A crowdsourcing workflow for extracting chemical-induced disease relations from free text.

Science.gov (United States)

Li, Tong Shu; Bravo, Àlex; Furlong, Laura I; Good, Benjamin M; Su, Andrew I

2016-01-01

Relations between chemicals and diseases are one of the most queried biomedical interactions. Although expert manual curation is the standard method for extracting these relations from the literature, it is expensive and impractical to apply to large numbers of documents, and therefore alternative methods are required. We describe here a crowdsourcing workflow for extracting chemical-induced disease relations from free text as part of the BioCreative V Chemical Disease Relation challenge. Five non-expert workers on the CrowdFlower platform were shown each potential chemical-induced disease relation highlighted in the original source text and asked to make binary judgments about whether the text supported the relation. Worker responses were aggregated through voting, and relations receiving four or more votes were predicted as true. On the official evaluation dataset of 500 PubMed abstracts, the crowd attained a 0.505F-score (0.475 precision, 0.540 recall), with a maximum theoretical recall of 0.751 due to errors with named entity recognition. The total crowdsourcing cost was $1290.67 ($2.58 per abstract) and took a total of 7 h. A qualitative error analysis revealed that 46.66% of sampled errors were due to task limitations and gold standard errors, indicating that performance can still be improved. All code and results are publicly available athttps://github.com/SuLab/crowd_cid_relexDatabase URL:https://github.com/SuLab/crowd_cid_relex. © The Author(s) 2016. Published by Oxford University Press.

A crowdsourcing workflow for extracting chemical-induced disease relations from free text

Science.gov (United States)

Li, Tong Shu; Bravo, Àlex; Furlong, Laura I.; Good, Benjamin M.; Su, Andrew I.

2016-01-01

Relations between chemicals and diseases are one of the most queried biomedical interactions. Although expert manual curation is the standard method for extracting these relations from the literature, it is expensive and impractical to apply to large numbers of documents, and therefore alternative methods are required. We describe here a crowdsourcing workflow for extracting chemical-induced disease relations from free text as part of the BioCreative V Chemical Disease Relation challenge. Five non-expert workers on the CrowdFlower platform were shown each potential chemical-induced disease relation highlighted in the original source text and asked to make binary judgments about whether the text supported the relation. Worker responses were aggregated through voting, and relations receiving four or more votes were predicted as true. On the official evaluation dataset of 500 PubMed abstracts, the crowd attained a 0.505 F-score (0.475 precision, 0.540 recall), with a maximum theoretical recall of 0.751 due to errors with named entity recognition. The total crowdsourcing cost was $1290.67 ($2.58 per abstract) and took a total of 7 h. A qualitative error analysis revealed that 46.66% of sampled errors were due to task limitations and gold standard errors, indicating that performance can still be improved. All code and results are publicly available at https://github.com/SuLab/crowd_cid_relex Database URL: https://github.com/SuLab/crowd_cid_relex PMID:27087308

Methodology for national risk analysis and prioritization of toxic industrial chemicals.

Science.gov (United States)

Taxell, Piia; Engström, Kerstin; Tuovila, Juha; Söderström, Martin; Kiljunen, Harri; Vanninen, Paula; Santonen, Tiina

2013-01-01

The identification of chemicals that pose the greatest threat to human health from incidental releases is a cornerstone in public health preparedness for chemical threats. The present study developed and applied a methodology for the risk analysis and prioritization of industrial chemicals to identify the most significant chemicals that pose a threat to public health in Finland. The prioritization criteria included acute and chronic health hazards, physicochemical and environmental hazards, national production and use quantities, the physicochemical properties of the substances, and the history of substance-related incidents. The presented methodology enabled a systematic review and prioritization of industrial chemicals for the purpose of national public health preparedness for chemical incidents.

Spectroscopic Chemical Analysis Methods and Apparatus

Science.gov (United States)

Hug, William F. (Inventor); Reid, Ray D. (Inventor); Bhartia, Rohit (Inventor); Lane, Arthur L. (Inventor)

2018-01-01

Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted along with photoluminescence spectroscopy (i.e. fluorescence and/or phosphorescence spectroscopy) to provide high levels of sensitivity and specificity in the same instrument.

Chemical process hazards analysis

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-02-01

The Office of Worker Health and Safety (EH-5) under the Assistant Secretary for the Environment, Safety and Health of the US Department (DOE) has published two handbooks for use by DOE contractors managing facilities and processes covered by the Occupational Safety and Health Administration (OSHA) Rule for Process Safety Management of Highly Hazardous Chemicals (29 CFR 1910.119), herein referred to as the PSM Rule. The PSM Rule contains an integrated set of chemical process safety management elements designed to prevent chemical releases that can lead to catastrophic fires, explosions, or toxic exposures. The purpose of the two handbooks, ``Process Safety Management for Highly Hazardous Chemicals`` and ``Chemical Process Hazards Analysis,`` is to facilitate implementation of the provisions of the PSM Rule within the DOE. The purpose of this handbook ``Chemical Process Hazards Analysis,`` is to facilitate, within the DOE, the performance of chemical process hazards analyses (PrHAs) as required under the PSM Rule. It provides basic information for the performance of PrHAs, and should not be considered a complete resource on PrHA methods. Likewise, to determine if a facility is covered by the PSM rule, the reader should refer to the handbook, ``Process Safety Management for Highly Hazardous Chemicals`` (DOE- HDBK-1101-96). Promulgation of the PSM Rule has heightened the awareness of chemical safety management issues within the DOE. This handbook is intended for use by DOE facilities and processes covered by the PSM rule to facilitate contractor implementation of the PrHA element of the PSM Rule. However, contractors whose facilities and processes not covered by the PSM Rule may also use this handbook as a basis for conducting process hazards analyses as part of their good management practices. This handbook explains the minimum requirements for PrHAs outlined in the PSM Rule. Nowhere have requirements been added beyond what is specifically required by the rule.

Relation Between Sustainability‑Related Communication and Competitiveness in the Chemical Industry

Directory of Open Access Journals (Sweden)

Jaroslava Hyršlová

2017-01-01

Full Text Available Interests of companies in the sustainability‑related communication have risen considerably in recent years. This paper focuses on the current state of sustainability‑related reporting in chemical industry companies registered in the Association of Chemical Industry in the Czech Republic. It deals with the form and the content of reporting, the importance of different stakeholders in this process as well as benefits of the sustainability‑related communication and its impacts on competitiveness of the company. This paper summarizes the results of a research executed in the year 2014. The results of the research showed that chemical industry companies were aware of the significance of sustainability‑related communication and they utilized various types of sustainability‑related reports for this communication. Companies prefer to report on the environmental and social aspects of their activities primarily in their annual reports, or they issue separate environmental reports. The research verified the relationship between the sustainability‑related communication and competitiveness. A suitable established high quality system of communication that provides sufficient information and meets the information requirements of the key stakeholders may significantly contribute to reputation improvement, to increased attractiveness of the company as an employer and thereby to maintain, to improve respectively, the level of a company’s competitiveness.

Identification of chemicals related to the chemical weapons convention during an interlaboratory proficiency test

NARCIS (Netherlands)

Hooijschuur, E.W.J.; Hulst, A.G.; Jong, A.L. de; Reuver, L.P. de; Krimpen, S.H. van; Baar, B.L.M. van; Wils, E.R.J.; Kientz, C.E.; Brinkman, U.A.Th

2002-01-01

In order to test the ability of laboratories to detect and identify chemicals related to the Chemical Weapons Convention (CWC), which prohibits the development, production, stockpiling and use of chemical weapons, and to designate laboratories for this task, the Technical Secretariat of the

Accumulation of radium in relation to some chemical analogues in Dicranopteris linearis

International Nuclear Information System (INIS)

Chao, J.H.; Chuang, C.Y.

2011-01-01

This study elucidates the uptake and accumulation of radium in the field-growing fern Dicranopteris linearis by relating the radium concentration to some potential chemical analogues, including alkaline earth metals, rare earth elements, and some important heavy metals. Time-dependent accumulation of radium and these chemical analogues for D. linearis were described by the 228 Th/ 228 Ra activity ratio, an index for inferring plant age. The correlation between radium and these elements was assessed by statistical analysis and used as a reference to elucidate the uptake and accumulation of radium in relation to the chemical analogues. Analytical and statistical results showed that the concentrations of alkaline earth metals (except for Mg) rare earth elements and some heavy metals in D. linearis increased linearly with plant age. These elements, exhibiting a similar accumulation pattern to radium and significant correlation coefficients with radium, were considered as the chemical analogues to radium. Additionally, the plant/soil concentration ratios (CRs) for radium and most of these analogues in D. linearis exceeded 1, consistent with the definition of hyper-accumulator plants.

Determinants of job stress in chemical process industry: A factor analysis approach.

Science.gov (United States)

Menon, Balagopal G; Praveensal, C J; Madhu, G

2015-01-01

Job stress is one of the active research domains in industrial safety research. The job stress can result in accidents and health related issues in workers in chemical process industries. Hence it is important to measure the level of job stress in workers so as to mitigate the same to avoid the worker's safety related problems in the industries. The objective of this study is to determine the job stress factors in the chemical process industry in Kerala state, India. This study also aims to propose a comprehensive model and an instrument framework for measuring job stress levels in the chemical process industries in Kerala, India. The data is collected through a questionnaire survey conducted in chemical process industries in Kerala. The collected data out of 1197 surveys is subjected to principal component and confirmatory factor analysis to develop the job stress factor structure. The factor analysis revealed 8 factors that influence the job stress in process industries. It is also found that the job stress in employees is most influenced by role ambiguity and the least by work environment. The study has developed an instrument framework towards measuring job stress utilizing exploratory factor analysis and structural equation modeling.

Neutron activation analysis of high-purity iron in comparison with chemical analysis

International Nuclear Information System (INIS)

Kinomura, Atsushi; Horino, Yuji; Takaki, Seiichi; Abiko, Kenji

2000-01-01

Neutron activation analysis of iron samples of three different purity levels has been performed and compared with chemical analysis for 30 metallic and metalloid impurity elements. The concentration of As, Cl, Cu, Sb and V detected by neutron activation analysis was mostly in agreement with that obtained by chemical analysis. The sensitivity limits of neutron activation analysis of three kinds of iron samples were calculated and found to be reasonable compared with measured values or detection limits of chemical analysis; however, most of them were above the detection limits of chemical analysis. Graphite-shielded irradiation to suppress fast neutron reactions was effective for Mn analysis without decreasing sensitivity to the other impurity elements. (author)

Chemical analysis of water in hydrogeology

International Nuclear Information System (INIS)

Flakova, R.; Zenisova, Z.; Seman, M.

2010-01-01

The aim of the monograph is to give complete information on the chemical analysis of water hydrogeology not only for the students program of Geology study (Bachelor degree study), Engineering Geology and Hydrogeology (Master's degree study) and Engineering Geology (doctoral level study), but also for students from other colleges and universities schools in Slovakia, as well as in the Czech Republic, dealing with the chemical composition of water and its quality, from different perspectives. The benefit would be for professionals with hydrogeological, water and environmental practices, who can find there all the necessary information about proper water sampling, the units used in the chemical analysis of water, expressing the proper chemical composition of water in its various parameters through classification of chemical composition of the water up to the basic features of physical chemistry at thermodynamic calculations and hydrogeochemical modelling.

Molecular activation analysis for chemical speciation studies

International Nuclear Information System (INIS)

Chai-Chifang

1998-01-01

The term of Molecular Activation Analysis (MAA) refers to an activation analysis method that is able to provide information about the chemical species of elements in system of interests, though its definition has remained to be assigned. Its development is strongly stimulated by the urgent need to know the chemical species of elements, because the total concentrations are often without any meaning when assessing health or environmental risks of trace elements.In practice, the MAA is a combination of conventional instrumental or radiochemical activation analysis and physical, chemical or biochemical separation techniques. The MAA is able to play a particular role in speciation studies. However, the critical point in the MAA is that it is not permitted to change the primitive chemical species of elements in systems, or the change has to be under control; in the meantime it is not allowed to form the 'new artifact' originally not present in systems. Some practical examples of MAA for chemical species research performed recently in our laboratory will be presented as follows: Chemical species of platinum group elements in sediment; Chemical species of iodine in marine algae; Chemical species of mercury in human tissues; Chemical species of selenium in corn; Chemical species of rare earth elements in natural plant, etc. The merits and limitations of MAA will be described as well. (author)

Ultrastructural Analysis of Urinary Stones by Microfocus Computed Tomography and Comparison with Chemical Analysis

Directory of Open Access Journals (Sweden)

Tolga Karakan

2016-06-01

Full Text Available Objective: To investigate the ultra-structure of urinary system stones using micro-focus computed tomography (MCT, which makes non-destructive analysis and to compare with wet chemical analysis. Methods: This study was carried out at the Ankara Train­ing and Research hospital. Renal stones, removed from 30 patients during percutaneous nephrolithotomy (PNL surgery, were included in the study. The stones were blindly evaluated by the specialists with MCT and chemi­cal analysis. Results: The comparison of the stone components be­tween chemical analysis and MCT, showed that the rate of consistence was very low (p0.05. It was also seen that there was no significant relation between its 3D structure being heterogeneous or homogenous. Conclusion: The stone analysis with MCT is a time con­suming and costly method. This method is useful to un­derstand the mechanisms of stone formation and an im­portant guide to develop the future treatment modalities.

Chemical ecotoxicology

International Nuclear Information System (INIS)

Paasivirta, J.

1991-01-01

This book discusses risk assessment, chemical cycles, structure-activity relations, organohalogens, oil residues, mercury, sampling and analysis of trace chemicals, and emissions from the forestry industry. Topics include: Cycles of chemicals in the environment. Rick assessment and management, strucuture and toxicity, sampling and analysis of trace chemicals in environment, interpretation of the environmental analysis results, mercury in the environment, organohalogen compounds in the environment, emissions from forestry industry, oil residues in the environment: oil spills in the marine environment

Chemical analysis of high purity graphite

International Nuclear Information System (INIS)

1993-03-01

The Sub-Committee on Chemical Analysis of Graphite was organized in April 1989, under the Committee on Chemical Analysis of Nuclear Fuels and Reactor Materials, JAERI. The Sub-Committee carried out collaborative analyses among eleven participating laboratories for the certification of the Certified Reference Materials (CRMs), JAERI-G5 and G6, after developing and evaluating analytical methods during the period of September 1989 to March 1992. The certified values were given for ash, boron and silicon in the CRM based on the collaborative analysis. The values for ten elements (Al, Ca, Cr, Fe, Mg, Mo, Ni, Sr, Ti, V) were not certified, but given for information. Preparation, homogeneity testing and chemical analyses for certification of reference materials were described in this paper. (author) 52 refs

Chemical Abundance Analysis of Moving Group W11450 (Latham 1)

Science.gov (United States)

O'Connell, Julia E.; Martens, Kylee; Frinchaboy, Peter M.

2016-12-01

We present elemental abundances for all seven stars in Moving Group W11450 (Latham 1) to determine if they may be chemically related. These stars appear to be both spatially and kinematically related, but no spectroscopic abundance analysis exists in literature. Abundances for eight elements were derived via equivalent width analyses of high-resolution (R ˜ 60,000), high-signal-to-noise ratio ( ˜ 100) spectra obtained with the Otto Struve 2.1 m telescope and the Sandiford Echelle Spectrograph at McDonald Observatory. The large star-to-star scatter in metallicity, -0.55 ≤ [Fe/H] ≤slant 0.06 dex (σ = 0.25), implies these stars were not produced from the same chemically homogeneous molecular cloud, and are therefore not part of a remnant or open cluster as previously proposed. Prior to this analysis, it was suggested that two stars in the group, W11449 and W11450, are possible wide binaries. The candidate wide binary pair show similar chemical abundance patterns with not only iron but with other elements analyzed in this study, suggesting the proposed connection between these two stars may be real.

Cell behavior related to implant surfaces with different microstructure and chemical composition: an in vitro analysis.

Science.gov (United States)

Conserva, Enrico; Lanuti, Anna; Menini, Maria

2010-01-01

This paper reports on an in vitro comparison of osteoblast and mesenchymal stem cell (MSC) adhesion, proliferation, and differentiation related to two different surface treatments applied to the same implant design to determine whether the interaction between cells and implants is influenced by surface structure and chemical composition of the implants. Thirty-nine implants with a sandblasted (SB) surface and 39 implants with a grit-blasted and high-temperature acid-etched (GBAE) surface were used. The implant macrostructures and microstructures were analyzed by high- and low-voltage scanning electron microscopy (SEM) and by stereo-SEM. The surface chemical composition was investigated by energy dispersive analysis and x-ray photoemission spectroscopy. SaOS-2 osteoblasts and human MSCs were used for the evaluation of cell proliferation and alkaline phosphatase enzymatic activity in contact with the two surfaces. The GBAE surface showed fewer contaminants and a very high percentage of titanium (19.7%) compared to the SB surface (14.2%). The two surfaces showed similar mean roughness (Ra), but the depth (Rz) and density (RSm) of the porosity were significantly increased in the GBAE surface. The GBAE surface presented more osteoblast and MSC proliferation than the SB surface. No statistically significant differences in alkaline phosphatase activity were found between surfaces for either cellular line. The GBAE surface showed less surface contaminants and a higher percentage of titanium (19.7%) than the SB surface. The macro/micropore structured design and chemical composition of the GBAE surface allowed greater cell adhesion and proliferation and an earlier cell spreading but did not play an obvious role in in vitro cellular differentiation.

Utilization of chemical derivatives in activation analysis

International Nuclear Information System (INIS)

Ehmann, W.D.

1990-01-01

Derivative activation analysis (DAA) is a method to enhance the sensitivity of nuclear activation analysis for the more elusive elements. It may also allow a degree of chemical speciation for the element of interest. DAA uses a preirradiation chemical reaction on the sample to initiate the formation of, or an exchange with, a chemical complex which contains a surrogate element, M. As a result, the amount of the element or the chemical species to be determined, X, is now represented by measurement of the amount of the surrogate element, M, that is made part of, or released by the complex species. The surrogate element is selected for its superior properties for nuclear activation analysis and the absence of interference reaction in its final determination by instrumental neutron activation analysis (INAA) after some preconcentration or separation chemistry. Published DAA studies have been limited to neutron activation analysis. DAA can offer the analyst some important advantages. It can determine elements, functional groups, or chemical species which cannot be determined directly by INAA, fast neutron activation analysis (FNAA), prompt gamma neutron activation analysis (PGNAA), or charged particle activation analysis (CPAA) procedures. When compared with conventional RNAA, there are fewer precautions with respect to handling of intensely radioactive samples, since the chemistry is done before the irradiation. The preirradiation chemistry may also eliminate many interferences that might occur in INAA and, through use of an appropriate surrogate element, can place the analytical gamma-ray line in an interference-free region of the gamma-ray spectrum

21 CFR 1300.02 - Definitions relating to listed chemicals.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 9 2010-04-01 2010-04-01 false Definitions relating to listed chemicals. 1300.02 Section 1300.02 Food and Drugs DRUG ENFORCEMENT ADMINISTRATION, DEPARTMENT OF JUSTICE DEFINITIONS § 1300.02 Definitions relating to listed chemicals. (a) Any term not defined in this part shall have the...

NMR determination of chemically related metals in solution as a new method of inorganic analysis

International Nuclear Information System (INIS)

Fedorov, L.A.

1989-01-01

An NMR spectroscopic method for the determination of chemically related metals in solution is suggested. The metals are determined in complexes with specially selected polydentate ligands. Structural requirements to ligands, analytical properties and general limits of the application of the method are discussed. (orig.)

Endocrine-disrupting Chemicals: Review of Toxicological Mechanisms Using Molecular Pathway Analysis

Science.gov (United States)

Yang, Oneyeol; Kim, Hye Lim; Weon, Jong-Il; Seo, Young Rok

2015-01-01

Endocrine disruptors are known to cause harmful effects to human through various exposure routes. These chemicals mainly appear to interfere with the endocrine or hormone systems. As importantly, numerous studies have demonstrated that the accumulation of endocrine disruptors can induce fatal disorders including obesity and cancer. Using diverse biological tools, the potential molecular mechanisms related with these diseases by exposure of endocrine disruptors. Recently, pathway analysis, a bioinformatics tool, is being widely used to predict the potential mechanism or biological network of certain chemicals. In this review, we initially summarize the major molecular mechanisms involved in the induction of the above mentioned diseases by endocrine disruptors. Additionally, we provide the potential markers and signaling mechanisms discovered via pathway analysis under exposure to representative endocrine disruptors, bisphenol, diethylhexylphthalate, and nonylphenol. The review emphasizes the importance of pathway analysis using bioinformatics to finding the specific mechanisms of toxic chemicals, including endocrine disruptors. PMID:25853100

Chemical-induced disease relation extraction with various linguistic features.

Science.gov (United States)

Gu, Jinghang; Qian, Longhua; Zhou, Guodong

2016-01-01

Understanding the relations between chemicals and diseases is crucial in various biomedical tasks such as new drug discoveries and new therapy developments. While manually mining these relations from the biomedical literature is costly and time-consuming, such a procedure is often difficult to keep up-to-date. To address these issues, the BioCreative-V community proposed a challenging task of automatic extraction of chemical-induced disease (CID) relations in order to benefit biocuration. This article describes our work on the CID relation extraction task on the BioCreative-V tasks. We built a machine learning based system that utilized simple yet effective linguistic features to extract relations with maximum entropy models. In addition to leveraging various features, the hypernym relations between entity concepts derived from the Medical Subject Headings (MeSH)-controlled vocabulary were also employed during both training and testing stages to obtain more accurate classification models and better extraction performance, respectively. We demoted relation extraction between entities in documents to relation extraction between entity mentions. In our system, pairs of chemical and disease mentions at both intra- and inter-sentence levels were first constructed as relation instances for training and testing, then two classification models at both levels were trained from the training examples and applied to the testing examples. Finally, we merged the classification results from mention level to document level to acquire final relations between chemicals and diseases. Our system achieved promisingF-scores of 60.4% on the development dataset and 58.3% on the test dataset using gold-standard entity annotations, respectively. Database URL:https://github.com/JHnlp/BC5CIDTask. © The Author(s) 2016. Published by Oxford University Press.

