, we address recent advances in the field of synthetic biology and describe how those tools have been applied to produce a wide variety of chemicals in microorganisms. Here we classify the expansion of the synthetic biology toolbox into three different categories based on their primary function in strain engineering-for design, for construction, and for optimization. Next, focusing on recent years, we look at how chemicals have been produced using these new synthetic biology tools. Advances in producing fuels are briefly described, followed by a more thorough treatment of commodity chemicals, specialty chemicals, pharmaceuticals, and nutraceuticals. Throughout this review, an emphasis is placed on how synthetic biology tools are applied to strain engineering. Finally, we discuss organism and host strain diversity and provide a future outlook in the field.

Comparing Alternatives For Replacing Harmful Chemicals

NASA Technical Reports Server (NTRS)

Cruit, W.; Schutzenhofer, S.; Goldberg, B.; Everhart, K.

1995-01-01

Methodology developed to provide guidance for replacement of industrial chemicals that must be phased out by law because they are toxic and/or affect environment adversely. Chemicals and processes ranked numerically. Applies mostly to chemicals contributing to depletion of ozone in upper atmosphere; some other harmful chemicals included. Quality function deployment matrix format provides convenient way to compare alternative processes and chemicals. Overall rating at bottom of each process-and-chemical column indicates relative advantage.

Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division: July--September 1997

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jubin, R.T.

This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period July--September 1997. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within nine major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Molten Salt Reactor Experiment (MSRE) Remediation Studies, Chemistry Research, Biotechnology, Separations and Materials Synthesis, Fluid Structure and Properties, Biotechnologymore » Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information.« less

Chemical application strategies to protect water quality.

PubMed

Rice, Pamela J; Horgan, Brian P; Barber, Brian L; Koskinen, William C

2018-07-30

Management of turfgrass on golf courses and athletic fields often involves application of plant protection products to maintain or enhance turfgrass health and performance. However, the transport of fertilizer and pesticides with runoff to adjacent surface waters can enhance algal blooms, promote eutrophication and may have negative impacts on sensitive aquatic organisms and ecosystems. Thus, we evaluated the effectiveness of chemical application setbacks to reduce the off-site transport of chemicals with storm runoff. Experiments with water soluble tracer compounds confirmed an increase in application setback distance resulted in a significant increase in the volume of runoff measured before first off-site chemical detection, as well as a significant reduction in the total percentage of applied chemical transported with the storm runoff. For example, implementation of a 6.1 m application setback reduced the total percentage of an applied water soluble tracer by 43%, from 18.5% of applied to 10.5% of applied. Evaluation of chemographs revealed the efficacy of application setbacks could be observed with storms resulting in lesser (e.g. 100 L) and greater (e.g. > 300 L) quantities of runoff. Application setbacks offer turfgrass managers a mitigation approach that requires no additional resources or time inputs and may serve as an alternative practice when buffers are less appropriate for land management objectives or site conditions. Characterizing potential contamination of surface waters and developing strategies to safeguard water quality will help protect the environment and improve water resource security. This information is useful to grounds superintendents for designing chemical application strategies to maximize environmental stewardship. The data will also be useful to scientists and regulators working with chemical transport and risk models. Copyright © 2018. Published by Elsevier Inc.

45 CFR 287.15 - Which Tribes are eligible to apply for NEW Program grants?

Code of Federal Regulations, 2012 CFR

2012-10-01

... 45 Public Welfare 2 2012-10-01 2012-10-01 false Which Tribes are eligible to apply for NEW Program... SERVICES THE NATIVE EMPLOYMENT WORKS (NEW) PROGRAM Eligible Tribes § 287.15 Which Tribes are eligible to apply for NEW Program grants? To be considered for a NEW Program grant, a Tribe must be an “eligible...

45 CFR 287.15 - Which Tribes are eligible to apply for NEW Program grants?

Code of Federal Regulations, 2014 CFR

2014-10-01

... 45 Public Welfare 2 2014-10-01 2012-10-01 true Which Tribes are eligible to apply for NEW Program... SERVICES THE NATIVE EMPLOYMENT WORKS (NEW) PROGRAM Eligible Tribes § 287.15 Which Tribes are eligible to apply for NEW Program grants? To be considered for a NEW Program grant, a Tribe must be an “eligible...