An extended chemical analysis of gallstone.

Science.gov (United States)

Chandran, P; Kuchhal, N K; Garg, P; Pundir, C S

2007-09-01

Chemical composition of gall stones is essential for aetiopathogensis of gallstone disease. We have reported quantitative chemical analysis of total cholesterol bilirubin, calcium, iron and inorganic phosphate in 120 gallstones from haryana. To extend this chemical analysis of gall stones by studying more cases and by analyzing more chemical constituents. A quantitative chemical analysis of total cholesterol, total bilirubin, fatty acids, triglycerides, phospholipids, bile acids, soluble proteins, sodium potassium, magnesium, copper, oxalate and chlorides of biliary calculi (52 cholesterol, 76 mixed and 72 pigment) retrieved from surgical operation of 200 patients from Haryana state was carried out. Total cholesterol as the major component and total bilirubin, phospholipids, triglycerides, bile acids, fatty acids (esterified), soluble protein, calcium, magnesium, iron, copper, sodium, potassium, inorganic phosphate, oxalate and chloride as minor components were found in all types of calculi. The cholesterol stones had higher content of total cholesterol, phospholipids, fatty acids (esterified), inorganic phosphate and copper compared to mixed and pigment stones. The mixed stones had higher content of iron and triglycerides than to cholesterol and pigment stones. The pigment stones were richer in total bilirubin, bile acids, calcium, oxalate, magnesium, sodium, potassium, chloride and soluble protein compared to cholesterol and mixed stones. Although total cholesterol was a major component of cholesterol, mixed and pigment gall stone in Haryana, the content of most of the other lipids, cations and anions was different in different gall stones indicating their different mechanism of formation.

Closing in on chemical bonds by opening up relativity theory.

Science.gov (United States)

Whitney, Cynthia K

2008-03-01

This paper develops a connection between the phenomenology of chemical bonding and the theory of relativity. Empirical correlations between electron numbers in atoms and chemical bond stabilities in molecules are first reviewed and extended. Quantitative chemical bond strengths are then related to ionization potentials in elements. Striking patterns in ionization potentials are revealed when the data are viewed in an element-independent way, where element-specific details are removed via an appropriate scaling law. The scale factor involved is not explained by quantum mechanics; it is revealed only when one goes back further, to the development of Einstein's special relativity theory.

Service activities of chemical analysis division

International Nuclear Information System (INIS)

Eom, Tae Yoon; Suh, Moo Yul; Park, Kyoung Kyun; Jung, Ki Suk; Joe, Kih Soo; Jee, Kwang Yong; Jung, Woo Sik; Sohn, Se Chul; Yeo, In Heong; Han, Sun Ho

1988-12-01

Progress of the Division during the year of 1988 was described on the service activities for various R and D projects carrying out in the Institute, for the fuel fabrication and conversion plant, and for the post-irradiation examination facility. Relevant analytical methodologies developed for the chemical analysis of an irradiated fuel, safeguards chemical analysis, and pool water monitoring were included such as chromatographic separation of lanthanides, polarographic determination of dissolved oxygen in water, and automation on potentiometric titration of uranium. Some of the laboratory manuals revised were also included in this progress report. (Author)

Forecasting global developments in the basic chemical industry for environmental policy analysis

International Nuclear Information System (INIS)

Broeren, M.L.M.; Saygin, D.; Patel, M.K.

2014-01-01

The chemical sector is the largest industrial energy user, but detailed analysis of its energy use developments lags behind other energy-intensive sectors. A cost-driven forecasting model for basic chemicals production is developed, accounting for regional production costs, demand growth and stock turnover. The model determines the global production capacity placement, implementation of energy-efficient Best Practice Technology (BPT) and global carbon dioxide (CO 2 ) emissions for the period 2010–2030. Subsequently, the effects of energy and climate policies on these parameters are quantified. About 60% of new basic chemical production capacity is projected to be placed in non-OECD regions by 2030 due to low energy prices. While global production increases by 80% between 2010 and 2030, the OECD's production capacity share decreases from 40% to 20% and global emissions increase by 50%. Energy pricing and climate policies are found to reduce 2030 CO 2 emissions by 5–15% relative to the baseline developments by increasing BPT implementation. Maximum BPT implementation results in a 25% reduction. Further emission reductions require measures beyond energy-efficient technologies. The model is useful to estimate general trends related to basic chemicals production, but improved data from the chemical sector is required to expand the analysis to additional technologies and chemicals. - Highlights: • We develop a global cost-driven forecasting model for the basic chemical sector. • We study regional production, energy-efficient technology, emissions and policies. • Between 2010 and 2030, 60% of new chemicals capacity is built in non-OECD regions. • Global CO 2 emissions rise by 50%, but climate policies may limit this to 30–40%. • Measures beyond energy efficiency are needed to prevent increasing CO 2 emissions

Application of hazard analysis critical control points (HACCP) to organic chemical contaminants in food.

Science.gov (United States)

Ropkins, K; Beck, A J

2002-03-01

Hazard Analysis Critical Control Points (HACCP) is a systematic approach to the identification, assessment, and control of hazards that was developed as an effective alternative to conventional end-point analysis to control food safety. It has been described as the most effective means of controlling foodborne diseases, and its application to the control of microbiological hazards has been accepted internationally. By contrast, relatively little has been reported relating to the potential use of HACCP, or HACCP-like procedures, to control chemical contaminants of food. This article presents an overview of the implementation of HACCP and discusses its application to the control of organic chemical contaminants in the food chain. Although this is likely to result in many of the advantages previously identified for microbiological HACCP, that is, more effective, efficient, and economical hazard management, a number of areas are identified that require further research and development. These include: (1) a need to refine the methods of chemical contaminant identification and risk assessment employed, (2) develop more cost-effective monitoring and control methods for routine chemical contaminant surveillance of food, and (3) improve the effectiveness of process optimization for the control of chemical contaminants in food.

Cluster analysis to evaluate stable chemical elements and physical-chemical parameters behavior on uranium mining waste

International Nuclear Information System (INIS)

Pereira, Wagner de Souza; Py Junior, Delcy de Azevedo; Goncalves, Simone; Kelecom, Alphonse; Morais, Gustavo Ferrari de; Campelo, Emanuele Lazzaretti Cordova; Dores, Luis Augusto de Carvalho Bresser

2011-01-01

The Ore Treating Unit (UTM, in portuguese) is a deactivated uranium mine. A cluster analysis was used to evaluate the behavior of stable chemical elements and physical-chemical parameters in their effluents. The utilization of the cluster analysis proved itself effective in the assessment, allowing the identification of groups of chemical elements, physical-chemical parameters and their joint analysis (elements and parameters). As a result we may assert, based on data analysis, that there is a strong link between calcium and magnesium and between aluminum and rare-earth oxides on UTM's effluents. Sulphate was also identified as strongly linked to total and dissolved solids, and those to electrical conductivity. There were other associations, but not so strongly linked. Further gathering, to seasonal evaluation, are required in order to confirm those analysis. Additional statistical analysis (factor analysis) must be used to try to identify the origin of the identified groups on this analysis. (author)

Cluster analysis to evaluate stable chemical elements and physical-chemical parameters behavior on uranium mining waste

Energy Technology Data Exchange (ETDEWEB)

Pereira, Wagner de Souza; Py Junior, Delcy de Azevedo; Goncalves, Simone, E-mail: wspereira@inb.gov.br [Unidade de Tratamento de Minerio (UTM/INB), Pocos de Caldas, MG (Brazil). Coordenacao de Protecao Radiologica. Grupo Multidisciplinar de Radioprotecao; Kelecom, Alphonse [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Inst. de Biologia. Lab. de Radiobiologia e Radiometria Pedro Lopes dos Santos; Morais, Gustavo Ferrari de; Campelo, Emanuele Lazzaretti Cordova [Unidade de Tratamento de Minerio (UTM/INB), Pocos de Caldas, MG (Brazil). Coordenacao de Desenvolvimento de Processos; Dores, Luis Augusto de Carvalho Bresser [Unidade de Tratamento de Minerio (UTM/INB), Pocos de Caldas, MG (Brazil). Gerencia de Descomissionamento

2011-07-01

The Ore Treating Unit (UTM, in portuguese) is a deactivated uranium mine. A cluster analysis was used to evaluate the behavior of stable chemical elements and physical-chemical parameters in their effluents. The utilization of the cluster analysis proved itself effective in the assessment, allowing the identification of groups of chemical elements, physical-chemical parameters and their joint analysis (elements and parameters). As a result we may assert, based on data analysis, that there is a strong link between calcium and magnesium and between aluminum and rare-earth oxides on UTM's effluents. Sulphate was also identified as strongly linked to total and dissolved solids, and those to electrical conductivity. There were other associations, but not so strongly linked. Further gathering, to seasonal evaluation, are required in order to confirm those analysis. Additional statistical analysis (factor analysis) must be used to try to identify the origin of the identified groups on this analysis. (author)

Synthesis of reference compounds related to Chemical Weapons Convention for verification and drug development purposes – a Brazilian endeavour

Science.gov (United States)

Cavalcante, S. F. A.; de Paula, R. L.; Kitagawa, D. A. S.; Barcellos, M. C.; Simas, A. B. C.; Granjeiro, J. M.

2018-03-01

This paper deals with challenges that Brazilian Army Organic Synthesis Laboratory has been going through to access reference compounds related to the Chemical Weapons Convention in order to support verification analysis and for research of novel antidotes. Some synthetic procedures to produce the chemicals, as well as Quality Assurance issues and a brief introduction of international agreements banning chemical weapons are also presented.

Systems analysis of past, present, and future chemical terrorism scenarios.

Energy Technology Data Exchange (ETDEWEB)

Hoette, Trisha Marie

2012-03-01

Throughout history, as new chemical threats arose, strategies for the defense against chemical attacks have also evolved. As a part of an Early Career Laboratory Directed Research and Development project, a systems analysis of past, present, and future chemical terrorism scenarios was performed to understand how the chemical threats and attack strategies change over time. For the analysis, the difficulty in executing chemical attack was evaluated within a framework of three major scenario elements. First, historical examples of chemical terrorism were examined to determine how the use of chemical threats, versus other weapons, contributed to the successful execution of the attack. Using the same framework, the future of chemical terrorism was assessed with respect to the impact of globalization and new technologies. Finally, the efficacy of the current defenses against contemporary chemical terrorism was considered briefly. The results of this analysis justify the need for continued diligence in chemical defense.

How to tackle chemical communication? Relative proportions versus semiquantitative determination of compounds in lizard chemical secretions.

Science.gov (United States)

García-Roa, Roberto; Sáiz, Jorge; Gómara, Belén; López, Pilar; Martín, José

2018-02-01

Knowledge about chemical communication in some vertebrates is still relatively limited. Squamates are a glaring example of this, even when recent evidences indicate that scents are involved in social and sexual interactions. In lizards, where our understanding of chemical communication has considerably progressed in the last few years, many questions about chemical interactions remain unanswered. A potential reason for this is the inherent complexity and technical limitations that some methodologies embody when analyzing the compounds used to convey information. We provide here a straightforward procedure to analyze lizard chemical secretions based on gas chromatography coupled to mass spectrometry that uses an internal standard for the semiquantification of compounds. We compare the results of this method with those obtained by the traditional procedure of calculating relative proportions of compounds. For such purpose, we designed two experiments to investigate if these procedures allowed revealing changes in chemical secretions 1) when lizards received previously a vitamin dietary supplementation or 2) when the chemical secretions were exposed to high temperatures. Our results show that the procedure based on relative proportions is useful to describe the overall chemical profile, or changes in it, at population or species levels. On the other hand, the use of the procedure based on semiquantitative determination can be applied when the target of study is the variation in one or more particular compounds of the sample, as it has proved more accurate detecting quantitative variations in the secretions. This method would reveal new aspects produced by, for example, the effects of different physiological and climatic factors that the traditional method does not show.

Relative Configuration of Natural Products Using NMR Chemical Shifts

Science.gov (United States)

By comparing calculated with experimental NMR chemical shifts, we were able to determine the relative configurations of three monoterpene diastereomers produced by the walkingstick Anisomorpha buprestoides. The combined RMSDs of both 1H and 13C quantum chemically calculated shifts were able to predi...

Microprocessors in automatic chemical analysis

International Nuclear Information System (INIS)

Goujon de Beauvivier, M.; Perez, J.-J.

1979-01-01

Application of microprocessors to programming and computing of solutions chemical analysis by a sequential technique is examined. Safety, performances reliability are compared to other methods. An example is given on uranium titration by spectrophotometry [fr

Relating physico-chemical properties of frozen green peas (Pisum sativum L.) to sensory quality.

Science.gov (United States)

Nleya, Kathleen M; Minnaar, Amanda; de Kock, Henriëtte L

2014-03-30

The acceptability of frozen green peas depends on their sensory quality. There is a need to relate physico-chemical parameters to sensory quality. In this research, six brands of frozen green peas representing product sold for retail and caterer's markets were purchased and subjected to descriptive sensory evaluation and physico-chemical analyses (including dry matter content, alcohol insoluble solids content, starch content, °Brix, residual peroxidase activity, size sorting, hardness using texture analysis and colour measurements) to assess and explain product quality. The sensory quality of frozen green peas, particularly texture properties, were well explained using physico-chemical methods of analysis notably alcohol insoluble solids, starch content, hardness and °Brix. Generally, retail class peas were of superior sensory quality to caterer's class peas although one caterer's brand was comparable to the retail brands. Retail class peas were sweeter, smaller, greener, more moist and more tender than the caterer's peas. Retail class peas also had higher °Brix, a(*) , hue and chroma values; lower starch, alcohol insoluble solids, dry matter content and hardness measured. The sensory quality of frozen green peas can be partially predicted by measuring physico-chemical parameters particularly °Brix and to a lesser extent hardness by texture analyser, alcohol insoluble solids, dry matter and starch content. © 2013 Society of Chemical Industry.

Chemical analysis and base-promoted hydrolysis of locally ...

African Journals Online (AJOL)

Abstract. The study was on the chemical analysis and base- promoted hydrolysis of extracted shea nut fat. The local method of extraction of the shea nut oil was employed in comparison with literature report. A simple cold-process alkali hydrolysis of the shea nut oil was used in producing the soap. The chemical analysis of ...

Calibrating Detailed Chemical Analysis of M dwarfs

Science.gov (United States)

Veyette, Mark; Muirhead, Philip Steven; Mann, Andrew; Brewer, John; Allard, France; Homeier, Derek

2018-01-01

The ability to perform detailed chemical analysis of Sun-like F-, G-, and K-type stars is a powerful tool with many applications including studying the chemical evolution of the Galaxy, assessing membership in stellar kinematic groups, and constraining planet formation theories. Unfortunately, complications in modeling cooler stellar atmospheres has hindered similar analysis of M-dwarf stars. Large surveys of FGK abundances play an important role in developing methods to measure the compositions of M dwarfs by providing benchmark FGK stars that have widely-separated M dwarf companions. These systems allow us to empirically calibrate metallicity-sensitive features in M dwarf spectra. However, current methods to measure metallicity in M dwarfs from moderate-resolution spectra are limited to measuring overall metallicity and largely rely on astrophysical abundance correlations in stellar populations. In this talk, I will discuss how large, homogeneous catalogs of precise FGK abundances are crucial to advancing chemical analysis of M dwarfs beyond overall metallicity to direct measurements of individual elemental abundances. I will present a new method to analyze high-resolution, NIR spectra of M dwarfs that employs an empirical calibration of synthetic M dwarf spectra to infer effective temperature, Fe abundance, and Ti abundance. This work is a step toward detailed chemical analysis of M dwarfs at a similar precision achieved for FGK stars.

Chemical analysis report 2014

International Nuclear Information System (INIS)

Elbouzidi, Saliha; Elyahyaoui, Adil; Ghassan, Acil; Marah, Hamid

2014-01-01

This report highlights the results of chemical analyzes related to Major elements, traces and heavy metals carried out at the CNESTEN DASTE in Rabat (Morocco), on behalf of Senegal. These analyzes cover 120 samples. The report presents the analytical techniques used (parameters and methods), a legend and the results tables.

Human Metabolism and Interactions of Deployment-Related Chemicals

National Research Council Canada - National Science Library

Hodgson, Ernest; Brimfield, Alan A; Goldstein, Joyce E; Rose, Randy L; Wallace, Andrew D

2008-01-01

.... The metabolism of chlorpyrifos, DEET, permethrin, pyridostigmine bromide, sulfur mustard, naphthalene and nonane as well as a number of their metabolites and related chemicals was investigated...

Human Metabolism and Interactions of Deployment-Related Chemicals

National Research Council Canada - National Science Library

Hodgson, Ernest

2003-01-01

This study examines the human-metabolism and metabolic interactions of a subset of deployment-related chemicals, including chlorpyrifos, DEET, permethrin, pyridostigmine bromide, and sulfur mustard metabolites...

Surface characterization and chemical analysis of bamboo substrates pretreated by alkali hydrogen peroxide.

Science.gov (United States)

Song, Xueping; Jiang, Yan; Rong, Xianjian; Wei, Wei; Wang, Shuangfei; Nie, Shuangxi

2016-09-01

The surface characterization and chemical analysis of bamboo substrates by alkali hydrogen peroxide pretreatment (AHPP) were investigated in this study. The results tended to manifest that AHPP prior to enzymatic and chemical treatment was potential for improving accessibility and reactivity of bamboo substrates. The inorganic components, organic solvent extractives and acid-soluble lignin were effectively removed by AHPP. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface of bamboo chips had less lignin but more carbohydrate after pre-treatment. Fiber surfaces became etched and collapsed, and more pores and debris on the substrate surface were observed with Scanning Electron Microscopy (SEM). Brenauer-Emmett-Teller (BET) results showed that both of pore volume and surface area were increased after AHPP. Although XRD analysis showed that AHPP led to relatively higher crystallinity, pre-extraction could overall enhance the accessibility of enzymes and chemicals into the bamboo structure. Copyright © 2016. Published by Elsevier Ltd.

Chemical analysis by nuclear methods. v. 2

International Nuclear Information System (INIS)

Alfassi, Z.B.

1998-01-01

'Chemical analysis by Nuclear Methods' is an effort of some renowned authors in field of nuclear chemistry and radiochemistry which is compiled by Alfassi, Z.B. and translated into Farsi version collected in two volumes. The second volume consists of the following chapters: Detecting ion recoil scattering and elastic scattering are dealt in the eleventh chapter, the twelfth chapter is devoted to nuclear reaction analysis using charged particles, X-ray emission is discussed at thirteenth chapter, the fourteenth chapter is about using ion microprobes, X-ray fluorescence analysis is discussed in the fifteenth chapter, alpha, beta and gamma ray scattering in chemical analysis are dealt in chapter sixteen, Moessbauer spectroscopy and positron annihilation are discussed in chapter seventeen and eighteen; The last two chapters are about isotope dilution analysis and radioimmunoassay

Land use-related chemical composition of street sediments in Beijing.

Science.gov (United States)

Kuang, Cen; Neumann, Thomas; Norra, Stefan; Stüben, Doris

2004-01-01

deserts. This is supported by mineral phase analysis, which showed a clear imprint of material in road dusts coming from the West-China deserts. Our results clearly show that the chemical composition of urban road dusts can be used to identify distinct sources responsible for their contamination. The study demonstrates that the chemistry of road dusts is an important monitor to assess the contamination in the urban environment. Chemical composition of street sediments in Beijing comprises the information of different sources of atmospheric particles. This study is only a small contribution to the understanding of substance fluxes related to Beijing's dust. More effort is required to assess Beijing's dust fluxes, since the dust harms the living quality of the inhabitants. Especially the measurable superimposing of long scale transported dust from dry regions with the anthropogenic polluted urban dust makes investigations of Beijing's dust scientifically valuable.

Symmetry Relations in Chemical Kinetics Arising from Microscopic Reversibility

Science.gov (United States)

Adib, Artur B.

2006-01-01

It is shown that the kinetics of time-reversible chemical reactions having the same equilibrium constant but different initial conditions are closely related to one another by a directly measurable symmetry relation analogous to chemical detailed balance. In contrast to detailed balance, however, this relation does not require knowledge of the elementary steps that underlie the reaction, and remains valid in regimes where the concept of rate constants is ill defined, such as at very short times and in the presence of low activation barriers. Numerical simulations of a model of isomerization in solution are provided to illustrate the symmetry under such conditions, and potential applications in protein folding or unfolding are pointed out.

Scanning angle Raman spectroscopy: Investigation of Raman scatter enhancement techniques for chemical analysis

Energy Technology Data Exchange (ETDEWEB)

Meyer, Matthew W. [Iowa State Univ., Ames, IA (United States)

2013-01-01

This thesis outlines advancements in Raman scatter enhancement techniques by applying evanescent fields, standing-waves (waveguides) and surface enhancements to increase the generated mean square electric field, which is directly related to the intensity of Raman scattering. These techniques are accomplished by employing scanning angle Raman spectroscopy and surface enhanced Raman spectroscopy. A 1064 nm multichannel Raman spectrometer is discussed for chemical analysis of lignin. Extending dispersive multichannel Raman spectroscopy to 1064 nm reduces the fluorescence interference that can mask the weaker Raman scattering. Overall, these techniques help address the major obstacles in Raman spectroscopy for chemical analysis, which include the inherently weak Raman cross section and susceptibility to fluorescence interference.

Comparison of descriptive sensory analysis and chemical analysis for oxidative changes in milk

DEFF Research Database (Denmark)

Hedegaard, R V; Kristensen, D; Nielsen, Jacob Holm

2006-01-01

and lipolytic changes occurring in the milk during chill storage for 4 d. Sensory analysis and chemical analysis showed high correlation between the typical descriptors for oxidation such as cardboard, metallic taste, and boiled milk and specific chemical markers for oxidation such as hexanal. Notably, primary......Oxidation in 3 types of bovine milk with different fatty acid profiles obtained through manipulation of feed was evaluated by analytical methods quantifying the content of potential antioxidants, the tendency of formation of free radicals, and the accumulation of primary and secondary oxidation...... products. The milk samples were evaluated in parallel by descriptive sensory analysis by a trained panel, and the correlation between the chemical analysis and the descriptive sensory analysis was evaluated. The fatty acid composition of the 3 types of milk was found to influence the oxidative...

Comparison of descriptive sensory analysis and chemical analysis for oxidative changes in milk

DEFF Research Database (Denmark)

Hedegaard, Rikke Susanne Vingborg; Kristensen, D.; Nielsen, J. H.

2006-01-01

products. The milk samples were evaluated in parallel by descriptive sensory analysis by a trained panel, and the correlation between the chemical analysis and the descriptive sensory analysis was evaluated. The fatty acid composition of the 3 types of milk was found to influence the oxidative...... and lipolytic changes occurring in the milk during chill storage for 4 d. Sensory analysis and chemical analysis showed high correlation between the typical descriptors for oxidation such as cardboard, metallic taste, and boiled milk and specific chemical markers for oxidation such as hexanal. Notably, primary...... oxidation products (i.e., lipid hydroperoxides) and even the tendency of formation of radicals as measured by electron spin resonance spectroscopy were also highly correlated to the sensory descriptors for oxidation. Electron spin resonance spectroscopy should accordingly be further explored as a routine...

Direct chemical analysis of frozen ice cores by UV-laser ablation ICPMS

DEFF Research Database (Denmark)

Müller, Wolfgang; Shelley, J. Michael G.; Rasmussen, Sune Olander

2011-01-01

Cryo-cell UV-LA-ICPMS is a new technique for direct chemical analysis of frozen ice cores at high spatial resolution (dust records and annual layer signatures at unprecedented spatial/time resolution. Uniquely......, the location of cation impurities relative to grain boundaries in recrystallized ice can be assessed....

Radiological and related Chemical Health Impact Assessments of ...

African Journals Online (AJOL)

Ogunjo Samuel

concentrations obtained and the relation from United State Environmental Protection Agency (USEPA), the chemical ... radioactive elements uranium-238 and thorium-232 decay .... Using Equation 2, the elemental concentrations in pipe.

Chemical and thermal analysis for characterisation of building materials

International Nuclear Information System (INIS)

Kumar, S.C.; Sudersanan, M.; Ravindran, P.V.; Kalekar, B.B.; Mathur, P.K.

2000-01-01

Cement and other construction materials are extensively used for the construction of shielding materials for nuclear and high energy radiations. The design and optimum utilisation of such materials need an accurate analysis of their chemical composition. The moisture content and presence of bound water and other volatile materials are also important. The use of thermal analysis supplements the data obtained by chemical analysis and enables a distinction of moisture and chemically bound water. It also enables an identification of the process leading to the loss on ignition. The work carried out on the analysis of sand, cement and other aggregate materials used for the preparation of concrete is described in the paper. (author)

A novel approach: chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenicity.

Science.gov (United States)

Benigni, Romualdo; Bossa, Cecilia; Richard, Ann M; Yang, Chihae

2008-01-01

Mutagenicity and carcinogenicity databases are crucial resources for toxicologists and regulators involved in chemicals risk assessment. Until recently, existing public toxicity databases have been constructed primarily as "look-up-tables" of existing data, and most often did not contain chemical structures. Concepts and technologies originated from the structure-activity relationships science have provided powerful tools to create new types of databases, where the effective linkage of chemical toxicity with chemical structure can facilitate and greatly enhance data gathering and hypothesis generation, by permitting: a) exploration across both chemical and biological domains; and b) structure-searchability through the data. This paper reviews the main public databases, together with the progress in the field of chemical relational databases, and presents the ISSCAN database on experimental chemical carcinogens.

Theoretical considerations of Flow Injection Analysis in the Absence of Chemical Reactions

DEFF Research Database (Denmark)

Andersen, Jens Enevold Thaulov

2000-01-01

The fundamental mechanism of flow injection analysis (FIA) is assumed to be simple dissusion and the response of the detector is included in a model description that provide information about the shape of the FIA peak in terms of, basically, five parameters. Two of the five parameters are associa...... that any deviation from the features of the present model and the results of a tentative chemical reaction with one of the test compounds, is related to chemical kinetics.......The fundamental mechanism of flow injection analysis (FIA) is assumed to be simple dissusion and the response of the detector is included in a model description that provide information about the shape of the FIA peak in terms of, basically, five parameters. Two of the five parameters...

TSCA Chemical Data Reporting Fact Sheet: Reporting Manufactured Chemical Substances from Metal Mining and Related Activities

Science.gov (United States)

This fact sheet provides guidance on the Chemical Data Reporting (CDR) rule requirements related to the reporting of mined metals, intermediates, and byproducts manufactured during metal mining and related activities.

Comparative Analysis on Chemical Composition of Bentonite Clays ...

African Journals Online (AJOL)

2017-09-12

Sep 12, 2017 ... Comparative Analysis on Chemical Composition of Bentonite Clays. Obtained from Ashaka and ... versatile material for geotechnical engineering and as well as their demand for ..... A PhD thesis submitted to the Chemical ...

Chemical analysis of the Fornax Dwarf galaxy

NARCIS (Netherlands)

Letarte, Bruno

2007-01-01

This thesis is entitled “Chemical Analysis of the Fornax Dwarf Galaxy”, and it’s main goal is to determine what are the chemical elements present in the stars of this galaxy in order to try and understand it’s evolution. Galaxies are not “static” objects, they move, form stars and can interact with

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Chemical engineering of nanomaterials. Energy- and resource-saving chemical-engineering processes and problems of their intensification. Processes and apparatuses of chemical engineering, chemical cybernetics. Ecological problems of chemical engineering and related fields

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning chemical engineering of nanomaterials, energy- and resource-saving chemical-engineering processes, processes and apparatuses of chemical engineering, chemical cybernetics, ecological problems of chemical engineering and related fields. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

Handbook of Basic Tables for Chemical Analysis. Final report

International Nuclear Information System (INIS)

Bruno, T.J.; Svoronos, P.D.N.

1988-04-01

This work began as a slim booklet prepared by one of the authors (TJB) to accompany a course on chemical instrumentation presented at the National Bureau of Standards, Boulder Laboratories. The booklet contained tables on chromatography, spectroscopy, and chemical (wet) methods, and was intended to provide the students with enough basic data to design their own analytical methods and procedures. Shortly thereafter, with the co-authorship of Prof. Paris D. N. Svoronos, it was expanded into a more-extensive compilation entitled Basic Tables for Chemical Analysis, published as National Bureau of Standards Technical Note 1096. That work has now been expanded and updated into the present body of tables. Although there have been considerable changes since the first version of these tables, the aim has remained essentially the same. The authors have tried to provide a single source of information for those practicing scientists and research students who must use various aspects of chemical analysis in their work. In this respect, it is geared less toward the researcher in analytical chemistry than to those practitioners in other chemical disciplines who must have routine use of chemical analysis

Chemical analysis of reactor and commercial columbium

International Nuclear Information System (INIS)

Anon.

1981-01-01

The methods cover the chemical analysis of reactor and commercial columbium having chemical compositions within specified limits. The following analytical procedures are discussed along with apparatus, reagents, photometric practice, safety precautions, sampling, and rounding calculated values: nitrogen, by distillation (photometric) method; molybdenum and tungsten by the dithiol (photometric) method; iron by the 1,10-phenanthroline (photometric) method

Thermally emissive sensing materials for chemical spectroscopy analysis

Science.gov (United States)

Poole, Zsolt; Ohodnicki, Paul R.

2018-05-08

A sensor using thermally emissive materials for chemical spectroscopy analysis includes an emissive material, wherein the emissive material includes the thermally emissive materials which emit electromagnetic radiation, wherein the electromagnetic radiation is modified due to chemical composition in an environment; and a detector adapted to detect the electromagnetic radiation, wherein the electromagnetic radiation is indicative of the chemical interaction changes and hence chemical composition and/or chemical composition changes of the environment. The emissive material can be utilized with an optical fiber sensor, with the optical fiber sensor operating without the emissive material probed with a light source external to the material.

Molecular activation analysis for chemical species studies

International Nuclear Information System (INIS)

Chai Zhifang; Mao Xueying; Wang Yuqi; Sun Jingxin; Qian Qingfang; Hou Xiaolin; Zhang Peiqun; Chen Chunying; Feng Weiyu; Ding Wenjun; Li Xiaolin; Li Chunsheng; Dai Xiongxin

2001-01-01

The Molecular Activation Analysis (MAA) mainly refers to an activation analysis method that is able to provide information about the chemical species of elements in systems of interest, though its exact definition has remained to be assigned. Its development is strongly stimulated by the urgent need to know the chemical species of elements, because the bulk contents or concentrations are often insignificant for judging biological, environmental or geochemical effects of elements. In this paper, the features, methodology and limitation of MAA were outlined. Further, the up-to-date MAA progress made in our laboratory was introduced as well. (author)

Guidelines for terms related to chemical speciations and fractionation of elements : definitions, structural aspects, and methodological approaches (IUPAC Recommendations 2000)

NARCIS (Netherlands)

Templeton, D.M.; Ariese, F.; Cornelis, R.; Danielsson, L.G.; Muntau, H.; Leeuwen, van H.P.; Lobínski, R.

2000-01-01

This paper presents definitions of concepts related to speciation of elements, more particularly speciation analysis and chemical species. Fractionation is distinguished from speciation analysis, and a general outline of fractionation procedures is given. We propose a categorization of species

Advanced chemical analysis service for elements, radionuclides and phases

International Nuclear Information System (INIS)

Sansoni, B.

1986-01-01

A review is given on the structure, organisation and performance of the chemical analysis service of the Central Department for Chemical Analysis at the Kernforschungsanlage Juelich GmbH. The research and development programs together with the infrastructure of the Centre afford to analyse almost all stable elements of the periodical table in almost any material. The corresponding chemical analysis service has been organized according to a new modular system of analytical steps. According to this, the most complicated and, therefore, most general case of an analytical scheme for element and radionuclide analysis in any type of material can be differentiated into about 14 different steps, the modules. They are more or less independent of the special problem. The laboratory is designed and organized according to these steps. (orig./PW) [de

Practical chemical analysis of Pt and Pd based heterogeneous catalysts with hard X-ray photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Yoshikawa, H., E-mail: YOSHIKAWA.Hideki@nims.go.jp [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Matolínová, I.; Matolín, V. [Charles University in Prague, Faculty of Mathematics and Physics, V Holešovičkách 2, 18000 Prague 8 (Czech Republic)

2013-10-15

Highlights: •Hard X-ray photoelectron spectroscopy (HAXPES) enables interface analysis of catalyst. •HAXPES enables overall analysis of porous film of Pt-doped CeO{sub 2} and related catalyst. •HAXPES enables analysis of trace elements for Pd and Pt{sub 3}Ni nanoparticle catalysts. -- Abstract: Interfacial properties including configuration, porosity, chemical states, and atomic diffusion greatly affect the performance of supported heterogeneous catalysts. Hard X-ray photoelectron spectroscopy (HAXPES) can be used to analyze the interfaces of heterogeneous catalysts because of its large information depth of more than 20 nm. We use HAXPES to examine Pt-doped CeO{sub 2} and related thin film catalysts evaporated on Si, carbon, and carbon nanotube substrates, because Pt-doped CeO{sub 2} has great potential as a noble metal-based heterogeneous catalyst for fuel cells. The HAXPES measurements clarify that the dopant material, substrate material, and surface pretreatment of substrate are important parameters that affect the interfacial properties of Pt-doped CeO{sub 2} and related thin film catalysts. Another advantage of HAXPES measurement of heterogeneous catalysts is that it can be used for chemical analysis of trace elements by detecting photoelectrons from deep core levels, which have large photoionization cross-sections in the hard X-ray region. We use HAXPES for chemical analysis of trace elements in Pd nanoparticle catalysts immobilized on sulfur-terminated substrates and Pt{sub 3}Ni nanoparticle catalysts enveloped by dendrimer molecules.

Embedded Fragments from U.S. Military Personnel—Chemical Analysis and Potential Health Implications

Directory of Open Access Journals (Sweden)

José A. Centeno

2014-01-01

Full Text Available Background: The majority of modern war wounds are characterized by high-energy blast injuries containing a wide range of retained foreign materials of a metallic or composite nature. Health effects of retained fragments range from local or systemic toxicities to foreign body reactions or malignancies, and dependent on the chemical composition and corrosiveness of the fragments in vivo. Information obtained by chemical analysis of excised fragments can be used to guide clinical decisions regarding the need for fragment removal, to develop therapeutic interventions, and to better anticipate future medical problems from retained fragment related injuries. In response to this need, a new U.S Department of Defense (DoD directive has been issued requiring characterization of all removed fragments to provide a database of fragment types occurring in combat injuries. Objectives: The objective of this study is to determine the chemical composition of retained embedded fragments removed from injured military personnel, and to relate results to histological findings in tissue adjacent to fragment material. Methods: We describe an approach for the chemical analysis and characterization of retained fragments and adjacent tissues, and include case examples describing fragments containing depleted uranium (DU, tungsten (W, lead (Pb, and non-metal foreign bodies composed of natural and composite materials. Fragments obtained from four patients with penetrating blast wounds to the limbs were studied employing a wide range of chemical and microscopy techniques. Available adjacent tissues from three of the cases were histologically, microscopically, and chemically examined. The physical and compositional properties of the removed foreign material surfaces were examined with energy dispersive x-ray fluorescence spectrometry (EDXRF, scanning electron microscopy (SEM, laser ablation inductively-coupled plasma mass-spectrometry (LA-ICP-MS, and confocal laser Raman

VALIDATION GUIDELINES FOR LABORATORIES PERFORMING FORENSIC ANALYSIS OF CHEMICAL TERRORISM

Science.gov (United States)

The Scientific Working Group on Forensic Analysis of Chemical Terrorism (SWGFACT) has developed the following guidelines for laboratories engaged in the forensic analysis of chemical evidence associated with terrorism. This document provides a baseline framework and guidance for...

Applicable safety-related design and operations considerations from the oil and chemical industries

International Nuclear Information System (INIS)

Mulvihill, R.J.; Deshotels, R.L.; Master, C.A.

1987-01-01

Fluor Daniel has conducted several hazards and risk analyses on petroleum and chemical facilities. These analyses included qualitative hazards and operability (HAZOP) studies, preliminary hazards analyses, and qualitative fault-tree analysis as well as quantitative event-tree/fault-tree risk analysis. Several design-related problem areas were uncovered as a result of these analyses as well as deficiencies in operations and maintenance. Design deficiency areas include potential common-mode failures associated with redundant functions sharing a common distributed digital control (DDC) logic circuit board and failures in pressure relief systems. Many of the design weaknesses and potential operator errors discussed have a direct counterpart in nuclear fuel processing plants and nuclear power reactors. Counterparts that are discussed are common cause/common mode failures in control systems and failures in pressure relief systems. Overpressurization of piping and vessels resulting in rupture is discussed. Mitigating design features and operations procedures that have been implemented in the chemical process industry are described and their applicability to the nuclear industry is discussed

Mass spectral analysis of N-oxides of Chemical Weapons Convention related aminoethanols under electrospray ionization conditions.

Science.gov (United States)

Sridhar, L; Karthikraj, R; Murty, M R V S; Raju, N Prasada; Vairamani, M; Prabhakar, S

2011-02-28

N,N'-Dialkylaminoethanols are the hydrolyzed products or precursors of chemical warfare agents such as V-agents and nitrogen mustards, and they are prone to undergo oxidation in environmental matrices or during decontamination processes. Consequently, screening of the oxidized products of aminoethanols in aqueous samples is an important task in the verification of chemical weapons convention-related chemicals. Here we report the successful characterization of the N-oxides of N,N'-dialkylaminoethanols, alkyl diethanolamines, and triethanolamine using positive ion electrospray ionization mass spectrometry. The collision-induced dissociation (CID) spectra of the [M+H](+) and [M+Na](+) ions show diagnostic product ions that enable the unambiguous identification of the studied N-oxides, including those of isomeric compounds. The proposed fragmentation pathways are supported by high-resolution mass spectrometry data and product/precursor ion spectra. The CID spectra of [M+H](+) ions included [MH-CH(4)O(2)](+) as the key product ion, in addition to a distinctive alkene loss that allowed us to recognize the alkyl group attached to the nitrogen. The [M+Na](+) ions show characteristic product ions due to the loss of groups (R) attached to nitrogen either as a radical (R) or as a molecule [R+H or (R-H)] after hydrogen migration. Copyright © 2011 John Wiley & Sons, Ltd.

Probabilistic risk analysis in chemical engineering

International Nuclear Information System (INIS)

Schmalz, F.

1991-01-01

In risk analysis in the chemical industry, recognising potential risks is considered more important than assessing their quantitative extent. Even in assessing risks, emphasis is not on the probability involved but on the possible extent. Qualitative assessment has proved valuable here. Probabilistic methods are used in individual cases where the wide implications make it essential to be able to assess the reliability of safety precautions. In this case, assessment therefore centres on the reliability of technical systems and not on the extent of a chemical risk. 7 figs

All-Russia conference on chemical analysis of substances and materials. Abstracts of reports

International Nuclear Information System (INIS)

2000-01-01

Collection contains abstracts of reports on chemical analysis of foods, drugs, environmental materials. Methods of chemical analysis used in such regions as chemical control in agriculture, criminology, art and archaeology, biotechnology, geology, chemistry and petrochemistry, metallurgy, metrology are presented. Theoretical, methodological and applied aspects of chemical analysis are considered [ru

Chemical analysis of carbonates and carbonate rocks by atomic absorption analysis

Energy Technology Data Exchange (ETDEWEB)

Tardon, S

1981-01-01

Evaluates methods of determining chemical composition of rocks surrounding black coal seams. Carbonate rock samples were collected in the Ostrava-Karvina coal mines. Sampling methods are described. Determination of the following elements and compounds in carbonate rocks is discussed: calcium, magnesium, iron, manganese, barium, silicon, aluminium, titanium, sodium, potassium, sulfur trioxide, phosphorus pentoxide, water and carbon dioxide. Proportion of compounds insoluble in water in the investigated rocks is also determined. Most of the elements are determined by means of atomic absorption analysis. Phosphorus is also determined by atomic absorption analysis. Other compounds are determined gravimetrically. The described procedure permits weight of a rock sample to be reduced to 0.5 g without reducing analysis accuracy. The results of determining carbonate rock components by X-ray analysis and by chemical analysis are compared. Equipment used for atomic absorption analysis is characterized (the 503 Perkin-Elmer and the CF-4 Optica-Milano spectrophotometers). The analyzed method for determining carbonate rock permits more accurate classification of rocks surrounding coal seams and rock impurities in run-of-mine coal. (22 refs.) (In Czech)

The direct measurement of the heteronuclear chemical shifts relative to tetramethylsilane

International Nuclear Information System (INIS)

Moritz, A.G.

1988-12-01

The measurement of heteronuclear chemical shifts using absolute frequencies of the heteronucleus and the 1 H resonance of tetramethylsilane has been examined. This method avoids the problems associated with external standards and gives results which can be obtained quickly and with high precision. The method has a number of advantages in the accurate measurement of chemical shifts, as for example 31 P in chemical warfare agents and related chemicals and allows multinuclear data to be obtained without dynamic range or potential interference problems. 15 refs., 4 tabs

Chemical equilibrium relations used in the fireball model of relativistic heavy ion reactions

International Nuclear Information System (INIS)

Gupta, S.D.

1978-01-01

The fireball model of relativistic heavy-ion collision uses chemical equilibrium relations to predict cross sections for particle and composite productions. These relations are examined in a canonical ensemble model where chemical equilibrium is not explicitly invoked

Analysis of abused drugs by selected ion monitoring: quantitative comparison of electron impact and chemical ionization

International Nuclear Information System (INIS)

Foltz, R.L.; Knowlton, D.A.; Lin, D.C.K.; Fentiman, A.F. Jr.

1975-01-01

A comparison was made of the relative sensitivities of electron impact and chemical ionization when used for selected ion monitoring analysis of commonly abused drugs. For most of the drugs examined chemical ionization using ammonia as the reactant gas gave the largest single m/e ion current response per unit weight of sample. However, if maximum sensitivity is desired it is important to evaluate electron impact and chemical ionization with respect to both maximum response and degree of interference from background and endogenous materials

Chemical detection, identification, and analysis system

International Nuclear Information System (INIS)

Morel, R.S.; Gonzales, D.; Mniszewski, S.

1990-01-01

The chemical detection, identification, and analysis system (CDIAS) has three major goals. The first is to display safety information regarding chemical environment before personnel entry. The second is to archive personnel exposure to the environment. Third, the system assists users in identifying the stage of a chemical process in progress and suggests safety precautions associated with that process. In addition to these major goals, the system must be sufficiently compact to provide transportability, and it must be extremely simple to use in order to keep user interaction at a minimum. The system created to meet these goals includes several pieces of hardware and the integration of four software packages. The hardware consists of a low-oxygen, carbon monoxide, explosives, and hydrogen sulfide detector; an ion mobility spectrometer for airborne vapor detection; and a COMPAQ 386/20 portable computer. The software modules are a graphics kernel, an expert system shell, a data-base management system, and an interface management system. A supervisory module developed using the interface management system coordinates the interaction of the other software components. The system determines the safety of the environment using conventional data acquisition and analysis techniques. The low-oxygen, carbon monoxide, hydrogen sulfide, explosives, and vapor detectors are monitored for hazardous levels, and warnings are issued accordingly

Microarray technology for major chemical contaminants analysis in food: current status and prospects.