45 CFR 287.15 - Which Tribes are eligible to apply for NEW Program grants?

Code of Federal Regulations, 2013 CFR

2013-10-01

... 45 Public Welfare 2 2013-10-01 2012-10-01 true Which Tribes are eligible to apply for NEW Program... SERVICES THE NATIVE EMPLOYMENT WORKS (NEW) PROGRAM Eligible Tribes § 287.15 Which Tribes are eligible to apply for NEW Program grants? To be considered for a NEW Program grant, a Tribe must be an “eligible...

Contribution of the Hair Follicular Pathway to Total Skin Permeation of Topically Applied and Exposed Chemicals

PubMed Central

Mohd, Fadli; Todo, Hiroaki; Yoshimoto, Masato; Yusuf, Eddy; Sugibayashi, Kenji

2016-01-01

Generally, the blood and skin concentration profiles and steady-state skin concentration of topically applied or exposed chemicals can be calculated from the in vitro skin permeation profile. However, these calculation methods are particularly applicable to chemicals for which the main pathway is via the stratum corneum. If the contribution of hair follicles to the total skin permeation of chemicals can be obtained in detail, their blood and skin concentrations can be more precisely predicted. In the present study, the contribution of the hair follicle pathway to the skin permeation of topically applied or exposed chemicals was calculated from the difference between their permeability coefficients through skin with and without hair follicle plugging, using an in vitro skin permeation experiment. The obtained results reveal that the contribution of the hair follicle pathway can be predicted by using the chemicals’ lipophilicity. For hydrophilic chemicals (logarithm of n-octanol/water partition coefficient (log Ko/w) < 0), a greater reduction of permeation due to hair follicle plugging was observed than for lipophilic chemicals (log Ko/w ≥ 0). In addition, the ratio of this reduction was decreased with an increase in log Ko/w. This consideration of the hair follicle pathway would be helpful to investigate the efficacy and safety of chemicals after topical application or exposure to them because skin permeation and disposition should vary among skins in different body sites due to differences in the density of hair follicles. PMID:27854289

SITE PROGRAM DEMONSTRATION ECO LOGIC INTERNATIONAL GAS-PHASE CHEMICAL REDUCTION PROCESS, BAY CITY, MICHIGAN TECHNOLOGY EVALUATION REPORT

EPA Science Inventory

The SITE Program funded a field demonstration to evaluate the Eco Logic Gas-Phase Chemical Reduction Process developed by ELI Eco Logic International Inc. (ELI), Ontario, Canada. The Demonstration took place at the Middleground Landfill in Bay City, Michigan using landfill wa...

BALANCER: A Computer Program for Balancing Chemical Equations.

ERIC Educational Resources Information Center

Jones, R. David; Schwab, A. Paul

1989-01-01

Describes the theory and operation of a computer program which was written to balance chemical equations. Software consists of a compiled file of 46K for use under MS-DOS 2.0 or later on IBM PC or compatible computers. Additional specifications of courseware and availability information are included. (Author/RT)

The Safety "Use Case": Co-Developing Chemical Information Management and Laboratory Safety Skills

ERIC Educational Resources Information Center

Stuart, Ralph B.; McEwen, Leah R.

2016-01-01

The 2015 edition of the American Chemical Society's "Guidelines and Evaluation Procedures for Bachelor's Degree Programs" identifies six skill sets that undergraduate chemistry programs should instill in their students. In our roles as support staff for chemistry departments at two different institutions (one a Primarily Undergraduate…

Assessment of a Library Science Program Specializing in Chemical Information.

ERIC Educational Resources Information Center

Wiggins, Gary; Monnier, Cynthia

1994-01-01

Reports on a survey of Indiana University Master in Library Science (M.L.S.)-Chemical Information Specialist program graduates. Information includes graduates' educational background; the nature of first jobs and current positions held; and databases most frequently used. Graduates generally favored more training in computer skills, patent…

The U.S. EPA's ToxCast Chemical Screening Program and Predictive Modeling of Toxicity

EPA Science Inventory

The ToxCast program was developed by the U.S. EPA's National Center for Computational Toxicology to provide cost-effective high-throughput screening for the potential toxicity of thousands of chemicals. Phase I screened 309 compounds in over 500 assays to evaluate concentration-...