Science.gov (United States)

Zhang, Zhaowei; Li, Peiwu; Hu, Xiaofeng; Zhang, Qi; Ding, Xiaoxia; Zhang, Wen

2012-01-01

Chemical contaminants in food have caused serious health issues in both humans and animals. Microarray technology is an advanced technique suitable for the analysis of chemical contaminates. In particular, immuno-microarray approach is one of the most promising methods for chemical contaminants analysis. The use of microarrays for the analysis of chemical contaminants is the subject of this review. Fabrication strategies and detection methods for chemical contaminants are discussed in detail. Application to the analysis of mycotoxins, biotoxins, pesticide residues, and pharmaceutical residues is also described. Finally, future challenges and opportunities are discussed.

Microfabricated Gas Phase Chemical Analysis Systems

International Nuclear Information System (INIS)

FRYE-MASON, GREGORY CHARLES; HELLER, EDWIN J.; HIETALA, VINCENT M.; KOTTENSTETTE, RICHARD; LEWIS, PATRICK R.; MANGINELL, RONALD P.; MATZKE, CAROLYN M.; WONG, CHUNGNIN C.

1999-01-01

A portable, autonomous, hand-held chemical laboratory ((micro)ChemLab(trademark)) is being developed for trace detection (ppb) of chemical warfare (CW) agents and explosives in real-world environments containing high concentrations of interfering compounds. Microfabrication is utilized to provide miniature, low-power components that are characterized by rapid, sensitive and selective response. Sensitivity and selectivity are enhanced using two parallel analysis channels, each containing the sequential connection of a front-end sample collector/concentrator, a gas chromatographic (GC) separator, and a surface acoustic wave (SAW) detector. Component design and fabrication and system performance are described

Physico-Chemical Analysis and Sensory Evaluation of Bread

African Journals Online (AJOL)

Shuaibu et al.

Physico-Chemical Analysis and Sensory Evaluation of Bread Produced Using ... analysis of the bread samples revealed that the moisture content ..... 72. Jarup, L. ,2003. Hazards of heavy metal contamination. Br Med. Bull; 68, pp.167-82.

Rapid chemical analysis of allanite

International Nuclear Information System (INIS)

Nishiyama, Goro; Hayashi, Hiroshi

1981-01-01

Rapid chemical analysis of allanite was studied by atomic absorption spectrophotometry. Powdered sample was fused with mixture of sodium carbonate anhydrous and borax (4 : 1 weight) in platinum crucible and sample solution was prepared. SiO 2 , Fe 2 O 3 , Al 2 O 3 , MnO and rare earth metals were determined by atomic absorption spectrophotometry, CaO, MgO and Ce 2 O 3 by titration, ThO 2 by colorimetry, and La 2 O 3 by flame photometry respectively. For sample solution treated with hydrofluoric acid and sulfuric acid. Na 2 O and K 2 O were determined by atomic absorption spectrophotometry, TiO 2 and P 2 O 5 by colorimetry. Chemical analyses for four samples were carried out and gave consistent results. (author)

Chemical composition dispersion in bi-metallic nanoparticles: semi-automated analysis using HAADF-STEM

International Nuclear Information System (INIS)

Epicier, T.; Sato, K.; Tournus, F.; Konno, T.

2012-01-01

We present a method using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) to determine the chemical composition of bi-metallic nanoparticles. This method, which can be applied in a semi-automated way, allows large scale analysis with a statistical number of particles (several hundreds) in a short time. Once a calibration curve has been obtained, e.g., using energy-dispersive X-ray spectroscopy (EDX) measurements on a few particles, the HAADF integrated intensity of each particle can indeed be directly related to its chemical composition. After a theoretical description, this approach is applied to the case of iron–palladium nanoparticles (expected to be nearly stoichiometric) with a mean size of 8.3 nm. It will be shown that an accurate chemical composition histogram is obtained, i.e., the Fe content has been determined to be 49.0 at.% with a dispersion of 10.4 %. HAADF-STEM analysis represents a powerful alternative to fastidious single particle EDX measurements, for the compositional dispersion in alloy nanoparticles.

QUALITY ASSURANCE GUIDELINES FOR LABORATORIES PERFORMING FORENSIC ANALYSIS OF CHEMICAL TERRORISM

Science.gov (United States)

The Scientific Working Group on Forensic Analysis of Chemical Terrorism (SWGFACT) has developed the following quality assurance guidelines to provide laboratories engaged in forensic analysis of chemical evidence associated with terrorism a framework to implement a quality assura...

Chromatography and mass spectrometry of chemical warfare agents, toxins and related compounds: state of the art and future prospects

NARCIS (Netherlands)

Kientz, C.E.

1998-01-01

Methods for the identification of chemical warfare agents, toxins, bioregulators and related products are frequently reported in literature. These methods are often based on instrumental analysis using chromatography (gas and liquid) and mass spectrometry. Here, these instrumental techniques are

Optical MEMS for chemical analysis and biomedicine

CERN Document Server

Jiang, Hongrui

2016-01-01

This book describes the current state of optical MEMS in chemical and biomedical analysis and brings together current trends and highlights topics representing the most exciting progress in recent years in the field.

Bioremediation performance as related to chemical availability

International Nuclear Information System (INIS)

Loehr, R.; Olivera, F.; Webster, M.

1995-01-01

Two side-by-side field prepared bed land treatment units (PBLTU) were evaluated. One PBLTU (H unit) treated soils containing chemicals from a diesel spill that had occurred about 12 months earlier. The other PBLTU (G unit) treated soils containing crude oil that had been in the soil for many decades. Laboratory slurry treatability studies and indicated that the hydrocarbons in both soils could be bioremediated if adequate nutrients were provided. The PBLTU had nutrients applied periodically, and were operated in a manner consistent with good operational guidelines. PBLTU performance was based on reductions in mobility, toxicity, and chemical concentration. Spatially random soil samples were taken from the two field PBLTU monthly and analyzed for the above parameters as well as nutrients and pH. Periodically, microbial numbers and type in the soil samples also were evaluated. Performance was monitored over an 18 month period. In the H unit, no detectable TPH reductions occurred although petroleum hydrocarbon degrading microorganisms existed in the soil and other conditions were appropriate for bioremediation. GC/MS analyses indicated reduction in some specific hydrocarbons. The H unit soils had low chemical mobility as determined by leachability tests (TCLP, SPLP) and had low relative toxicity as determined by Microtox trademark

Nonradiological chemical pathway analysis and identification of chemicals of concern for environmental monitoring at the Hanford Site

International Nuclear Information System (INIS)

Blanton, M.L.; Cooper, A.T.; Castleton, K.J.

1995-11-01

Pacific Northwest's Surface Environmental Surveillance Project (SESP) is an ongoing effort tot design, review, and conducted monitoring on and off the Hanford site. Chemicals of concern that were selected are listed. Using modeled exposure pathways, the offsite cancer incidence and hazard quotient were calculated and a retrospective pathway analysis performed to estimate what onsite concentrations would be required in the soil for each chemical of concern and other detected chemicals that would be required to obtain an estimated offsite human-health risk of 1.0E-06 cancer incidence or 1.0 hazard quotient. This analysis indicates that current nonradiological chemical contamination occurring on the site does not pose a significant offsite human-health risk; the highest cancer incidence to the offsite maximally exposed individual was from arsenic (1.76E-10); the highest hazard quotient was chromium(VI) (1.48E-04). The most sensitive pathways of exposure were surfacewater and aquatic food consumption. Combined total offsite excess cancer incidence was 2.09E-10 and estimated hazard quotient was 2.40E-04. Of the 17 identified chemicals of concern, the SESP does not currently (routinely) monitor arsenic, benzo(a)pyrene, bis(2- ethylhexyl)phthalate (BEHP), and chrysene. Only 3 of the chemicals of concern (arsenic, BEHP, chloroform) could actually occur in onsite soil at concern high enough to cause a 1.0E-06 excess cancer incidence or a 1.0 hazard index for a given offsite exposure pathway. During the retrospective analysis, 20 other chemicals were also evaluated; only vinyl chloride and thallium could reach targeted offsite risk values

Computational Chemical Synthesis Analysis and Pathway Design

Directory of Open Access Journals (Sweden)

Fan Feng

2018-06-01

Full Text Available With the idea of retrosynthetic analysis, which was raised in the 1960s, chemical synthesis analysis and pathway design have been transformed from a complex problem to a regular process of structural simplification. This review aims to summarize the developments of computer-assisted synthetic analysis and design in recent years, and how machine-learning algorithms contributed to them. LHASA system started the pioneering work of designing semi-empirical reaction modes in computers, with its following rule-based and network-searching work not only expanding the databases, but also building new approaches to indicating reaction rules. Programs like ARChem Route Designer replaced hand-coded reaction modes with automatically-extracted rules, and programs like Chematica changed traditional designing into network searching. Afterward, with the help of machine learning, two-step models which combine reaction rules and statistical methods became the main stream. Recently, fully data-driven learning methods using deep neural networks which even do not require any prior knowledge, were applied into this field. Up to now, however, these methods still cannot replace experienced human organic chemists due to their relatively low accuracies. Future new algorithms with the aid of powerful computational hardware will make this topic promising and with good prospects.

Federal agencies active in chemical industry-related research and development

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-09-29

The Energy Policy Act of 1992 calls for a program to further the commercialization of renewable energy and energy efficient technologies for the industrial sector.. The primary objective of the Office of Industrial Technologies Chemical Industry Team is to work in partnership with the US chemical industry to maximize economic, energy, and environmental benefits through research and development of innovative technologies. This document was developed to inventory organizations within the federal government on current chemical industry-related research and development. While an amount of funding or number of projects specifically relating to chemical industry research and development was not defined in all organizations, identified were about 60 distinct organizations representing 7 cabinet-level departments and 4 independent agencies, with research efforts exceeding $3.5 billion in fiscal year 1995. Effort were found to range from less than $500 thousand per year at the Departments of Agriculture and the Interior to over $100 million per year at the Departments of Commerce, Defense, Energy, and Health and Human Services and the National Aeronautics and Space Administration. The total number of projects in these programs exceeded 10,000. This document is complete to the extent that agencies volunteered information. Additions, corrections, and changes are encouraged and will be incorporated in future revisions.

Chemical analysis of cyanide in cyanidation process: review of methods

International Nuclear Information System (INIS)

Nova-Alonso, F.; Elorza-Rodriguez, E.; Uribe-Salas, A.; Perez-Garibay, R.

2007-01-01

Cyanidation, the world wide method for precious metals recovery, the chemical analysis of cyanide, is a very important, but complex operation. Cyanide can be present forming different species, each of them with different stability, toxicity, analysis method and elimination technique. For cyanide analysis, there exists a wide selection of analytical methods but most of them present difficulties because of the interference of species present in the solution. This paper presents the different available methods for chemical analysis of cyanide: titration, specific electrode and distillation, giving special emphasis on the interferences problem, with the aim of helping in the interpretation of the results. (Author)

Application of quantum dots as analytical tools in automated chemical analysis: A review

International Nuclear Information System (INIS)

Frigerio, Christian; Ribeiro, David S.M.; Rodrigues, S. Sofia M.; Abreu, Vera L.R.G.; Barbosa, João A.C.; Prior, João A.V.; Marques, Karine L.; Santos, João L.M.

2012-01-01

Highlights: ► Review on quantum dots application in automated chemical analysis. ► Automation by using flow-based techniques. ► Quantum dots in liquid chromatography and capillary electrophoresis. ► Detection by fluorescence and chemiluminescence. ► Electrochemiluminescence and radical generation. - Abstract: Colloidal semiconductor nanocrystals or quantum dots (QDs) are one of the most relevant developments in the fast-growing world of nanotechnology. Initially proposed as luminescent biological labels, they are finding new important fields of application in analytical chemistry, where their photoluminescent properties have been exploited in environmental monitoring, pharmaceutical and clinical analysis and food quality control. Despite the enormous variety of applications that have been developed, the automation of QDs-based analytical methodologies by resorting to automation tools such as continuous flow analysis and related techniques, which would allow to take advantage of particular features of the nanocrystals such as the versatile surface chemistry and ligand binding ability, the aptitude to generate reactive species, the possibility of encapsulation in different materials while retaining native luminescence providing the means for the implementation of renewable chemosensors or even the utilisation of more drastic and even stability impairing reaction conditions, is hitherto very limited. In this review, we provide insights into the analytical potential of quantum dots focusing on prospects of their utilisation in automated flow-based and flow-related approaches and the future outlook of QDs applications in chemical analysis.

Continuous-flow centrifugation to collect suspended sediment for chemical analysis

Science.gov (United States)

Conn, Kathleen E.; Dinicola, Richard S.; Black, Robert W.; Cox, Stephen E.; Sheibley, Richard W.; Foreman, James R.; Senter, Craig A.; Peterson, Norman T.

2016-12-22

Recent advances in suspended-sediment monitoring tools and surrogate technologies have greatly improved the ability to quantify suspended-sediment concentrations and to estimate daily, seasonal, and annual suspended-sediment fluxes from rivers to coastal waters. However, little is known about the chemical composition of suspended sediment, and how it may vary spatially between water bodies and temporally within a single system owing to climate, seasonality, land use, and other natural and anthropogenic drivers. Many water-quality contaminants, such as organic and inorganic chemicals, nutrients, and pathogens, preferentially partition in sediment rather than water. Suspended sediment-bound chemical concentrations may be undetected during analysis of unfiltered water samples, owing to small water sample volumes and analytical limitations. Quantification of suspended sediment‑bound chemical concentrations is needed to improve estimates of total chemical concentrations, chemical fluxes, and exposure levels of aquatic organisms and humans in receiving environments. Despite these needs, few studies or monitoring programs measure the chemical composition of suspended sediment, largely owing to the difficulty in consistently obtaining samples of sufficient quality and quantity for laboratory analysis.A field protocol is described here utilizing continuous‑flow centrifugation for the collection of suspended sediment for chemical analysis. The centrifuge used for development of this method is small, lightweight, and portable for the field applications described in this protocol. Project scoping considerations, deployment of equipment and system layout options, and results from various field and laboratory quality control experiments are described. The testing confirmed the applicability of the protocol for the determination of many inorganic and organic chemicals sorbed on suspended sediment, including metals, pesticides, polycyclic aromatic hydrocarbons, and

Chemical analysis by nuclear techniques

Energy Technology Data Exchange (ETDEWEB)

Sohn, S. C.; Kim, W. H.; Park, Y. J.; Song, B. C.; Jeon, Y. S.; Jee, K. Y.; Pyo, H. Y

2002-01-01

This state art report consists of four parts, production of micro-particles, analysis of boron, alpha tracking method and development of neutron induced prompt gamma ray spectroscopy (NIPS) system. The various methods for the production of micro-paticles such as mechanical method, electrolysis method, chemical method, spray method were described in the first part. The second part contains sample treatment, separation and concentration, analytical method, and application of boron analysis. The third part contains characteristics of alpha track, track dectectors, pretreatment of sample, neutron irradiation, etching conditions for various detectors, observation of track on the detector, etc. The last part contains basic theory, neutron source, collimator, neutron shields, calibration of NIPS, and application of NIPS system.

Chemical analysis by nuclear techniques

International Nuclear Information System (INIS)

Sohn, S. C.; Kim, W. H.; Park, Y. J.; Park, Y. J.; Song, B. C.; Jeon, Y. S.; Jee, K. Y.; Pyo, H. Y.

2002-01-01

This state art report consists of four parts, production of micro-particles, analysis of boron, alpha tracking method and development of neutron induced prompt gamma ray spectroscopy (NIPS) system. The various methods for the production of micro-paticles such as mechanical method, electrolysis method, chemical method, spray method were described in the first part. The second part contains sample treatment, separation and concentration, analytical method, and application of boron analysis. The third part contains characteristics of alpha track, track dectectors, pretreatment of sample, neutron irradiation, etching conditions for various detectors, observation of track on the detector, etc. The last part contains basic theory, neutron source, collimator, neutron shields, calibration of NIPS, and application of NIPS system

Positron annihilation spectroscopy for chemical analysis (PASCA). Chapter 9

International Nuclear Information System (INIS)

Cheng, K.L.; Jean, Y.C.

1988-01-01

This chapter gives an up to date overview of positron annihilation spectroscopy for chemical analysis (PASCA). As an in situ technique PASCA is especially suitable for studying processes occurring at surfaces. The in situ characteristics of PASCA are treated. The principes of positron annihilation life time spectroscopy (PAL) are discussed and some important analytical applications such as, in determining of total surface areas and cavity volumes in chemical reactions, in the study of chemisorption and catalytic reactions on porous surfaces, in the analysis of bulk materials, in determining molecular association constants in biological systems, in proton and neutron activation analysis, in thin layer chromatography and in tracer technology. 28 refs.; 15 figs.; 8 tabs

Integrated polymer waveguides for absorbance detection in chemical analysis systems

DEFF Research Database (Denmark)

Mogensen, Klaus Bo; El-Ali, Jamil; Wolff, Anders

2003-01-01

A chemical analysis system for absorbance detection with integrated polymer waveguides is reported for the first time. The fabrication procedure relies on structuring of a single layer of the photoresist SU-8, so both the microfluidic channel network and the optical components, which include planar....... The emphasis of this paper is on the signal-to-noise ratio of the detection and its relation to the sensitivity. Two absorbance cells with an optical path length of 100 μm and 1000 μm were characterized and compared in terms of sensitivity, limit of detection and effective path length for measurements...

Analysis of zirconium and nickel based alloys and zirconium oxides by relative and internal monostandard neutron activation analysis methods

International Nuclear Information System (INIS)

Shinde, Amol D.; Acharya, Raghunath; Reddy, Annareddy V. R.

2017-01-01

The chemical characterization of metallic alloys and oxides is conventionally carried out by wet chemical analytical methods and/or instrumental methods. Instrumental neutron activation analysis (INAA) is capable of analyzing samples nondestructively. As a part of a chemical quality control exercise, Zircaloys 2 and 4, nimonic alloy, and zirconium oxide samples were analyzed by two INAA methods. The samples of alloys and oxides were also analyzed by inductively coupled plasma optical emission spectroscopy (ICP-OES) and direct current Arc OES methods, respectively, for quality assurance purposes. The samples are important in various fields including nuclear technology. Samples were neutron irradiated using nuclear reactors, and the radioactive assay was carried out using high-resolution gamma-ray spectrometry. Major to trace mass fractions were determined using both relative and internal monostandard (IM) NAA methods as well as OES methods. In the case of alloys, compositional analyses as well as concentrations of some trace elements were determined, whereas in the case of zirconium oxides, six trace elements were determined. For method validation, British Chemical Standard (BCS)-certified reference material 310/1 (a nimonic alloy) was analyzed using both relative INAA and IM-NAA methods. The results showed that IM-NAA and relative INAA methods can be used for nondestructive chemical quality control of alloys and oxide samples

Analysis of zirconium and nickel based alloys and zirconium oxides by relative and internal monostandard neutron activation analysis methods

Energy Technology Data Exchange (ETDEWEB)

Shinde, Amol D.; Acharya, Raghunath; Reddy, Annareddy V. R. [Bhabha Atomic Research Centre, Mumbai (India)

2017-04-15

The chemical characterization of metallic alloys and oxides is conventionally carried out by wet chemical analytical methods and/or instrumental methods. Instrumental neutron activation analysis (INAA) is capable of analyzing samples nondestructively. As a part of a chemical quality control exercise, Zircaloys 2 and 4, nimonic alloy, and zirconium oxide samples were analyzed by two INAA methods. The samples of alloys and oxides were also analyzed by inductively coupled plasma optical emission spectroscopy (ICP-OES) and direct current Arc OES methods, respectively, for quality assurance purposes. The samples are important in various fields including nuclear technology. Samples were neutron irradiated using nuclear reactors, and the radioactive assay was carried out using high-resolution gamma-ray spectrometry. Major to trace mass fractions were determined using both relative and internal monostandard (IM) NAA methods as well as OES methods. In the case of alloys, compositional analyses as well as concentrations of some trace elements were determined, whereas in the case of zirconium oxides, six trace elements were determined. For method validation, British Chemical Standard (BCS)-certified reference material 310/1 (a nimonic alloy) was analyzed using both relative INAA and IM-NAA methods. The results showed that IM-NAA and relative INAA methods can be used for nondestructive chemical quality control of alloys and oxide samples.

Transcriptomic network analysis of micronuclei-related genes: a case study

DEFF Research Database (Denmark)

van Leeuwen, D. M.; Pedersen, Marie; Knudsen, Lisbeth E.

2011-01-01

checkpoint and aneuploidy. The MN-related gene network was tested against a transcriptomics case study associated with MN measurements. In this case study, transcriptomic data from children and adults differentially exposed to ambient air pollution in the Czech Republic were analysed and visualised......Mechanistically relevant information on responses of humans to xenobiotic exposure in relation to chemically induced biological effects, such as micronuclei (MN) formation can be obtained through large-scale transcriptomics studies. Network analysis may enhance the analysis and visualisation...... of such data. Therefore, this study aimed to develop a 'MN formation' network based on a priori knowledge, by using the pathway tool MetaCore. The gene network contained 27 genes and three gene complexes that are related to processes involved in MN formation, e.g. spindle assembly checkpoint, cell cycle...

ANALYSIS OF SAMPLES FROM TANK 5F CHEMICAL CLEANING

Energy Technology Data Exchange (ETDEWEB)

Poirier, M.; Fink, S.

2011-03-07

The Savannah River Site (SRS) is preparing Tank 5F for closure. The first step in preparing the tank for closure is mechanical sludge removal. Following mechanical sludge removal, SRS performed chemical cleaning with oxalic acid to remove the sludge heel. Personnel are currently assessing the effectiveness of the chemical cleaning. SRS personnel collected liquid samples during chemical cleaning and submitted them to Savannah River National Laboratory (SRNL) for analysis. Following chemical cleaning, they collected a solid sample (also known as 'process sample') and submitted it to SRNL for analysis. The authors analyzed these samples to assess the effectiveness of the chemical cleaning process. The conclusions from this work are: (1) With the exception of iron, the dissolution of sludge components from Tank 5F agreed with results from the actual waste demonstration performed in 2007. The fraction of iron removed from Tank 5F by chemical cleaning was significantly less than the fraction removed in the SRNL demonstrations. The likely cause of this difference is the high pH following the first oxalic acid strike. (2) Most of the sludge mass remaining in the tank is iron and nickel. (3) The remaining sludge contains approximately 26 kg of barium, 37 kg of chromium, and 37 kg of mercury. (4) Most of the radioactivity remaining in the residual material is beta emitters and {sup 90}Sr. (5) The chemical cleaning removed more than {approx} 90% of the uranium isotopes and {sup 137}Cs. (6) The chemical cleaning removed {approx} 70% of the neptunium, {approx} 83% of the {sup 90}Sr, and {approx} 21% of the {sup 60}Co. (7) The chemical cleaning removed less than 10% of the plutonium, americium, and curium isotopes. (8) The chemical cleaning removed more than 90% of the aluminium, calcium, and sodium from the tank. (9) The cleaning operations removed 61% of lithium, 88% of non-radioactive strontium, and 65% of zirconium. The {sup 90}Sr and non-radioactive strontium were

Transcriptome Sequencing of Chemically Induced Aquilaria sinensis to Identify Genes Related to Agarwood Formation.

Science.gov (United States)

Ye, Wei; Wu, Hongqing; He, Xin; Wang, Lei; Zhang, Weimin; Li, Haohua; Fan, Yunfei; Tan, Guohui; Liu, Taomei; Gao, Xiaoxia

2016-01-01

Agarwood is a traditional Chinese medicine used as a clinical sedative, carminative, and antiemetic drug. Agarwood is formed in Aquilaria sinensis when A. sinensis trees are threatened by external physical, chemical injury or endophytic fungal irritation. However, the mechanism of agarwood formation via chemical induction remains unclear. In this study, we characterized the transcriptome of different parts of a chemically induced A. sinensis trunk sample with agarwood. The Illumina sequencing platform was used to identify the genes involved in agarwood formation. A five-year-old Aquilaria sinensis treated by formic acid was selected. The white wood part (B1 sample), the transition part between agarwood and white wood (W2 sample), the agarwood part (J3 sample), and the rotten wood part (F5 sample) were collected for transcriptome sequencing. Accordingly, 54,685,634 clean reads, which were assembled into 83,467 unigenes, were obtained with a Q20 value of 97.5%. A total of 50,565 unigenes were annotated using the Nr, Nt, SWISS-PROT, KEGG, COG, and GO databases. In particular, 171,331,352 unigenes were annotated by various pathways, including the sesquiterpenoid (ko00909) and plant-pathogen interaction (ko03040) pathways. These pathways were related to sesquiterpenoid biosynthesis and defensive responses to chemical stimulation. The transcriptome data of the different parts of the chemically induced A. sinensis trunk provide a rich source of materials for discovering and identifying the genes involved in sesquiterpenoid production and in defensive responses to chemical stimulation. This study is the first to use de novo sequencing and transcriptome assembly for different parts of chemically induced A. sinensis. Results demonstrate that the sesquiterpenoid biosynthesis pathway and WRKY transcription factor play important roles in agarwood formation via chemical induction. The comparative analysis of the transcriptome data of agarwood and A. sinensis lays the foundation

Including chemical-related impact categories in LCA on printed matter does it matter?

DEFF Research Database (Denmark)

Larsen, Henrik Fred; Hansen, Morten Søes; Hauschild, Michael Zwicky

2004-01-01

global warming, acidification and nutrification. The studies focus on energy consumption including the emissions and impact categories related to energy. The chemical-related impact categories comprising ecotoxicity and human toxicity are not included at all or only to a limited degree. In this paper we...... include these chemical-related impact categories by making use of some of the newest knowledge about emissions from the production at the printing industry combined with knowledge about the composition of the printing materials used during the production of offset printed matter. This paper is based...... printed matter produced on a fictitious sheet feed offset printing industry in Europe has been identified and shown in Figure 1 (light bars). „Ï The effect of including the chemical related impact categories is substantial as shown in Figure 1, e.g. the importance of paper is reduced from 67% to 31...

An extended risk assessment approach for chemical plants applied to a study related to pipe ruptures

International Nuclear Information System (INIS)

Milazzo, Maria Francesca; Aven, Terje

2012-01-01

Risk assessments and Quantitative Risk Assessment (QRA) in particular have been used in the chemical industry for many years to support decision-making on the choice of arrangements and measures associated with chemical processes, transportation and storage of dangerous substances. The assessments have been founded on a risk perspective seeing risk as a function of frequency of events (probability) and associated consequences. In this paper we point to the need for extending this approach to place a stronger emphasis on uncertainties. A recently developed risk framework designed to better reflect such uncertainties is presented and applied to a chemical plant and specifically the analysis of accidental events related to the rupture of pipes. Two different ways of implementing the framework are presented, one based on the introduction of probability models and one without. The differences between the standard approach and the extended approaches are discussed from a theoretical point of view as well as from a practical risk analyst perspective.

Environmental Risk Assessment: Spatial Analysis of Chemical Hazards and Risks in South Korea

Science.gov (United States)

Yu, H.; Heo, S.; Kim, M.; Lee, W. K.; Jong-Ryeul, S.

2017-12-01

This study identified chemical hazard and risk levels in Korea by analyzing the spatial distribution of chemical factories and accidents. The number of chemical factories and accidents in 5-km2 grids were used as the attribute value for spatial analysis. First, semi-variograms were conducted to examine spatial distribution patterns and to identify spatial autocorrelation of chemical factories and accidents. Semi-variograms explained that the spatial distribution of chemical factories and accidents were spatially autocorrelated. Second, the results of the semi-variograms were used in Ordinary Kriging to estimate chemical hazard and risk level. The level values were extracted from the Ordinary Kriging result and their spatial similarity was examined by juxtaposing the two values with respect to their location. Six peaks were identified in both the hazard and risk estimation result, and the peaks correlated with major cities in Korea. Third, the estimated hazard and risk levels were classified with geometrical interval and could be classified into four quadrants: Low Hazard and Low Risk (LHLR), Low Hazard and High Risk (LHHR), High Hazard and Low Risk (HHLR), and High Hazard and High Risk (HHHR). The 4 groups identified different chemical safety management issues in Korea; relatively safe LHLR group, many chemical reseller factories were found in HHLR group, chemical transportation accidents were in the LHHR group, and an abundance of factories and accidents were in the HHHR group. Each quadrant represented different safety management obstacles in Korea, and studying spatial differences can support the establishment of an efficient risk management plan.

COLLABORATIVE TRIAL AND QUALITY CONTROL IN CHEMICAL ANALYSIS

Directory of Open Access Journals (Sweden)

Narsito Narsito

2010-06-01

Full Text Available Abstract                                                             This paper deals with some practical problems related to the quality of analytical chemical data usually met in practice. Special attention is given to the topic of quality control in analytical chemistry, since analytical data is one of the primary information from which some important scientifically based decision are to be made. The present paper starts with brief description on some fundamental aspects associated with quality of analytical data, such as sources of variation of analytical data, criteria for quality of analytical method, quality assurance in chemical analysis. The assessment of quality parameter for analytical method like the use of standard materials as well as standard methods is given. Concerning with the quality control of analytical data, the use of several techniques, such as control samples and control charts, in monitoring analytical data in quality control program are described qualitatively.  In the final part of this paper, some important remarks for the preparation of collaborative trials, including the evaluation of accuracy and reproducibility of analytical method are also given Keywords: collaborative trials, quality control, analytical data Abstract                                                             This paper deals with some practical problems related to the quality of analytical chemical data usually met in practice. Special attention is given to the topic of quality control in analytical chemistry, since analytical data is one of the primary information from which some important scientifically based decision are to be made. The present paper starts with brief description on some fundamental aspects associated with quality of analytical data, such as sources of variation of analytical data, criteria for quality of

The composition-explicit distillation curve technique: Relating chemical analysis and physical properties of complex fluids.

Science.gov (United States)

Bruno, Thomas J; Ott, Lisa S; Lovestead, Tara M; Huber, Marcia L

2010-04-16

The analysis of complex fluids such as crude oils, fuels, vegetable oils and mixed waste streams poses significant challenges arising primarily from the multiplicity of components, the different properties of the components (polarity, polarizability, etc.) and matrix properties. We have recently introduced an analytical strategy that simplifies many of these analyses, and provides the added potential of linking compositional information with physical property information. This aspect can be used to facilitate equation of state development for the complex fluids. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic properties for such complex heterogeneous streams. The technique is based on the advanced distillation curve (ADC) metrology, which separates a complex fluid by distillation into fractions that are sampled, and for which thermodynamically consistent temperatures are measured at atmospheric pressure. The collected sample fractions can be analyzed by any method that is appropriate. The analytical methods we have applied include gas chromatography (with flame ionization, mass spectrometric and sulfur chemiluminescence detection), thin layer chromatography, FTIR, corrosivity analysis, neutron activation analysis and cold neutron prompt gamma activation analysis. By far, the most widely used analytical technique we have used with the ADC is gas chromatography. This has enabled us to study finished fuels (gasoline, diesel fuels, aviation fuels, rocket propellants), crude oils (including a crude oil made from swine manure) and waste oils streams (used automotive and transformer oils). In this special issue of the Journal of Chromatography, specifically dedicated to extraction technologies, we describe the essential features of the advanced distillation curve metrology as an analytical strategy for complex fluids. Published by Elsevier B.V.

Safety- and Risk Analysis Activities in Chemical Industry in Europe

International Nuclear Information System (INIS)

Kozine, Igor; Duijm, Nijs Jan; Lauridsen Kurt

2001-01-01

The current paper gives an overview of the legislation and the methods used in safety and risk management in the chemical industry within Europe and in particular within the European Union. The paper is based on a report that has been written for the SOS-1 project under the Nordic nuclear safety research (NKS). Safety- and risk-related matters in the process industry, in particular, in chemical, within the EU are subject to consideration at three levels: (1) EU legislation, (2) European/intemational standardisation, and (3) socio-economic analysis. EC Directives define the 'essential requirements', e.g., protection of health and safety, that must be fulfilled when goods are placed on the market or some industry is put into operation. The European standards bodies (CEN, CENELEC and ETSI) have the task of establishing the corresponding technical specifications, meeting the essential requirements of the Directives, compliance with which will provide a presumption of conformity with the essential requirements. Such specifications are referred to as 'harmonised standards'. Compliance with harmonised standards remains voluntary, and manufacturers are free to choose any other technical solution that provides compliance with the essential requirements. This view is stated in the 'New Approach' to technical harmonisation and standardisation (details can be found on the web page: http://europe.eu.int/comm/enterprise/newapproach/standardization/index .html). Standardisation as well as the regulation of technical risks is increasingly being undertaken at European or international level. The European legislator limits its role to the affirmation of overall objectives, and leaves it to the economic players to draw up the technical procedures and standards to specify in detail the ways and means of attaining them. Many countries have introduced requirements that new legislation and/or administrative regulations be subject to socio-economic analysis. In this respect there is a

Safety- and Risk Analysis Activities in Chemical Industry in Europe

Energy Technology Data Exchange (ETDEWEB)

Kozine, Igor; Duijm, Nijs Jan; Lauridsen Kurt [Risoe National Laboratory, Roskilde (Denmark). Systems Analysis Department

2001-07-01

The current paper gives an overview of the legislation and the methods used in safety and risk management in the chemical industry within Europe and in particular within the European Union. The paper is based on a report that has been written for the SOS-1 project under the Nordic nuclear safety research (NKS). Safety- and risk-related matters in the process industry, in particular, in chemical, within the EU are subject to consideration at three levels: (1) EU legislation, (2) European/intemational standardisation, and (3) socio-economic analysis. EC Directives define the 'essential requirements', e.g., protection of health and safety, that must be fulfilled when goods are placed on the market or some industry is put into operation. The European standards bodies (CEN, CENELEC and ETSI) have the task of establishing the corresponding technical specifications, meeting the essential requirements of the Directives, compliance with which will provide a presumption of conformity with the essential requirements. Such specifications are referred to as 'harmonised standards'. Compliance with harmonised standards remains voluntary, and manufacturers are free to choose any other technical solution that provides compliance with the essential requirements. This view is stated in the 'New Approach' to technical harmonisation and standardisation (details can be found on the web page: http://europe.eu.int/comm/enterprise/newapproach/standardization/index .html). Standardisation as well as the regulation of technical risks is increasingly being undertaken at European or international level. The European legislator limits its role to the affirmation of overall objectives, and leaves it to the economic players to draw up the technical procedures and standards to specify in detail the ways and means of attaining them. Many countries have introduced requirements that new legislation and/or administrative regulations be subject to socio-economic analysis

The Imbalance Attitude of the Journalists in Six Chemical Castration Texts: An SFLCritical Discourse Analysis

Directory of Open Access Journals (Sweden)

Mustofa Kamal

2017-10-01

Full Text Available This research investigates how journalists behave in texts. The analysis focuses on the exploitation of attitudinal lexis. This is qualitatively explored through attitude and graduation. The data sources were columns of news, taken from an online version of The Jakarta Post on June sixth 2016. Having been selected using criterion-based sampling technique, the sources of data resulted in six chemical castration texts. The procedure of investigation consists of domain, taxonomic, componential, and cultural value analysis. The result shows that journalists are relatively subjective in reporting news by unbalancing the pros and cons, relatively inconsistent in work from delivering news to criticizing government officials, and relatively provocative by up-scaling critical evaluations against the government policy on sex offenders.

Failure analysis on a chemical waste pipe

International Nuclear Information System (INIS)

Ambler, J.R.

1985-01-01

A failure analysis of a chemical waste pipe illustrates how nuclear technology can spin off metallurgical consultant services. The pipe, made of zirconium alloy (Zr-2.5 wt percent Nb, UNS 60705), had cracked in several places, all at butt welds. A combination of fractography and metallography indicated delayed hydride cracking

Neutron activation analysis of bird bowls and related archaic ceramics from Miletus

International Nuclear Information System (INIS)

Kerschner, M.; Mommsen, H.; Beier, T.; Heimermann, D.; Hein, A.

1993-01-01

In this paper we present the results of a chemical investigation by neutron activation analysis of sherds of different kinds of bird kotylai, bird bowls and related wares excavated in Kalabaktepe, a hill of the ancient city of Miletus. A new archaeological classification of this well-known group of Archaic ceramics of eastern Greece is presented. A number of kiln wasters of misfired vessels from Kalabaktepe revealed a characteristic local pattern. This pattern helped to clarify the provenance of some of the bird bowls classified archaeologically as of orientalizing type: they have been made in Miletus. But bird kotylai and bird bowls in the ''standard fabric'' as well as other archaeologically related vessels show a different chemical pattern of unknown provenance. (author)

Neutron activation analysis of bird bowls and related archaic ceramics from Miletus

International Nuclear Information System (INIS)

Kerschner, M.; Mommsen, H.; Beier, T.; Heimermann, D.; Hein, A.

1993-01-01

In this paper we present the results of a chemical investigation by neutron activation analysis of sherds of different kinds of bird kotylai, bird bowls and related wares excavated in Kalabaktepe, a hill of the ancient city of Miletus. A new archaeological classification of this well-known group of Archaic ceramics of eastern Greece is represented. A number of kiln wasters of misfired vessels from Kalabaktepe revealed a characteristic local pattern. This pattern helped to clarify the provenance of some of the bird bowls classified archaeologically as of orientalizing type: they have been made in Miletus. But bird kotylai and bird bowls in the 'standard fabric' as well as other archaeologically related vessels show a different chemical pattern of unknown provenance. (author)

Statistic analysis of grouping in evaluation of the behavior of stable chemical elements and physical-chemical parameters in effluent from uranium mining

International Nuclear Information System (INIS)

Pereira, Wagner de S.

2013-01-01

The Ore Treatment Unit (UTM) is a uranium mine off. The statistical analysis of clustering was used to evaluate the behavior of stable chemical elements and physico-chemical variables in their effluents. The use of cluster analysis proved effective in the evaluation, allowing to identify groups of chemical elements in physico-chemical variables and group analyzes (element and variables ). As a result, we can say, based on the analysis of the data, a strong link between Ca and Mg and between Al and TR 2 O 3 (rare earth oxides) in the UTM effluents. The SO 4 was also identified as strongly linked to total solids and dissolved and these linked to electrical conductivity. Other associations existed, but were not as strongly linked. Additional collections for seasonal evaluation are required so that assessments can be confirmed. Additional statistics analysis (ordination techniques) should be used to help identify the origins of the groups identified in this analysis. (author)

Chemical equilibrium. [maximizing entropy of gas system to derive relations between thermodynamic variables

Science.gov (United States)

1976-01-01

The entropy of a gas system with the number of particles subject to external control is maximized to derive relations between the thermodynamic variables that obtain at equilibrium. These relations are described in terms of the chemical potential, defined as equivalent partial derivatives of entropy, energy, enthalpy, free energy, or free enthalpy. At equilibrium, the change in total chemical potential must vanish. This fact is used to derive the equilibrium constants for chemical reactions in terms of the partition functions of the species involved in the reaction. Thus the equilibrium constants can be determined accurately, just as other thermodynamic properties, from a knowledge of the energy levels and degeneracies for the gas species involved. These equilibrium constants permit one to calculate the equilibrium concentrations or partial pressures of chemically reacting species that occur in gas mixtures at any given condition of pressure and temperature or volume and temperature.

Relative risk analysis of several manufactured nanomaterials: an insurance industry context.

Science.gov (United States)

Robichaud, Christine Ogilvie; Tanzil, Dicksen; Weilenmann, Ulrich; Wiesner, Mark R

2005-11-15

A relative risk assessment is presented for the industrial fabrication of several nanomaterials. The production processes for five nanomaterials were selected for this analysis, based on their current or near-term potential for large-scale production and commercialization: single-walled carbon nanotubes, bucky balls (C60), one variety of quantum dots, alumoxane nanoparticles, and nano-titanium dioxide. The assessment focused on the activities surrounding the fabrication of nanomaterials, exclusive of any impacts or risks with the nanomaterials themselves. A representative synthesis method was selected for each nanomaterial based on its potential for scaleup. A list of input materials, output materials, and waste streams for each step of fabrication was developed and entered into a database that included key process characteristics such as temperature and pressure. The physical-chemical properties and quantities of the inventoried materials were used to assess relative risk based on factors such as volatility, carcinogenicity, flammability, toxicity, and persistence. These factors were first used to qualitatively rank risk, then combined using an actuarial protocol developed by the insurance industry for the purpose of calculating insurance premiums for chemical manufacturers. This protocol ranks three categories of risk relative to a 100 point scale (where 100 represents maximum risk): incident risk, normal operations risk, and latent contamination risk. Results from this analysis determined that relative environmental risk from manufacturing each of these five materials was comparatively low in relation to other common industrial manufacturing processes.

Molecular structure, vibrational analysis (IR and Raman) and quantum chemical investigations of 1-aminoisoquinoline

Science.gov (United States)

Sivaprakash, S.; Prakash, S.; Mohan, S.; Jose, Sujin P.

2017-12-01

Quantum chemical calculations of energy and geometrical parameters of 1-aminoisoquinoline [1-AIQ] were carried out by using DFT/B3LYP method using 6-311G (d,p), 6-311G++(d,p) and cc-pVTZ basis sets. The vibrational wavenumbers were computed for the energetically most stable, optimized geometry. The vibrational assignments were performed on the basis of potential energy distribution (PED) using VEDA program. The NBO analysis was done to investigate the intra molecular charge transfer of the molecule. The frontier molecular orbital (FMO) analysis was carried out and the chemical reactivity descriptors of the molecule were studied. The Mulliken charge analysis, molecular electrostatic potential (MEP), HOMO-LUMO energy gap and the related properties were also investigated at B3LYP level. The absorption spectrum of the molecule was studied from UV-Visible analysis by using time-dependent density functional theory (TD-DFT). Fourier Transform Infrared spectrum (FT-IR) and Raman spectrum of 1-AIQ compound were analyzed and recorded in the range 4000-400 cm-1 and 3500-100 cm-1 respectively. The experimentally determined wavenumbers were compared with those calculated theoretically and they complement each other.