77 FR 65682 - Agency Information Collection Activities; Submission to OMB for Review and Approval; Comment...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-30

... Under the Endocrine Disruptor Screening Program (EDSP) (Renewal) AGENCY: Environmental Protection Agency....regulations.gov . Title: Tier 1 Screening of Certain Chemicals Under the Endocrine Disruptor Screening Program... of a two-tiered approach to screen chemicals for potential endocrine disrupting effects. The purpose...

Computer program determines chemical composition of physical system at equilibrium

NASA Technical Reports Server (NTRS)

Kwong, S. S.

1966-01-01

FORTRAN 4 digital computer program calculates equilibrium composition of complex, multiphase chemical systems. This is a free energy minimization method with solution of the problem reduced to mathematical operations, without concern for the chemistry involved. Also certain thermodynamic properties are determined as byproducts of the main calculations.

Issue-Oriented Science Using CEPUP.

ERIC Educational Resources Information Center

California Univ., Berkeley. Lawrence Hall of Science.

CEPUP in the Schools is a project of the Chemical Education for Public Understanding Program (CEPUP) at the Lawrence Hall of Science, University of California-Berkeley. CEPUP is a diverse educational program highlighting chemicals and their uses in the context of societal issues, so that learners experience the reality of science. This booklet…

46 CFR 16.230 - Random testing requirements.

Code of Federal Regulations, 2013 CFR

2013-10-01

... programs for the chemical testing for dangerous drugs on a random basis of crewmembers on inspected vessels... establish programs for the chemical testing for dangerous drugs on a random basis of crewmembers on... random drug testing shall be made by a scientifically valid method, such as a random number table or a...

46 CFR 16.230 - Random testing requirements.

Code of Federal Regulations, 2012 CFR

2012-10-01

... programs for the chemical testing for dangerous drugs on a random basis of crewmembers on inspected vessels... establish programs for the chemical testing for dangerous drugs on a random basis of crewmembers on... random drug testing shall be made by a scientifically valid method, such as a random number table or a...

46 CFR 16.230 - Random testing requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... programs for the chemical testing for dangerous drugs on a random basis of crewmembers on inspected vessels... establish programs for the chemical testing for dangerous drugs on a random basis of crewmembers on... random drug testing shall be made by a scientifically valid method, such as a random number table or a...

46 CFR 16.230 - Random testing requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... programs for the chemical testing for dangerous drugs on a random basis of crewmembers on inspected vessels... establish programs for the chemical testing for dangerous drugs on a random basis of crewmembers on... random drug testing shall be made by a scientifically valid method, such as a random number table or a...

46 CFR 16.230 - Random testing requirements.

Code of Federal Regulations, 2014 CFR

2014-10-01

... programs for the chemical testing for dangerous drugs on a random basis of crewmembers on inspected vessels... establish programs for the chemical testing for dangerous drugs on a random basis of crewmembers on... random drug testing shall be made by a scientifically valid method, such as a random number table or a...

40 CFR 370.42 - What is Tier II inventory information?

Code of Federal Regulations, 2014 CFR

2014-07-01

... numbers assigned under the Toxic Release Inventory (TRI) and Risk Management Program. If your facility has... Accident Prevention Provisions, also known as the Risk Management Program. (m) The name, mailing address... year. (s) For each hazardous chemical that you are required to report, you must: (1) Pure Chemical...

Ice Cream Seminars for Graduate Students: Imparting Chemical Information Literacy

ERIC Educational Resources Information Center

Garritano, Jeremy R.

2007-01-01

This article provides information on a chemical information literacy program designed primarily for new graduate students. The full implementation of this program is discussed, including defining its purpose, topics covered, content presented, methods of marketing, and evaluation. The result is a series of voluntary seminars given biweekly…

The ToxCast Chemical Landscape - Paving the Road to 21st Century Toxicology

EPA Science Inventory

The ToxCast high-throughput screening (HTS) program within the U.S. Environmental Protection Agency (EPA) was launched in 2007. Phase I of the program screened 310 chemicals, mostly pesticides, across hundreds of ToxCast assay endpoints. In Phase II, the ToxCast library was exp...

Occurrence and methods of control of chemical contaminants in foods.