Inline chemical process analysis in micro-plants based on thermoelectric flow and impedimetric sensors

International Nuclear Information System (INIS)

Jacobs, T; Kutzner, C; Hauptmann, P; Kropp, M; Lang, W; Brokmann, G; Steinke, A; Kienle, A

2010-01-01

In micro-plants, as used in chemical micro-process engineering, an integrated inline analytics is regarded as an important factor for the development and optimization of chemical processes. Up to now, there is a lack of sensitive, robust and low-priced micro-sensors for monitoring mixing and chemical conversion in micro-fluidic channels. In this paper a novel sensor system combining an impedimetric sensor and a novel pressure stable thermoelectric flow sensor for monitoring chemical reactions in micro-plants is presented. The CMOS-technology-based impedimetric sensor mainly consists of two capacitively coupled interdigital electrodes on a silicon chip. The thermoelectric flow sensor consists of a heater in between two thermopiles on a perforated membrane. The pulsed and constant current feeds of the heater were analyzed. Both sensors enable the analysis of chemical conversion by means of changes in the thermal and electrical properties of the liquid. The homogeneously catalyzed synthesis of n-butyl acetate as a chemical model system was studied. Experimental results revealed that in an overpressure regime, relative changes of less than 1% in terms of thermal and electrical properties can be detected. Furthermore, the transition from one to two liquid phases accompanied by the change in slug flow conditions could be reproducibly detected

Kinematic analysis of in situ measurement during chemical mechanical planarization process

Energy Technology Data Exchange (ETDEWEB)

Li, Hongkai; Wang, Tongqing; Zhao, Qian; Meng, Yonggang; Lu, Xinchun, E-mail: xclu@tsinghua.edu.cn [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

2015-10-15

Chemical mechanical planarization (CMP) is the most widely used planarization technique in semiconductor manufacturing presently. With the aid of in situ measurement technology, CMP tools can achieve good performance and stable productivity. However, the in situ measurement has remained unexplored from a kinematic standpoint. The available related resources for the kinematic analysis are very limited due to the complexity and technical secret. In this paper, a comprehensive kinematic analysis of in situ measurement is provided, including the analysis model, the measurement trajectory, and the measurement time of each zone of wafer surface during the practical CMP process. In addition, a lot of numerical calculations are performed to study the influences of main parameters on the measurement trajectory and the measurement velocity variation of the probe during the measurement process. All the efforts are expected to improve the in situ measurement system and promote the advancement in CMP control system.

Qualitative analysis of the crystalline and chemical content of the Teredo sp. (Turu)

International Nuclear Information System (INIS)

Matos, E.; Matos, M.; Matos, P.

1990-01-01

A qualitative analysis of the crystalline and elementary content of the Teredo sp. (Turu) is realised by diffraction and fluorescence Phillips equipment. A diffractogram and X-ray spectra are studied. The head constitution is almost exclusively formed by aragonite and calcite, visceral mass and coat, formed by Ca, K, S, P, Cl, Si, Fe and Ti. The relative amount of these chemical elements is the difference between each part of the Teredo sp. (Turu). (M.A.C.)

Development of a Mechanical Analysis System Considering Chemical Transitions of Barrier Materials

International Nuclear Information System (INIS)

Sahara, F.; Murakami, T.; Ito, H.; Kobayashi, I.; Yokozeki, K.

2006-01-01

An analysis system for the long-term mechanical behavior of barrier materials (MACBECE: Mechanical Analysis system considering Chemical transitions of Bentonite-based and Cement-based materials) was developed in order to improve the reliability of the evaluation of the hydraulic field that is one of the important environmental conditions in the safety assessment of the TRU waste disposal in Japan. The MACBECE is a system that calculates the deformation of barrier materials using their chemical property changes as inputs, and subsequently their hydraulic conductivity taking both their chemical property changes and deformation into consideration. This paper provides a general description of MACBECE and the results of experimental analysis carried out using MACBECE. (authors)

Backside versus frontside advanced chemical analysis of high-k/metal gate stacks

Energy Technology Data Exchange (ETDEWEB)

Martinez, E., E-mail: eugenie.martinez@cea.fr [Univ Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Saidi, B. [STMicroelectronics, 850 rue Jean Monnet, 38926 Rousset Cedex, Crolles (France); Veillerot, M. [Univ Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Caubet, P. [STMicroelectronics, 850 rue Jean Monnet, 38926 Rousset Cedex, Crolles (France); Fabbri, J-M. [Univ Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Piallat, F. [STMicroelectronics, 850 rue Jean Monnet, 38926 Rousset Cedex, Crolles (France); Gassilloud, R. [Univ Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Schamm-Chardon, S. [CEMES-CNRS et Université de Toulouse, 29 rue Jeanne Marvig, 31055 Toulouse (France)

2015-08-15

Highlights: • The backside approach is a promising solution for advanced chemical characterization of future MOSFETs. • Frontside ToF-SIMS and Auger depth profiles are affected by cumulative mixing effects and thus not relevant for analyzing ultra-thin layers. • Higher in-depth resolution is possible in the backside approach for Auger and ToF-SIMS depth profiling. • Backside depth profiling allows revealing ultra-thin layers and elemental in-depth redistribution inside high-k/metal gate stacks. • Backside XPS allows preserving the full metal gate, thus enabling the analysis of real technological samples. - Abstract: Downscaling of transistors beyond the 14 nm technological node requires the implementation of new architectures and materials. Advanced characterization methods are needed to gain information about the chemical composition of buried layers and interfaces. An effective approach based on backside analysis is presented here. X-ray photoelectron spectroscopy, Auger depth profiling and time-of-flight secondary ions mass spectrometry are combined to investigate inter-diffusion phenomena. To highlight improvements related to the backside method, backside and frontside analyses are compared. Critical information regarding nitrogen, oxygen and aluminium redistribution inside the gate stacks is obtained only in the backside configuration.

Refractometry and interferometry in chemical analysis; Refractometrie et interferometrie en analyse chimique

Energy Technology Data Exchange (ETDEWEB)

Veret, C [Faculte des Sciences de Paris, 75 (France)

2000-03-01

In vacuum, an electromagnetic radiation is propagated at a constant velocity. But, when it has to pass through a physical medium, it is submitted to different interactions (for instance: absorption, diffusion, refraction, polarization, dispersion, fluorescence) which lead to a modification of its propagation. In the frequency ranges of the radiation for which the absorption is not very important, the modifications of the propagation velocity of a radiation can bring data on the nature and/or the physical conditions (pressure, temperature) of a medium, whatever its state be: gas, liquid or solid. Thus, the absolute refractive index of a medium in relation to vacuum is defined as the ratio c/v of the propagation velocity c of a monochromatic electromagnetic radiation in vacuum at its velocity v in this medium. The photonic refractometry (field of ultraviolet, visible and infrared radiations) is the set of the measure techniques of the refractive indexes having a role in chemical analysis. The refractometry measures can only be applied to media which are optically transparent. After having described these techniques, the author presents their uses in chemical analysis. (O.M.)

Multivariate analysis of chromatographic retention data as a supplementary means for grouping structurally related compounds.

Science.gov (United States)

Fasoula, S; Zisi, Ch; Sampsonidis, I; Virgiliou, Ch; Theodoridis, G; Gika, H; Nikitas, P; Pappa-Louisi, A

2015-03-27

In the present study a series of 45 metabolite standards belonging to four chemically similar metabolite classes (sugars, amino acids, nucleosides and nucleobases, and amines) was subjected to LC analysis on three HILIC columns under 21 different gradient conditions with the aim to explore whether the retention properties of these analytes are determined from the chemical group they belong. Two multivariate techniques, principal component analysis (PCA) and discriminant analysis (DA), were used for statistical evaluation of the chromatographic data and extraction similarities between chemically related compounds. The total variance explained by the first two principal components of PCA was found to be about 98%, whereas both statistical analyses indicated that all analytes are successfully grouped in four clusters of chemical structure based on the retention obtained in four or at least three chromatographic runs, which, however should be performed on two different HILIC columns. Moreover, leave-one-out cross-validation of the above retention data set showed that the chemical group in which an analyte belongs can be 95.6% correctly predicted when the analyte is subjected to LC analysis under the same four or three experimental conditions as the all set of analytes was run beforehand. That, in turn, may assist with disambiguation of analyte identification in complex biological extracts. Copyright © 2015 Elsevier B.V. All rights reserved.

Physico-chemical findings related to the resilience of different soils ...

African Journals Online (AJOL)

As part of an interdisciplinary study on Sustainable Agriculture in semiarid Areas (SASA) in south-central Tanzania, soils from five different locations were investigated for their mineralogical composition and physico-chemical characteristics in order to determine their resilience in relation to land use. The results of the ...

The collection and field chemical analysis of water samples

International Nuclear Information System (INIS)

Korte, N.E.; Ealey, D.T.; Hollenbach, M.H.

1984-01-01

A successful water sampling program requires a clear understanding of appropriate measurement and sampling procedures in order to obtain reliable field data and representative samples. It is imperative that the personnel involved have a thorough knowledge of the limitations of the techniques being used. Though this seems self-evident, many sampling and field-chemical-analysis programs are still not properly conducted. Recognizing these problems, the Department of Energy contracted with Bendix Field Engineering Corporation through the Technical Measurements Center to develop and select procedures for water sampling and field chemical analysis at waste sites. The fundamental causese of poor field programs are addressed in this paper, largely through discussion of specific field-measurement techniques and their limitations. Recommendations for improvement, including quality-assurance measures, are also presented

Chemical analysis quality assurance at the ICPP

International Nuclear Information System (INIS)

Hand, R.L.

1990-01-01

This document discusses the chemical analysis quality assurance program at the ICPP which involves records management, analytical methods quality control, analysis procedures and training and qualification. Since 1979, the major portion of the quality assurance program has been implemented on a central analytical computer system. The individual features provided by the system are storage, retrieval, and search capabilities over all general request and sample analysis information, automatic method selection for all process streams, automation of all method calculations, automatic assignment of bias and precision estimates at all analysis levels, with-method-use requalification, untrained or unqualified analyst method lockout, statistical testing of all process stream results for replicate agreement, automatic testing of process results against pre- established operating, safety, or failure limits at varying confidence levels, and automatic transfer and report of all analysis data plus all statistical testing to the Production Department

Fatty acid composition and its association with chemical and sensory analysis of boar taint.

Science.gov (United States)

Liu, Xiaoye; Trautmann, Johanna; Wigger, Ruth; Zhou, Guanghong; Mörlein, Daniel

2017-09-15

A certain level of disagreement between the chemical analysis of androstenone and skatole and the human perception of boar taint has been found in many studies. Here we analyze whether the fatty acid composition can explain such inconsistency between sensory evaluation and chemical analysis of boar taint compounds. Therefore, back fat samples (n=143) were selected according to their sensory evaluation by a 10-person sensory panel, and the chemical analysis (stable isotope dilution analysis with headspace solid-phase microextraction and gas chromatography-mass spectrometry) of androstenone and skatole. Subsequently a quantification of fatty acids using gas chromatography-flame ionization detection was conducted. The correlation analyses revealed that several fatty acids are significantly correlated with androstenone, skatole, and the sensory rating. However, multivariate analyses (principal component analysis) revealed no explanation of the fatty acid composition with respect to the (dis-)agreement between sensory and chemical analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

Chemical constituents of Sweetpotato genotypes in relation to textural characteristics of processed French fries

Science.gov (United States)

Sweetpotato French fries (SPFF) are growing in popularity but limited information is available on SPFF textural properties in relation to chemical composition. This study aimed to investigate the relationship between chemical components of different sweetpotato varieties and textural characteristics...

Estimation of Environment-Related Properties of Chemicals for Design of Sustainable Processes: Development of Group-Contribution+ (GC+) Property Models and Uncertainty Analysis

Science.gov (United States)

The aim of this work is to develop group-contribution+ (GC+) method (combined group-contribution (GC) method and atom connectivity index (CI) method) based property models to provide reliable estimations of environment-related properties of organic chemicals together with uncert...

Devices for collecting chemical compounds

Science.gov (United States)

Scott, Jill R; Groenewold, Gary S

2013-12-24

A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

Chemical analysis as production guide

International Nuclear Information System (INIS)

Bouzigues, H.; Fontaine, A.; Patigny, P.

1975-01-01

All piloting data of chemical processing plants are based on the results of analysis. The first part of this article describes a system of analysers adapted to the needs of the Pierrelatte plant, with management of signals collected by the factory computer. Part two shows the influence of analytical development in the establishment of material balance sheets for the Marcoule spent fuel processing plant. Part three stresses the contribution of the automation of analytical test processes at the La Hague spent fuel processing plant. In all three cases the progress in analytical methods greatly improves the safety, reliability and response time of the various operations [fr

SWOT analysis for safer carriage of bulk liquid chemicals in tankers.

Science.gov (United States)

Arslan, Ozcan; Er, Ismail Deha

2008-06-15

The application of strengths, weaknesses, opportunities and threats (SWOT) analysis to formulation of strategy concerned with the safe carriage of bulk liquid chemicals in maritime tankers was examined in this study. A qualitative investigation using SWOT analysis has been implemented successfully for ships that are designed to carry liquid chemicals in bulk. The originality of this study lies in the use of SWOT analysis as a management tool to formulate strategic action plans for ship management companies, ship masters and officers for the carriage of dangerous goods in bulk. With this transportation-based SWOT analysis, efforts were made to explore the ways and means of converting possible threats into opportunities, and changing weaknesses into strengths; and strategic plans of action were developed for safer tanker operation.

Computational singular perturbation analysis of stochastic chemical systems with stiffness

Science.gov (United States)

Wang, Lijin; Han, Xiaoying; Cao, Yanzhao; Najm, Habib N.

2017-04-01

Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non-negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to not only construct accurately and efficiently the numerical solutions to stiff stochastic chemical reaction systems, but also analyze the dynamics of the reduced stochastic reaction systems. The algorithm is illustrated by an application to a benchmark stochastic differential equation model, and numerical experiments are carried out to demonstrate the effectiveness of the construction.

An analysis of chemical ingredients network of Chinese herbal formulae for the treatment of coronary heart disease.

Directory of Open Access Journals (Sweden)

Fan Ding

Full Text Available As a complex system, the complicated interactions between chemical ingredients, as well as the potential rules of interactive associations among chemical ingredients of traditional Chinese herbal formulae are not yet fully understood by modern science. On the other hand, network analysis is emerging as a powerful approach focusing on processing complex interactive data. By employing network approach in selected Chinese herbal formulae for the treatment of coronary heart disease (CHD, this article aims to construct and analyze chemical ingredients network of herbal formulae, and provide candidate herbs, chemical constituents, and ingredient groups for further investigation. As a result, chemical ingredients network composed of 1588 ingredients from 36 herbs used in 8 core formulae for the treatment of CHD was produced based on combination associations in herbal formulae. In this network, 9 communities with relative dense internal connections are significantly associated with 14 kinds of chemical structures with P<0.001. Moreover, chemical structural fingerprints of network communities were detected, while specific centralities of chemical ingredients indicating different levels of importance in the network were also measured. Finally, several distinct herbs, chemical ingredients, and ingredient groups with essential position in the network or high centrality value are recommended for further pharmacology study in the context of new drug development.

Chronic changes in pituitary adenylate cyclase-activating polypeptide and related receptors in response to repeated chemical dural stimulation in rats.

Science.gov (United States)

Han, Xun; Ran, Ye; Su, Min; Liu, Yinglu; Tang, Wenjing; Dong, Zhao; Yu, Shengyuan

2017-01-01

Background Preclinical experimental studies revealed an acute alteration of pituitary adenylate cyclase-activating polypeptide in response to a single activation of the trigeminovascular system, which suggests a potential role of pituitary adenylate cyclase-activating polypeptide in the pathogenesis of migraine. However, changes in pituitary adenylate cyclase-activating polypeptide after repeated migraine-like attacks in chronic migraine are not clear. Therefore, the present study investigated chronic changes in pituitary adenylate cyclase-activating polypeptide and related receptors in response to repeated chemical dural stimulations in the rat. Methods A rat model of chronic migraine was established by repeated chemical dural stimulations using an inflammatory soup for a different numbers of days. The pituitary adenylate cyclase-activating polypeptide levels were quantified in plasma, the trigeminal ganglia, and the trigeminal nucleus caudalis using radioimmunoassay and Western blotting in trigeminal ganglia and trigeminal nucleus caudalis tissues. Western blot analysis and real-time polymerase chain reaction were used to measure the protein and mRNA expression of pituitary adenylate cyclase-activating polypeptide-related receptors (PAC1, VPAC1, and VPAC2) in the trigeminal ganglia and trigeminal nucleus caudalis to identify changes associated with repetitive applications of chemical dural stimulations. Results All rats exhibited significantly decreased periorbital nociceptive thresholds to repeated inflammatory soup stimulations. Radioimmunoassay and Western blot analysis demonstrated significantly decreased pituitary adenylate cyclase-activating polypeptide levels in plasma and trigeminal ganglia after repetitive chronic inflammatory soup stimulation. Protein and mRNA analyses of pituitary adenylate cyclase-activating polypeptide-related receptors demonstrated significantly increased PAC1 receptor protein and mRNA expression in the trigeminal ganglia, but not

Analysis of chemical constituents in medicinal plants of selected ...

African Journals Online (AJOL)

Analysis of chemical constituents in medicinal plants of selected districts of Pakhtoonkhwa, Pakistan. I Hussain, R Ullah, J Khan, N Khan, M Zahoor, N Ullah, MuR Khattak, FA Khan, A Baseer, M Khurram ...

Quantitative analysis of abused drugs in physiological fluids by gas chromatography/chemical ionization mass spectrometry

International Nuclear Information System (INIS)

Foltz, R.L.

1978-01-01

Methods have been developed for quantitative analysis of commonly abused drugs in physiological fluids using gas chromatography/chemical ionization mass spectrometry. The methods are being evaluated in volunteer analytical and toxicological laboratories, and analytical manuals describing the methods are being prepared. The specific drug and metabolites included in this program are: Δ 9 -tetrahydrocannabinol, methadone, phencyclidine, methaqualone, morphine, amphetamine, methamphetamine, mescaline, 2,5-dimethoxy-4-methyl amphetamine, cocaine, benzoylecgonine, diazepam, and N-desmethyldiazepam. The current analytical methods utilize relatively conventional instrumentation and procedures, and are capable of measuring drug concentrations as low as 1 ng/ml. Various newer techniques such as sample clean-up by high performance liquid chromatography, separation by glass capillary chromatography, and ionization by negative ion chemical ionization are being investigated with respect to their potential for achieving higher sensitivity and specificity, as well as their ability to facilitate simultaneous analysis of more than one drug and metabolite. (Auth.)

Chemical Analysis of Plants that Poison Livestock: Successes, Challenges, and Opportunities.

Science.gov (United States)

Welch, Kevin D; Lee, Stephen T; Cook, Daniel; Gardner, Dale R; Pfister, James A

2018-04-04

Poisonous plants have a devastating impact on the livestock industry as well as human health. To fully understand the effects of poisonous plants, multiple scientific disciplines are required. Chemical analysis of plant secondary compounds is key to identifying the responsible toxins, characterizing their metabolism, and understanding their effects on animals and humans. In this review, we highlight some of the successes in studying poisonous plants and mitigating their toxic effects. We also highlight some of the remaining challenges and opportunities with regards to the chemical analysis of poisonous plants.

Physico-chemical analysis and sensory evaluation of bread ...

African Journals Online (AJOL)

This study carried out the physico-chemical analysis and sensory evaluation of bread produced using different indigenous yeast isolates in order to offer an insight into the overall quality of the bread. Four (4) different yeast species were isolated from sweet orange, pineapple and palm wine. The yeasts were characterized ...

Comparison of Chemical Constituents in Scrophulariae Radix Processed by Different Methods based on UFLC-MS Combined with Multivariate Statistical Analysis.

Science.gov (United States)

Wang, Shengnan; Hua, Yujiao; Zou, Lisi; Liu, Xunhong; Yan, Ying; Zhao, Hui; Luo, Yiyuan; Liu, Juanxiu

2018-02-01

Scrophulariae Radix is one of the most popular traditional Chinese medicines (TCMs). Primary processing of Scrophulariae Radix is an important link which closely related to the quality of products in this TCM. The aim of this study is to explore the influence of different processing methods on chemical constituents in Scrophulariae Radix. The difference of chemical constituents in Scrophulariae Radix processed by different methods was analyzed by using ultra fast liquid chromatography-triple quadrupole-time of flight mass spectrometry coupled with principal component analysis and orthogonal partial least squares discriminant analysis. Furthermore, the contents of 12 index differential constituents in Scrophulariae Radix processed by different methods were simultaneously determined by using ultra fast liquid chromatography coupled with triple quadrupole-linear ion trap mass spectrometry. Gray relational analysis was performed to evaluate the different processed samples according to the contents of 12 constituents. All of the results demonstrated that the quality of Scrophulariae Radix processed by "sweating" method was better. This study will provide the basic information for revealing the change law of chemical constituents in Scrophulariae Radix processed by different methods and facilitating selection of the suitable processing method of this TCM. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Recent Development in Optical Chemical Sensors Coupling with Flow Injection Analysis

Directory of Open Access Journals (Sweden)

Fuensanta Sánchez Rojas

2006-10-01

Full Text Available Optical techniques for chemical analysis are well established and sensors based on thesetechniques are now attracting considerable attention because of their importance in applications suchas environmental monitoring, biomedical sensing, and industrial process control. On the other hand,flow injection analysis (FIA is advisable for the rapid analysis of microliter volume samples and canbe interfaced directly to the chemical process. The FIA has become a widespread automatic analyticalmethod for more reasons; mainly due to the simplicity and low cost of the setups, their versatility, andease of assembling. In this paper, an overview of flow injection determinations by using opticalchemical sensors is provided, and instrumentation, sensor design, and applications are discussed. Thiswork summarizes the most relevant manuscripts from 1980 to date referred to analysis using opticalchemical sensors in FIA.

Chemical review and studies related to species from the genus Tynanthus (Bignoniaceae

Directory of Open Access Journals (Sweden)

Fernanda Colombi Cansian

2015-09-01

Full Text Available Species from the Bignoniaceae Family, including the genus Tynanthus, are very prevalent in the tropical Americas, with specimens found in a large part of the Brazilian territory. These plants are commonly used in traditional medicine for several purposes, and some studies have described their chemical structure, in addition to other reports related to some species from this genus. This review aimed to gather information from published works concerning species of the genus Tynanthus, as well as to detect flaws in research related to these plants, which may have great biological and pharmaceutical importance. Also, this review points out some common chemical characteristics of these species, providing information that may help new researchers to improve their knowledge about these plants.

Flow Injection Analysis and Liquid Chromatography for Multifunctional Chemical Analysis (MCA) Systems

Science.gov (United States)

Mayo, Ana V.; Loegel, Thomas N.; Bretz, Stacey Lowery; Danielson, Neil D.

2013-01-01

The large class sizes of first-year chemistry labs makes it challenging to provide students with hands-on access to instrumentation because the number of students typically far exceeds the number of research-grade instruments available to collect data. Multifunctional chemical analysis (MCA) systems provide a viable alternative for large-scale…

Identification of chemicals relevant to the Chemical Weapons Convention using the novel sample-preparation methods and strategies of the Mobile Laboratory of the Organization for the Prohibition of Chemical Weapons

NARCIS (Netherlands)

Terzic, O.; Gregg, H.; de Voogt, P.

2015-01-01

The standard approach to on-site sample preparation for gas chromatography-mass spectrometry analysis of chemicals relevant to the Chemical Weapons Convention provides relatively good coverage of the target analytes, but it suffers from a number of drawbacks, such as low sample throughput, use of

Abstracts of the 8th Conference on total reflection x-ray fluorescence analysis and related methods

International Nuclear Information System (INIS)

Wobrauschek, P.

2000-01-01

The 8. conference on total reflection x-ray fluorescence analysis and related methods held from 25.9 to 29.9.2000 contains 79 abstracts about x-ray fluorescence analysis (XRFA) as a powerful tool used for industrial production, geological prospecting and for environmental control. Total reflection x-ray fluorescence spectroscopy is also a tool used for chemical analysis in medicine, industry and research. (E.B.)

Hydrogen determination in chemically delithiated lithium ion battery cathodes by prompt gamma activation analysis

Science.gov (United States)

Alvarez, Emilio, II

2007-12-01

Lithium ion batteries, due to their relatively high energy density, are now widely used as the power source for portable electronics. Commercial lithium ion cells currently employ layered LiCoO2 as a cathode but only 50% of its theoretical capacity can be utilized. The factors that cause the limitation are not fully established in the literature. With this perspective, prompt gamma-ray activation analysis (PGAA) has been employed to determine the hydrogen content in various oxide cathodes that have undergone chemical extraction of lithium (delithiation). The PGAA data is complemented by data obtained from atomic absorption spectroscopy (AAS), redox titration, thermogravimetric analysis (TGA), and mass spectroscopy to better understand the capacity limitations and failure mechanisms of lithium ion battery cathodes. As part of this work, the PGAA facility has been redesigned and reconstructed. The neutron and gamma-ray backgrounds have been reduced by more than an order of magnitude. Detection limits for elements have also been improved. Special attention was given to the experimental setup including potential sources of error and system calibration for the detection of hydrogen. Spectral interference with hydrogen arising from cobalt was identified and corrected for. Limits of detection as a function of cobalt mass present in a given sample are also discussed. The data indicates that while delithiated layered Li1- xCoO2, Li1-xNi 1/3Mn1/3Co1/3O2, and Li1- xNi0.5Mn0.5O2 take significant amounts of hydrogen into the lattice during deep extraction, orthorhombic Li 1-xMnO2, spinel Li1- xMn2O4, and olivine Li1- xFePO4 do not. Layered LiCoO2, LiNi 0.5Mn0.5O2, and LiNi1/3Mn1/3Co 1/3O2 have been further analyzed to assess their relative chemical instabilities while undergoing stepped chemical delithiation. Each system takes increasing amounts of protons at lower lithium contents. The differences are attributed to the relative chemical instabilities of the various cathodes

The development of chemical speciation analysis

International Nuclear Information System (INIS)

Martin, R.; Santana, J.L.; Lima, L.; De La Rosa, D.; Melchor, K.

2003-01-01

The knowledge of many metals species on the environmental, its bioaccumulation, quantification and its effect in human body has been studied by a wide researchers groups in the last two decades. The development of speciation analysis has an vertiginous advance close to the developing of novel analytical techniques. Separation and quantification at low level is a problem that's has been afford by a coupling of high resolution chromatographic techniques like HPLC and HRGC with a specific method of detection (ICP-MS or CV-AAS). This methodological approach make possible the success in chemical speciation nowadays

Laser chemical analysis: the recent developments

International Nuclear Information System (INIS)

Mauchien, P.

1997-01-01

This paper gives a general overview and describes the principles of the main laser-based techniques for physical and chemical analysis, and of their recent developments. Analytical techniques using laser radiations were actually developed at the end of the 1970's. The recent evolutions concern the 3 principal techniques of laser spectroscopy currently used: Raman, fluorescence (atomic and molecular) and ablation (ICP laser ablation-plasma coupling, optical emission spectroscopy on laser-induced plasma). The description of these different techniques is illustrated with some examples of applications. (J.S.)

Summer 2012 Testing and Analysis of the Chemical Mixture Methodology -- Part I

Energy Technology Data Exchange (ETDEWEB)

Glantz, Clifford S.; Yu, Xiao-Ying; Coggin, Rebekah L.; Ponder, Lashaundra A.; Booth, Alexander E.; Petrocchi, Achille J.; Horn, Sarah M.; Yao, Juan

2012-07-01

This report presents the key findings made by the Chemical Mixture Methodology (CMM) project team during the first stage of their summer 2012 testing and analysis of the CMM. The study focused on answering the following questions: o What is the percentage of the chemicals in the CMM Rev 27 database associated with each Health Code Number (HCN)? How does this result influence the relative importance of acute HCNs and chronic HCNs in the CMM data set? o What is the benefit of using the HCN-based approach? Which Modes of Action and Target Organ Effects tend to be important in determining the HCN-based Hazard Index (HI) for a chemical mixture? o What are some of the potential issues associated with the current HCN-based approach? What are the opportunities for improving the performance and/or technical defensibility of the HCN-based approach? How would those improvements increase the benefit of using the HCN-based approach? o What is the Target Organ System Effect approach and how can it be used to improve upon the current HCN-based approach? How does the benefits users would derive from using the Target Organ System Approach compare to the benefits available from the current HCN-based approach?

Chemical analysis of refractories by plasma spectrometry

International Nuclear Information System (INIS)

Coutinho, C.A.

1990-01-01

X-ray spectrometry has been, since the last two or three decades, the traditional procedure for the chemical analysis of refractories, due to its high degree of accuracy and speed to produce analytical results. An interesting alternative to X-ray fluorescence is provided by the Inductively Coupled Plasma Spectrometry technique, for those laboratories where wet chemistry facilities are already available or process control is not required at high speed, or investiment costs have to be low. This paper presents results obtained by plasma spectroscopy for the analysis of silico - aluminous refractories, showing calibration curves, precion and detection limits. Considerations and comparisons with X-ray fluorescence are also made. (author) [pt

ESC resistance of commercial grade polycarbonates during exposure to butter and related chemicals

DEFF Research Database (Denmark)

Kjellander, Carina Koch; Nielsen, Tenna B; Ghanbari-Siahkali, Afshin

2008-01-01

differences in ESC resistance could be related to their structural or chemical properties. MALDI-TOF mass spectrometry revealed that Makrolon Rx:1805 contains a low molar mass material characterised as poly(propylene glycol)p, which was confirmed by ATR-FTIR and H-1 NMR. Some "non-absorbing" chemicals......, such as butter, cause the PCs to be less resistant to ESC under stress. The reason for this is that these chemicals and the PCs have sufficiently similar Hansen solubility parameters to allow surface conformational changes even though absorption is non-existent or extremely small. ATR-FTIR was used to detect...

Forecasting global developments in the basic chemical industry for environmental policy analysis

NARCIS (Netherlands)

Broeren, M.L.M.|info:eu-repo/dai/nl/371687438; Saygin, D.; Patel, M.K.

The chemical sector is the largest industrial energy user, but detailed analysis of its energy use developments lags behind other energy-intensive sectors. A cost-driven forecasting model for basic chemicals production is developed, accounting for regional production costs, demand growth and stock

Hydrogen fluoride (HF) substance flow analysis for safe and sustainable chemical industry.

Science.gov (United States)

Kim, Junbeum; Hwang, Yongwoo; Yoo, Mijin; Chen, Sha; Lee, Ik-Mo

2017-11-01

In this study, the chemical substance flow of hydrogen fluoride (hydrofluoric acid, HF) in domestic chemical industries in 2014 was analyzed in order to provide a basic material and information for the establishment of organized management system to ensure safety during HF applications. A total of 44,751 tons of HF was made by four domestic companies (in 2014); import amount was 95,984 tons in 2014 while 21,579 tons of HF was imported in 2005. The export amount of HF was 2180 tons, of which 2074 ton (China, 1422 tons, U.S. 524 tons, and Malaysia, 128 tons) was exported for the manufacturing of semiconductors. Based on the export and import amounts, it can be inferred that HF was used for manufacturing semiconductors. The industries applications of 161,123 tons of HF were as follows: manufacturing of basic inorganic chemical substance (27,937 tons), manufacturing of other chemical products such as detergents (28,208 tons), manufacturing of flat display (24,896 tons), and manufacturing of glass container package (22,002 tons). In this study, an analysis of the chemical substance flow showed that HF was mainly used in the semiconductor industry as well as glass container manufacturing. Combined with other risk management tools and approaches in the chemical industry, the chemical substance flow analysis (CSFA) can be a useful tool and method for assessment and management. The current CSFA results provide useful information for policy making in the chemical industry and national systems. Graphical abstract Hydrogen fluoride chemical substance flows in 2014 in South Korea.

Chemical analysis of steel by optical emission spectrometry

International Nuclear Information System (INIS)

Hayakawa, M.O.; Kajita, T.; Jeszensky, G.

1981-01-01

The development of the chemical analysis for special steels by optical emission spectrometry direct reading method with computer, at the Siderurgica N.S. Aparecida S.A. is presented. Results are presented for the low alloy steels and high speed steel. Also, the contribution of this method to the special steel preparation is commented. (Author) [pt

Chemical and antimicrobial analysis of husk fiber aqueous extract ...

African Journals Online (AJOL)

Chemical and antimicrobial analysis of husk fiber aqueous extract from Cocos nucifera L. Davi Oliveira e Silva, Gabriel Rocha Martins, Antônio Jorge Ribeiro da Silva, Daniela Sales Alviano, Rodrigo Pires Nascimento, Maria Auxiliadora Coelho Kaplan, Celuta Sales Alviano ...

Chemical analysis of DC745 Materials: DEV Lot 1 reinvestigation; barcodes P053387, P053388, and P053389

Energy Technology Data Exchange (ETDEWEB)

Dirmyer, Matthew R. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-11-09

This report serves as a follow up to our initial development lot 1 chemical analysis report (LA-UR-16-21970). The purpose of that report was to determine whether or not certain combinations of resin lots and curing agent lots resulted in chemical differences in the final material. One finding of that report suggested that pad P053389 was different from the three other pads analyzed. This report consists of chemical analysis of P053387, P053388, and a reinvestigation of P053389 all of which came from the potentially suspect combination of resin and curing agents lot. The goal of this report is to determine whether the observations relating to P053389 were isolated to that particular pad or systemic to that combination of resin and curing agent lot. The following suite of analyses were performed on the pads: Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA), Fourier Transform Infrared Spectroscopy (FT-IR), and Solid State Nuclear Magnetic Resonance (NMR). The overall conclusions of the study are that pads P053387 and P053388 behave more consistently with the pads of other resin lot and curing agent lot combinations and that the chemical observations made regarding pad P053389 are isolated to that pad and not representative of an issue with that resin lot and curing agent lot combination.

Analysis of the Precursors, Simulants and Degradation Products of Chemical Warfare Agents.

Science.gov (United States)

Witkiewicz, Zygfryd; Neffe, Slawomir; Sliwka, Ewa; Quagliano, Javier

2018-09-03

Recent advances in analysis of precursors, simulants and degradation products of chemical warfare agents (CWA) are reviewed. Fast and reliable analysis of precursors, simulants and CWA degradation products is extremely important at a time, when more and more terrorist groups and radical non-state organizations use or plan to use chemical weapons to achieve their own psychological, political and military goals. The review covers the open source literature analysis after the time, when the chemical weapons convention had come into force (1997). The authors stated that during last 15 years increased number of laboratories are focused not only on trace analysis of CWA (mostly nerve and blister agents) in environmental and biological samples, but the growing number of research are devoted to instrumental analysis of precursors and degradation products of these substances. The identification of low-level concentration of CWA degradation products is often more important and difficult than the original CWA, because of lower level of concentration and a very large number of compounds present in environmental and biological samples. Many of them are hydrolysis products and are present in samples in the ionic form. For this reason, two or three instrumental methods are used to perform a reliable analysis of these substances.

Development of chemical equilibrium analysis code 'CHEEQ'

International Nuclear Information System (INIS)

Nagai, Shuichiro

2006-08-01

'CHEEQ' code which calculates the partial pressure and the mass of the system consisting of ideal gas and pure condensed phase compounds, was developed. Characteristics of 'CHEEQ' code are as follows. All the chemical equilibrium equations were described by the formation reactions from the mono-atomic gases in order to simplify the code structure and input preparation. Chemical equilibrium conditions, Σν i μ i =0 for the gaseous compounds and precipitated condensed phase compounds and Σν i μ i > 0 for the non-precipitated condensed phase compounds, were applied. Where, ν i and μ i are stoichiometric coefficient and chemical potential of component i. Virtual solid model was introduced to perform the calculation of constant partial pressure condition. 'CHEEQ' was consisted of following 3 parts, (1) analysis code, zc132. f. (2) thermodynamic data base, zmdb01 and (3) input data file, zindb. 'CHEEQ' code can calculate the system which consisted of elements (max.20), condensed phase compounds (max.100) and gaseous compounds. (max.200). Thermodynamic data base, zmdb01 contains about 1000 elements and compounds, and 200 of them were Actinide elements and their compounds. This report describes the basic equations, the outline of the solution procedure and instructions to prepare the input data and to evaluate the calculation results. (author)

Neutron activation analysis for chemical characterization of Brazilian oxo-biodegradable plastics

International Nuclear Information System (INIS)

Mateus Eugenio Boscaro; De Nadai Fernandes, E.A.; Marcio Arruda Bacchi; Luis Gustavo Cofani dos Santos; Cofani dos Santos, S.N.S.; Sandra Mara Martins-Franchetti

2015-01-01

The chemical characterization of oxo-biodegradable plastic bags was performed by neutron activation analysis. The presence of several chemical elements (As, Br, Ca, Co, Cr, Fe, Hf, K, La, Na, Sb, Sc, Ta and Zn) with large variability of mass fractions amongst samples indicates that these plastics receive additives and may have been contaminated during manufacturing process thereby becoming potential environmental pollutants. (author)

Activation analysis. A basis for chemical similarity and classification

Energy Technology Data Exchange (ETDEWEB)

Beeck, J OP de [Ghent Rijksuniversiteit (Belgium). Instituut voor Kernwetenschappen

1977-01-01

It is shown that activation analysis is especially suited to serve as a basis for determining the chemical similarity between samples defined by their trace-element concentration patterns. The general problem of classification and identification is discussed. The nature of possible classification structures and their appropriate clustering strategies is considered. A practical computer method is suggested and its application as well as the graphical representation of classification results are given. The possibility for classification using information theory is mentioned. Classification of chemical elements is discussed and practically realized after Hadamard transformation of the concentration variation patterns in a series of samples.

Chemical analysis of plasma-assisted antimicrobial treatment on cotton

International Nuclear Information System (INIS)

Kan, C W; Lam, Y L; Yuen, C W M; Luximon, A; Lau, K W; Chen, K S

2013-01-01

This paper explores the use of plasma treatment as a pretreatment process to assist the application of antimicrobial process on cotton fabric with good functional effect. In this paper, antimicrobial finishing agent, Microfresh Liquid Formulation 9200-200 (MF), and a binder (polyurethane dispersion, Microban Liquid Formulation R10800-0, MB) will be used for treating the cotton fabric for improving the antimicrobial property and pre-treatment of cotton fabric by plasma under atmospheric pressure will be employed to improve loading of chemical agents. The chemical analysis of the treated cotton fabric will be conducted by Fourier transform Infrared Spectroscopy.

International Research Project on the Effects of Chemical Ageing of Polymers on Performance Properties: Chemical and Thermal Analysis

Science.gov (United States)

Bulluck, J. W.; Rushing, R. A.

1996-01-01

Work during the past six months has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) pipes. Among the areas investigated were the crystallinity changes associated with both the Coflon and Tefzel after various simulated environmental exposures using X-ray diffraction analysis. We have found that significant changes in polymer crystallinity levels occur as a function of the exposures. These crystallinity changes may have important consequences on the fracture, fatigue, tensile, and chemical resistance of the materials. We have also noted small changes in the molecular weight distribution. Again these changes may result in variations in the mechanical and chemical properties in the material. We conducted numerous analytical studies with methods including X-ray Diffraction, Gel Permeation Chromatography, Fourier Transform Infrared Spectroscopy, Ultra- Violet Scanning Analysis, GC/Mass Spectrometry, Differential Scanning Calorimetry and Thermomechanical Analysis. In the ultra-violet analysis we noted the presence of an absorption band indicative of triene formation. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. We also cast films at SWT and subjected these films to a refluxing methanol 1% ethylene diamine solution. An updated literature search was conducted using Dialog and DROLLS to identify any new papers that may have been published in the open literature since the start of this project. The updated literature search and abstracts are contained in the Appendix section of this report.

Impact of oil and related chemicals on the marine environment

International Nuclear Information System (INIS)

1993-01-01

This review updates a previous review entitled ''Impact of Oil on the Marine Environment''. It covers oil and individual hydrocarbons, used lubricating oils, chemical control agents for oil spills, and wastes from offshore petroleum operations. It considers all major knowledge generated since the mid-1970s. The review covers its topics comprehensively, from a consideration of the composition, sources and inputs of oil to its ecological and human health effects and its effects on man's use of the sea. The review addresses several key questions on the present levels of contamination, the impact of hydrocarbons and related chemicals on marine biota, the recovery potential of marine ecosystems exposed to these contaminants, the degree of protection required for marine ecosystems known to be vulnerable and sensitive, and recommended research and other actions to fill gaps in knowledge. The review describes the hazards of marine oil pollution and associated chemicals and wastes as they are understood currently, and clarifies the importance of reducing oil inputs in coastal and offshore waters. It assists in considering fundamental questions, asked by the public and decision-makers alike, such as: how much oil is entering our oceans, and how much harm is it doing? (author)

Phthalic Acid Chemical Probes Synthesized for Protein-Protein Interaction Analysis

Directory of Open Access Journals (Sweden)

Chin-Jen Wu

2013-06-01

Full Text Available Plasticizers are additives that are used to increase the flexibility of plastic during manufacturing. However, in injection molding processes, plasticizers cannot be generated with monomers because they can peel off from the plastics into the surrounding environment, water, or food, or become attached to skin. Among the various plasticizers that are used, 1,2-benzenedicarboxylic acid (phthalic acid is a typical precursor to generate phthalates. In addition, phthalic acid is a metabolite of diethylhexyl phthalate (DEHP. According to Gene_Ontology gene/protein database, phthalates can cause genital diseases, cardiotoxicity, hepatotoxicity, nephrotoxicity, etc. In this study, a silanized linker (3-aminopropyl triethoxyslane, APTES was deposited on silicon dioxides (SiO2 particles and phthalate chemical probes were manufactured from phthalic acid and APTES–SiO2. These probes could be used for detecting proteins that targeted phthalic acid and for protein-protein interactions. The phthalic acid chemical probes we produced were incubated with epithelioid cell lysates of normal rat kidney (NRK-52E cells to detect the interactions between phthalic acid and NRK-52E extracted proteins. These chemical probes interacted with a number of chaperones such as protein disulfide-isomerase A6, heat shock proteins, and Serpin H1. Ingenuity Pathways Analysis (IPA software showed that these chemical probes were a practical technique for protein-protein interaction analysis.

Bark chemical analysis explains selective bark damage by rodents

Czech Academy of Sciences Publication Activity Database

Heroldová, Marta; Jánová, Eva; Suchomel, J.; Purchart, L.; Homolka, Miloslav

2009-01-01

Roč. 2, č. 2 (2009), s. 137-140 ISSN 1803-2451 R&D Projects: GA MZe QH72075 Institutional research plan: CEZ:AV0Z60930519 Keywords : bark damage * bark selection * bark chemical analysis * rowan * beech * spruce * mountain forest regeneration Subject RIV: GK - Forestry

Chemical imaging and solid state analysis at compact surfaces using UV imaging

DEFF Research Database (Denmark)

Wu, Jian X.; Rehder, Sönke; van den Berg, Frans

2014-01-01

and excipients in a non-invasive way, as well as mapping the glibenclamide solid state form. An exploratory data analysis supported the critical evaluation of the mapping results and the selection of model parameters for the chemical mapping. The present study demonstrated that the multi-wavelength UV imaging......Fast non-destructive multi-wavelength UV imaging together with multivariate image analysis was utilized to visualize distribution of chemical components and their solid state form at compact surfaces. Amorphous and crystalline solid forms of the antidiabetic compound glibenclamide...

Participation in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater

International Nuclear Information System (INIS)

Joe, Kih Soo; Choi, Kwang Soon; Han, Sun Ho; Suh, Moo Yul; Park, Kyung Kyun; Choi, Ke Chun; Kim, Won Ho

2000-08-01

KAERI analytical laboratory participated in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater organized by IAEA Hydrology Laboratory(RAS/8/084). 13 items such as pH, electroconductivity, HCO 3 , Cl, SO 4 , NO 3 , SiO 2 , B, Li, Na, K, Ca, Mg were analyzed. The result of this program showed that KAERI laboratory was ranked within 10% range from top level. An analytical expert in KAERI attended the 'Consultants' Meeting' at IAEA headquater and prepared the guideline for chemical analysis of groundwater

Relation between chemical shift artifact and infiltration on MR imaging of renal cell carcinoma

International Nuclear Information System (INIS)

Yoshigoe, Fukuo; Makino, Hideki; Yanada, Syuichi; Ohishi, Yukihiko; Mashima, Yasuoki; Yamada, Hideo.