PubMed

Jelinek, C

1981-06-01

Contamination of food by chemicals can result from their use on agricultural commodities; accidents or misuse during food handling and processing; nucler weapon testing and operation of nuclear power plants; and disposal of industrial chemicals or by-products with subsequent dispersal into the environment. The Food and Drug Administration (FDA), as the Federal agency mainly responsible for evaluating the hazards of chemical contaminants and enforcing any established tolerance levels for them in foods, has been monitoring pesticides, industrial chemicals, metals, and radionuclides in foods in its nationwide programs for many years. In addition, FDA searches for potential contaminants among the approximately 50,000 industrial chemicals manufactured in the United States and coordinates its efforts with those of other Federal and state agencies in these investigations. The overall results of the FDA surveillance and compliance programs for chemical contaminants in foods, as well as specific examples illustrating the wide range of incidents and types of occurrences, are presented.

Regulation of Chemicals under Section 6(a) of the Toxic Substances Control Act

EPA Pesticide Factsheets

EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

Optical Fiber Protection

NASA Technical Reports Server (NTRS)

1999-01-01

F&S Inc. developed and commercialized fiber optic and microelectromechanical systems- (MEMS) based instrumentation for harsh environments encountered in the aerospace industry. The NASA SBIR programs have provided F&S the funds and the technology to develop ruggedized coatings and coating techniques that are applied during the optical fiber draw process. The F&S optical fiber fabrication facility and developed coating methods enable F&S to manufacture specialty optical fiber with custom designed refractive index profiles and protective or active coatings. F&S has demonstrated sputtered coatings using metals and ceramics and combinations of each, and has also developed techniques to apply thin coatings of specialized polyimides formulated at NASA Langley Research Center. With these capabilities, F&S has produced cost-effective, reliable instrumentation and sensors capable of withstanding temperatures up to 800? C and continues building commercial sales with corporate partners and private funding. More recently, F&S has adapted the same sensing platforms to provide the rapid detection and identification of chemical and biological agents

Planning guidance for the Chemical Stockpile Emergency Preparedness Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shumpert, B.L.; Watson, A.P.; Sorensen, J.H.

1995-02-01

This planning guide was developed under the direction of the U.S. Army and the Federal Emergency Management Agency (FEMA) which jointly coordinate and direct the development of the Chemical Stockpile Emergency Preparedness Program (CSEPP). It was produced to assist state, local, and Army installation planners in formulating and coordinating plans for chemical events that may occur at the chemical agent stockpile storage locations in the continental United States. This document provides broad planning guidance for use by both on-post and off-post agencies and organizations in the development of a coordinated plan for responding to chemical events. It contains checklists tomore » assist in assuring that all important aspects are included in the plans and procedures developed at each Chemical Stockpile Disposal Program (CSDP) location. The checklists are supplemented by planning guidelines in the appendices which provide more detailed guidance regarding some issues. The planning guidance contained in this document will help ensure that adequate coordination between on-post and off-post planners occurs during the planning process. This planning guide broadly describes an adequate emergency planning base that assures that critical planning decisions will be made consistently at every chemical agent stockpile location. This planning guide includes material drawn from other documents developed by the FEMA, the Army, and other federal agencies with emergency preparedness program responsibilities. Some of this material has been developed specifically to meet the unique requirements of the CSEPP. In addition to this guidance, other location-specific documents, technical studies, and support studies should be used as needed to assist in the planning at each of the chemical agent stockpile locations to address the specific hazards and conditions at each location.« less

Investigating the effect of chemical stress and resource ...

EPA Pesticide Factsheets

Modeling exposure and recovery of fish and wildlife populations after stressor mitigation serves as a basis for evaluating population status and remediation success. The Atlantic killifish (Fundulus heteroclitus) is an important and well-studied model organism for understanding the effects of pollutants and other stressors in estuarine and marine ecosystems. Herein, we develop a density dependent matrix population model for Atlantic killifish that analyzes both size-structure and age class-structure of the population so that we could readily incorporate output from a dynamic energy budget (DEB) model currently under development. This population modeling approach emphasizes application in conjunction with field monitoring efforts (e.g., through effects-based monitoring programs) and/or laboratory analysis to link effects due to chemical stress to adverse outcomes in whole organisms and populations. We applied the model using data for killifish exposed to dioxin-like compounds, taken from a previously published study. Specifically, the model was used to investigate population trajectories for Atlantic killifish with dietary exposures to 112, 296, and 875 pg/g of dioxin with effects on fertility and survival rates. All effects were expressed relative to control fish. Further, the population model was employed to examine age and size distributions of a population exposed to resource limitation in addition to chemical stress. For each dietary exposure concentration o

Metabolomics-based chemotaxonomy of root endophytic fungi for natural products discovery.

PubMed

Maciá-Vicente, Jose G; Shi, Yan-Ni; Cheikh-Ali, Zakaria; Grün, Peter; Glynou, Kyriaki; Kia, Sevda Haghi; Piepenbring, Meike; Bode, Helge B

2018-03-01

Fungi are prolific producers of natural products routinely screened for biotechnological applications, and those living endophytically within plants attract particular attention because of their purported chemical diversity. However, the harnessing of their biosynthetic potential is hampered by a large and often cryptic phylogenetic and ecological diversity, coupled with a lack of large-scale natural products' dereplication studies. To guide efforts to discover new chemistries among root-endophytic fungi, we analyzed the natural products produced by 822 strains using an untargeted UPLC-ESI-MS/MS-based approach and linked the patterns of chemical features to fungal lineages. We detected 17 809 compounds of which 7951 were classified in 1992 molecular families, whereas the remaining were considered unique chemistries. Our approach allowed to annotate 1191 compounds with different degrees of accuracy, many of which had known fungal origins. Approximately 61% of the compounds were specific of a fungal order, and differences were observed across lineages in the diversity and characteristics of their chemistries. Chemical profiles also showed variable chemosystematic values across lineages, ranging from relative homogeneity to high heterogeneity among related fungi. Our results provide an extensive resource to dereplicate fungal natural products and may assist future discovery programs by providing a guide for the selection of target fungi. © 2018 Society for Applied Microbiology and John Wiley & Sons Ltd.

MERCURY MEASUREMENTS USING DIRECT-ANALYZER ...

EPA Pesticide Factsheets

Under EPA's Water Quality Research Program, exposure studies are needed to determine how well control strategies and guidance are working. Consequently, reliable and convenient techniques that minimize waste production are of special interest. While traditional methods for determining mercury in solid samples involve the use of aggressive chemicals to dissolve the matrix and the use of other chemicals to properly reduce the mercury to the volatile elemental form, pyrolysis-based analyzers can be used by directly weighing the solid in a sampling boat and initiating the instrumental analysis for total mercury. The research focused on in the subtasks is the development and application of state-of the-art technologies to meet the needs of the public, Office of Water, and ORD in the area of Water Quality. Located In the subtasks are the various research projects being performed in support of this Task and more in-depth coverage of each project. Briefly, each project's objective is stated below.Subtask 1: To integrate state-of-the-art technologies (polar organic chemical integrative samplers, advanced solid-phase extraction methodologies with liquid chromatography/electrospray/mass spectrometry) and apply them to studying the sources and fate of a select list of PPCPs. Application and improvement of analytical methodologies that can detect non-volatile, polar, water-soluble pharmaceuticals in source waters at levels that could be environmentally significant (at con

Gas phase chemical studies of superheavy elements using the Dubna gas-filled recoil separator - Stopping range determination

NASA Astrophysics Data System (ADS)

Wittwer, D.; Abdullin, F. Sh.; Aksenov, N. V.; Albin, Yu. V.; Bozhikov, G. A.; Dmitriev, S. N.; Dressler, R.; Eichler, R.; Gäggeler, H. W.; Henderson, R. A.; Hübener, S.; Kenneally, J. M.; Lebedev, V. Ya.; Lobanov, Yu. V.; Moody, K. J.; Oganessian, Yu. Ts.; Petrushkin, O. V.; Polyakov, A. N.; Piguet, D.; Rasmussen, P.; Sagaidak, R. N.; Serov, A.; Shirokovsky, I. V.; Shaughnessy, D. A.; Shishkin, S. V.; Sukhov, A. M.; Stoyer, M. A.; Stoyer, N. J.; Tereshatov, E. E.; Tsyganov, Yu. S.; Utyonkov, V. K.; Vostokin, G. K.; Wegrzecki, M.; Wilk, P. A.

2010-01-01

Currently, gas phase chemistry experiments with heaviest elements are usually performed with the gas-jet technique with the disadvantage that all reaction products are collected in a gas-filled thermalisation chamber adjacent to the target. The incorporation of a physical preseparation device between target and collection chamber opens up the perspective to perform new chemical studies. But this approach requires detailed knowledge of the stopping force (STF) of the heaviest elements in various materials. Measurements of the energy loss of mercury (Hg), radon (Rn), and nobelium (No) in Mylar and argon (Ar) were performed at low kinetic energies of around (40-270) keV per nucleon. The experimentally obtained values were compared with STF calculations of the commonly used program for calculating stopping and ranges of ions in matter (SRIM). Using the obtained data points an extrapolation of the STF up to element 114, eka-lead, in the same stopping media was carried out. These estimations were applied to design and to perform a first chemical experiment with a superheavy element behind a physical preseparator using the nuclear fusion reaction 244Pu( 48Ca; 3n) 289114. One decay chain assigned to an atom of 285112, the α-decay product of 289114, was observed.

Artificial plasma experiments. Chemical release observations associated with the CRRES program

NASA Technical Reports Server (NTRS)

Mende, Stephen B.

1994-01-01

This report submitted is the final report and covers work performed under the contract for the period Apr. 12, 1985 - Dec. 23, 1993. The CRRES program investigated earth plasma environment by active experiments in which metal vapors were injected into the upper atmosphere and magnetosphere. The vapor clouds perturb the ambient ionospheric / magnetospheric environment and the effects could be monitored by passive observing instruments. Our part of the CRRES program, the Artificial Plasma Experiment program, was a ground based and aircraft based investigation to observe artificial chemical releases by optical techniques.

34 CFR 225.3 - What regulations apply to the Credit Enhancement for Charter School Facilities Program?

Code of Federal Regulations, 2013 CFR

2013-07-01

... Charter School Facilities Program? 225.3 Section 225.3 Education Regulations of the Offices of the... ENHANCEMENT FOR CHARTER SCHOOL FACILITIES PROGRAM General § 225.3 What regulations apply to the Credit Enhancement for Charter School Facilities Program? The following regulations apply to the Credit Enhancement...

34 CFR 225.3 - What regulations apply to the Credit Enhancement for Charter School Facilities Program?

Code of Federal Regulations, 2014 CFR

2014-07-01

... Charter School Facilities Program? 225.3 Section 225.3 Education Regulations of the Offices of the... ENHANCEMENT FOR CHARTER SCHOOL FACILITIES PROGRAM General § 225.3 What regulations apply to the Credit Enhancement for Charter School Facilities Program? The following regulations apply to the Credit Enhancement...

34 CFR 225.3 - What regulations apply to the Credit Enhancement for Charter School Facilities Program?

Code of Federal Regulations, 2012 CFR

2012-07-01

... Charter School Facilities Program? 225.3 Section 225.3 Education Regulations of the Offices of the... ENHANCEMENT FOR CHARTER SCHOOL FACILITIES PROGRAM General § 225.3 What regulations apply to the Credit Enhancement for Charter School Facilities Program? The following regulations apply to the Credit Enhancement...

34 CFR 225.3 - What regulations apply to the Credit Enhancement for Charter School Facilities Program?

Code of Federal Regulations, 2011 CFR

2011-07-01

... Charter School Facilities Program? 225.3 Section 225.3 Education Regulations of the Offices of the... ENHANCEMENT FOR CHARTER SCHOOL FACILITIES PROGRAM General § 225.3 What regulations apply to the Credit Enhancement for Charter School Facilities Program? The following regulations apply to the Credit Enhancement...

34 CFR 225.3 - What regulations apply to the Credit Enhancement for Charter School Facilities Program?

Code of Federal Regulations, 2010 CFR

2010-07-01

... Charter School Facilities Program? 225.3 Section 225.3 Education Regulations of the Offices of the... ENHANCEMENT FOR CHARTER SCHOOL FACILITIES PROGRAM General § 225.3 What regulations apply to the Credit Enhancement for Charter School Facilities Program? The following regulations apply to the Credit Enhancement...

34 CFR 637.3 - What regulations apply to the Minority Science and Engineering Improvement Program?

Code of Federal Regulations, 2013 CFR

2013-07-01

... Engineering Improvement Program? 637.3 Section 637.3 Education Regulations of the Offices of the Department of... ENGINEERING IMPROVEMENT PROGRAM General § 637.3 What regulations apply to the Minority Science and Engineering Improvement Program? The following regulations apply to the Minority Science and Engineering Improvement...