1994-01-01

Retrospective study on the relation between existence of the interruption and disturbance of chemical shift artifact and tumor infiltration at the periphery of the kidney on MR imaging was evaluated in 28 cases with renal cell carcinoma. Judgement was possible in 9 out of the 11 cases with pathological stage below pT2 and 14 cases out of 17 pT3 cases. Judgement was impracticable in 5 cases because the peripheral fat tissue of the kidney was too less to observe chemical shift artifact and the tumor was spreading at the side opposite to the chemical shift artifact. Chemical shift artifact on MRI in this study correlated well with renal tumor infiltration. (author)

ANALYSIS OF CHEMICAL COMPOUNDS DISTINGUISHER FOR AGARWOOD QUALITIES

Directory of Open Access Journals (Sweden)

Gunawan Trisandi Pasaribu

2015-04-01

Full Text Available Gaharu (Agarwood is described as a fragrant-smelling wood that is usually derived from the trunk of the genus Aquilaria and Gyrinops (both of the family Thymelaeaceae, which have been infected by a particular disease. Based on Indonesian National Standard, agarwood can be classified into various grades, i.e. gubal gaharu, kemedangan and serbuk gaharu. The grading system is based on the color, weight and odor. It seems that such a grading is too subjective for agarwood classification. Therefore, to minimize the subjectivity, more objective agarwood grading is required, which incorporates its chemical composition and resin content. This research was conducted focusing on the analysis of the particular grade of agarwood originating from West Sumatra. The different types of agarwood qualities are: kemedangan C, teri C, kacangan C and super AB. Initially, the obtained agarwood samples were grounded to powder, extracted on a Soxhlet extractor using various organic solvents (i.e. n-hexane, acetone, and methanol. The agarwood-acetone extracts were analyzed using GC-MS to determine its chemical composition. The results showed a positive, linier relationship in which the resin yield increased with the increase in agarwood quality grades. GC-MS analysis revealed that several sesquiterpene groups can be found in kemedangan C, teri C, kacangan C and super AB qualities. It is interesting that aromadendrene could be identified or found in all agarwood quality grades. Therefore, it is presumed that the aromadendrene compounds can act as an effective chemical distinguisher for agarwood, whereby the greater the aromadendrene content, the better is the agarwood grade.

Prompt gamma-ray spectroscopy and its use for the elemental chemical analysis

International Nuclear Information System (INIS)

Deconninck, G.; Demortier, G.; Bodart, F.

The elemental chemical analysis by nuclear techniques has been widely developed since a quarter of century. In this review the analysis by irradiation of the the sample (solid or liquid) of a majority of chemical elements by means of the charged particles and the detection during this irradiation of the gamma photons characteristic of the element are considered. After a brief account of the physical phenomena peculiar to the prompt detection of photons in comparison with the activation methods where a delayed activity is measured, a brief description of the experimental equipment for this kind of analysis is given. A comprehensive critical survey of the recent applications to the analysis of metals, semiconductors and electric insulating substances is presented. The necessary informations for the choice of the nuclear reaction to use for a specific analysis are contained in a set of tables. (AF)

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

Science.gov (United States)

Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

2014-01-01

The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

Quantum chemical calculations in the structural analysis of phloretin

Science.gov (United States)

Gómez-Zavaglia, Andrea

2009-07-01

In this work, a conformational search on the molecule of phloretin [2',4',6'-Trihydroxy-3-(4-hydroxyphenyl)-propiophenone] has been performed. The molecule of phloretin has eight dihedral angles, four of them taking part in the carbon backbone and the other four, related with the orientation of the hydroxyl groups. A systematic search involving a random variation of the dihedral angles has been used to generate input structures for the quantum chemical calculations. Calculations at the DFT(B3LYP)/6-311++G(d,p) level of theory permitted the identification of 58 local minima belonging to the C 1 symmetry point group. The molecular structures of the conformers have been analyzed using hierarchical cluster analysis. This method allowed us to group conformers according to their similarities, and thus, to correlate the conformers' stability with structural parameters. The dendrogram obtained from the hierarchical cluster analysis depicted two main clusters. Cluster I included all the conformers with relative energies lower than 25 kJ mol -1 and cluster II, the remaining conformers. The possibility of forming intramolecular hydrogen bonds resulted the main factor contributing for the stability. Accordingly, all conformers depicting intramolecular H-bonds belong to cluster I. These conformations are clearly favored when the carbon backbone is as planar as possible. The values of the νC dbnd O and νOH vibrational modes were compared among all the conformers of phloretin. The redshifts associated with intramolecular H-bonds were correlated with the H-bonds distances and energies.

Participation in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater

Energy Technology Data Exchange (ETDEWEB)

Joe, Kih Soo; Choi, Kwang Soon; Han, Sun Ho; Suh, Moo Yul; Park, Kyung Kyun; Choi, Ke Chun; Kim, Won Ho

2000-08-01

KAERI analytical laboratory participated in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater organized by IAEA Hydrology Laboratory(RAS/8/084). 13 items such as pH, electroconductivity, HCO{sub 3}, Cl, SO{sub 4}, NO{sub 3}, SiO{sub 2}, B, Li, Na, K, Ca, Mg were analyzed. The result of this program showed that KAERI laboratory was ranked within 10% range from top level. An analytical expert in KAERI attended the 'Consultants' Meeting' at IAEA headquater and prepared the guideline for chemical analysis of groundwater.

Prioritizing Environmental Chemicals for Obesity and Diabetes ...

Science.gov (United States)

Background: Diabetes and obesity are major threats to public health in the US and abroad. Understanding the role chemicals in our environment play in the development of these conditions is an emerging issue in environmental health, although identifying and prioritizing chemicals for testing beyond those already implicated in the literature is a challenge. This review is intended to help researchers generate hypotheses about chemicals potentially contributing to diabetes and obesity-related health outcomes by summarizing relevant findings from the US Environmental Protection Agency (EPA) ToxCast high-throughput screening (HTS) program. Objectives: To develop new hypotheses around environmental chemicals of potential interest for diabetes- or obesity-related outcomes using high throughput screening data. Methods: Identify ToxCast assay targets relevant to several biological processes related to diabetes and obesity (insulin sensitivity in peripheral tissue, pancreatic islet and beta cell function, adipocyte dierentiation, and feeding behavior) and present chemical screening data against those assay targets to identify chemicals of potential interest. Discussion: Results of this screening-level analysis suggest that the spectrum of environmental chemicals to consider in research related to diabetes and obesity is much broader than indicated from research papers and reviews published in the peer-reviewed literature. Testing of hypotheses based on ToxCast data will a

Device and method for enhanced collection and assay of chemicals with high surface area ceramic

Science.gov (United States)

Addleman, Raymond S.; Li, Xiaohong Shari; Chouyyok, Wilaiwan; Cinson, Anthony D.; Bays, John T.; Wallace, Krys

2016-02-16

A method and device for enhanced capture of target analytes is disclosed. This invention relates to collection of chemicals for separations and analysis. More specifically, this invention relates to a solid phase microextraction (SPME) device having better capability for chemical collection and analysis. This includes better physical stability, capacity for chemical collection, flexible surface chemistry and high affinity for target analyte.

DFT/GIAO calculations of the relative contributions of hyperconjugation to the chemical shifts of ethanol

International Nuclear Information System (INIS)

Carneiro, J. Walkimar de M.; Dias, Jacques F.; Seidl, Peter R.; Tostes, J. Glauco R.

2002-01-01

Our previous DFT/GIAO calculations on different types of alcohols reveal that the rotation of the hydroxyl group can affect the chemical shift of carbons and hydrogens close to the substituent in different ways. Besides the steric and electrostatic effects that have been widely studied, hyperconjugation with the lone pairs on oxygen of the hydroxyl group leads to changes in bond lengths and angles as well as to different charge distributions. As all three of these factors also affect chemical shifts, we undertook a systematic investigation of their relative contributions to the chemical shifts of ethanol, a molecule in which there is minimum interference among these factors. Calculations by the B3LYP method at the 6-31G(d) level for ethanol conformers corresponding to a rotation around the carbon-oxygen bond at 30 dec increments are used to show how relative contributions vary with the dihedral angle formed between the carbon-carbon and oxygen-hydrogen bonds (C-C-O-H). Largest contributions to carbon chemical shifts can be attributed to changes in bond lengths while for hydrogen chemical shifts also contribute significantly differences in charge distribution. (author)

Comprehensive Mass Analysis for Chemical Processes, a Case Study on L-Dopa Manufacture

Science.gov (United States)

To evaluate the “greenness” of chemical processes in route selection and process development, we propose a comprehensive mass analysis to inform the stakeholders from different fields. This is carried out by characterizing the mass intensity for each contributing chemical or wast...

Variability of chemical analysis of reinforcing bar produced in Saudi Arabia

Science.gov (United States)

Salman, A.; Djavanroodi, F.

2018-04-01

In view of the importance and demanding roles of steel rebar’s in the reinforced concrete structures, accurate information on the properties of the steels is important at the design stage. In the steelmaking process, production variations in chemical composition are unavoidable. The aim of this work is to study the variability of the chemical composition of reinforcing steel produced throughout the Saudi Arabia and asses the quality of steel rebar’s acoording to ASTM A615. 68 samples of ASTM A615 Grade 60 from different manufacturers were collected and tested using the Spectrometer test to obtain Chemical Compositions. EasyFit (5.6) software is utilized to conducted statistical analysis. Chemical compositions distributions and, control charts are generated for the compositions. Results showed that some compositions are above the upper line of the control chart. Finally, the analyses show that less than 3% of the steel failed to meet minimum ASTM standards for chemical composition.

Basic chemically recuperated gas turbines--power plant optimization and thermodynamics second law analysis

International Nuclear Information System (INIS)

Alves, Lourenco Gobira; Nebra, Silvia Azucena

2004-01-01

One of the proposals to increase the performance of the gas turbines is to improve chemical recuperated cycle. In this cycle, the heat in the turbine exhaust gases is used to heat and modify the chemical characteristics of the fuel. One mixture of natural gas and steam receives heat from the exhaust turbine gases; the mixture components react among themselves producing hot synthesis gas. In this work, an analysis and nonlinear optimization of the cycle were made in order to investigate the temperature and pressure influence on the global cycle performance. The chemical composition in the reformer was assumed according to chemical equilibrium equations, which presents good agreement with data from literature. The mixture of hot gases was treated like ideal gases. The maximum net profit was achieved and a thermodynamic second law analysis was made in order to detect the greatest sources of irreversibility

Predicting work-related flow in the chemical industry / Erika Maree

OpenAIRE

Maree, Erika

2008-01-01

In a new world of work characterised by competitiveness, benchmarking, technological innovation and efficiency, the South African chemical industry needs to function at an optimal level to meet the demands of its stakeholders and employees. The industry needs leadership of the highest standard and an efficient, productive workforce. The objective of this study was to determine the relationship between leader empowering behaviour, self-efficacy, job resources and work-related flow for empl...

Activation and chemical analysis of drinking water from shallow aquifers

International Nuclear Information System (INIS)

Sharma, H.K.; Mittal, V.K.; Sahota, H.S.

1991-01-01

In most of the Indian cities drinking water is drawn from shallow aqiufers with the help of hand pumps. These shallow aquifers get easilyl polluted. In the present work we have measured 20 trace elements using Neutron Activation Analysis (NAA) and 8 chemical parameters using standard chemical methods of drinking water drawn from Rajpura city. It was found that almost all water samples are highly polluted. We attribute this to unplaned disposal of industrial and domestic waste over a period of many decades. (author) 11 refs.; 1 fig.; 1 tab

Novel chemical analysis for thin films

International Nuclear Information System (INIS)

Usui, Toshio; Kamei, Masayuki; Aoki, Yuji; Morishita, Tadataka; Tanaka, Shoji

1991-01-01

Scanning electron microscopy and total-reflection-angle X-ray spectroscopy (SEM-TRAXS) was applied for fluorescence X-ray analysis of 50A- and 125A-thick Au thin films on Si(100). The intensity of the AuM line (2.15 keV) emitted from the Au thin films varied as a function of the take-off angle (θ t ) with respect to the film surface; the intensity of AuM line from the 125A-thick Au thin film was 1.5 times as large as that of SiK α line (1.74 keV) emitted from the Si substrate when θ t = 0deg-3deg, in the vicinity of a critical angle for total external reflection of the AuM line at Si (0.81deg). In addition, the intensity of the AuM line emitted from the 50A-thick Au thin film was also sufficiently strong for chemical analysis. (author)

A kinetic and equilibrium analysis of silicon carbide chemical vapor deposition on monofilaments

Science.gov (United States)

Gokoglu, S. A.; Kuczmarski, M. A.

1993-01-01

Chemical kinetics of atmospheric pressure silicon carbide (SiC) chemical vapor deposition (CVD) from dilute silane and propane source gases in hydrogen is numerically analyzed in a cylindrical upflow reactor designed for CVD on monofilaments. The chemical composition of the SiC deposit is assessed both from the calculated total fluxes of carbon and silicon and from chemical equilibrium considerations for the prevailing temperatures and species concentrations at and along the filament surface. The effects of gas and surface chemistry on the evolution of major gas phase species are considered in the analysis.

Biological and chemical removal of Cr(VI) from waste water: cost and benefit analysis.

Science.gov (United States)

Demir, Aynur; Arisoy, Münevver

2007-08-17

The objective of the present study is cost and benefit analysis of biological and chemical removal of hexavalent chromium [Cr(VI)] ions. Cost and benefit analysis were done with refer to two separate studies on removal of Cr(VI), one of heavy metals with a crucial role concerning increase in environmental pollution and disturbance of ecological balance, through biological adsorption and chemical ion-exchange. Methods of biological and chemical removal were compared with regard to their cost and percentage in chrome removal. According to the result of the comparison, cost per unit in chemical removal was calculated 0.24 euros and the ratio of chrome removal was 99.68%, whereas those of biological removal were 0.14 and 59.3% euros. Therefore, it was seen that cost per unit in chemical removal and chrome removal ratio were higher than those of biological removal method. In the current study where chrome removal is seen as immeasurable benefit in terms of human health and the environment, percentages of chrome removal were taken as measurable benefit and cost per unit of the chemicals as measurable cost.

Development of hazard analysis by critical control points (HACCP) procedures to control organic chemical hazards in the agricultural production of raw food commodities.

Science.gov (United States)

Ropkins, Karl; Ferguson, Andrew; Beck, Angus J

2003-01-01

Hazard Analysis by Critical Control Points (HACCP) is a systematic approach to the identification, assessment, and control of hazards in the food chain. Effective HACCP requires the consideration of all chemical microbiological, and physical hazards. However, current procedures focus primarily on microbiological and physical hazards, while chemical aspects of HACCP have received relatively little attention. In this article we discuss the application of HACCP to organic chemical contaminants and the problems that are likely to be encountered in agriculture. We also present generic templates for the development of organic chemical contaminant HACCP procedures for selected raw food commodities, that is, cereal crops,raw meats, and milk.

Regression analysis of a chemical reaction fouling model

International Nuclear Information System (INIS)

Vasak, F.; Epstein, N.

1996-01-01

A previously reported mathematical model for the initial chemical reaction fouling of a heated tube is critically examined in the light of the experimental data for which it was developed. A regression analysis of the model with respect to that data shows that the reference point upon which the two adjustable parameters of the model were originally based was well chosen, albeit fortuitously. (author). 3 refs., 2 tabs., 2 figs

Sample preparation for combined chemical analysis and bioassay application in water quality assessment

NARCIS (Netherlands)

Kolkman, A.; Schriks, M.; Brand, W; Bäuerlein, P.S.; van der Kooi, M.M.E.; van Doorn, R.H.; Emke, E.; Reus, A.; van der Linden, S.; de Voogt, P.; Heringa, M.B.

2013-01-01

The combination of in vitro bioassays and chemical screening can provide a powerful toolbox to determine biologically relevant compounds in water extracts. In this study, a sample preparation method is evaluated for the suitability for both chemical analysis and in vitro bioassays. A set of 39

Energy and environment efficiency analysis based on an improved environment DEA cross-model: Case study of complex chemical processes

International Nuclear Information System (INIS)

Geng, ZhiQiang; Dong, JunGen; Han, YongMing; Zhu, QunXiong

2017-01-01

Highlights: •An improved environment DEA cross-model method is proposed. •Energy and environment efficiency analysis framework of complex chemical processes is obtained. •This proposed method is efficient in energy-saving and emission reduction of complex chemical processes. -- Abstract: The complex chemical process is a high pollution and high energy consumption industrial process. Therefore, it is very important to analyze and evaluate the energy and environment efficiency of the complex chemical process. Data Envelopment Analysis (DEA) is used to evaluate the relative effectiveness of decision-making units (DMUs). However, the traditional DEA method usually cannot genuinely distinguish the effective and inefficient DMU due to its extreme or unreasonable weight distribution of input and output variables. Therefore, this paper proposes an energy and environment efficiency analysis method based on an improved environment DEA cross-model (DEACM) method. The inputs of the complex chemical process are divided into energy and non-energy inputs. Meanwhile, the outputs are divided into desirable and undesirable outputs. And then the energy and environment performance index (EEPI) based on the cross evaluation is used to represent the overall performance of each DMU. Moreover, the improvement direction of energy-saving and carbon emission reduction of each inefficiency DMU is quantitatively obtained based on the self-evaluation model of the improved environment DEACM. The results show that the improved environment DEACM method has a better effective discrimination than the original DEA method by analyzing the energy and environment efficiency of the ethylene production process in complex chemical processes, and it can obtain the potential of energy-saving and carbon emission reduction of ethylene plants, especially the improvement direction of inefficient DMUs to improve energy efficiency and reduce carbon emission.

Fragmentation pathways and structural characterization of organophosphorus compounds related to the Chemical Weapons Convention by electron ionization and electrospray ionization tandem mass spectrometry.

Science.gov (United States)

Hosseini, Seyed Esmaeil; Saeidian, Hamid; Amozadeh, Ali; Naseri, Mohammad Taghi; Babri, Mehran

2016-12-30

For unambiguous identification of Chemical Weapons Convention (CWC)-related chemicals in environmental samples, the availability of mass spectra, interpretation skills and rapid microsynthesis of suspected chemicals are essential requirements. For the first time, the electron ionization single quadrupole and electrospray ionization tandem mass spectra of a series of O-alkyl N-[bis(dimethylamino)methylidene]-P-methylphosphonamidates (Scheme 1, cpd 4) were studied for CWC verification purposes. O-Alkyl N-[bis(dimethylamino)methylidene]-P-methylphosphonamidates were prepared through a microsynthetic method and were analyzed using electron ionization and electrospray ionization mass spectrometry with gas and liquid chromatography, respectively, as MS-inlet systems. General EI and ESI fragmentation pathways were proposed and discussed, and collision-induced dissociation studies of the protonated derivatives of these compounds were performed to confirm proposed fragment ion structures by analyzing mass spectra of deuterated analogs. Mass spectrometric studies revealed some interesting fragmentation pathways during the ionization process, such as McLafferty rearrangement, hydrogen rearrangement and a previously unknown intramolecular electrophilic aromatic substitution reaction. The EI and ESI fragmentation routes of the synthesized compounds 4 were investigated with the aim of detecting and identifying CWC-related chemicals during on-site inspection and/or off-site analysis and toxic chemical destruction monitoring. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Tissue chemical analysis with muonic X-rays

International Nuclear Information System (INIS)

Hutson, R.L.; Reidy, J.J.; Springer, K.; Daniel, H.; Knowles, H.B.

1976-01-01

The stopped muon channel at the Clinton P. Anderson Meson Physics Facility (LAMPF) was used as a source of muons for studying the elemental composition of tissue with muonic X rays. The X ray spectra from several types of tissue were used to determine the amounts of carbon, nitrogen, and oxygen present. These determinations agree with the results of more conventional chemical analysis. The results show that muonic X rays offer a non-invasive technique for determining the amounts of the more abundant elements present in selected regions of the body. (orig.) [de

Student Misconceptions in Chemical Equilibrium as Related to Cognitive Level and Achievement.

Science.gov (United States)

Wheeler, Alan E.; Kass, Heidi

Reported is an investigation to determine the nature and extent of student misconceptions in chemical equilibrium and to ascertain the degree to which certain misconceptions are related to chemistry achievement and to performance on specific tasks involving cognitive transformations characteristic of the concrete and formal operational stages of…

Analysis of pharmaceutical pellets: An approach using near-infrared chemical imaging

International Nuclear Information System (INIS)

Sabin, Guilherme P.; Breitkreitz, Marcia C.; Souza, Andre M. de; Fonseca, Patricia da; Calefe, Lupercio; Moffa, Mario; Poppi, Ronei J.

2011-01-01

Highlights: → Near-Infrared Chemical Imaging was used for pellets analysis. → Distribution of the components throughout the coatings layers and core of the pellets was estimated. → Classical Least Squares (CLS) was used for calculation of the concentration maps. - Abstract: Pharmaceutical pellets are spherical or nearly spherical multi-unit dosage forms designed to optimize pharmacokinetics and pharmacodynamics features of drug release. The distribution of the pharmaceutical ingredients in the layers and core is a very important parameter for appropriate drug release, especially for pellets manufactured by the process of layer gain. Physical aspects of the sample are normally evaluated by Scanning Electron Microscopy (SEM), but it is in many cases unsuitable to provide conclusive chemical information about the distribution of the pharmaceutical ingredients in both layers and core. On the other hand, methods based on spectroscopic imaging can be very promising for this purpose. In this work, a Near-Infrared Chemical Imaging (NIR-CI) method was developed and applied to the analysis of diclophenac sodium pellets. Since all the compounds present in the sample were known in advance, Classical Least Squares (CLS) was used for calculations. The results have shown that the method was capable of providing chemical information about the distribution of the active ingredient and excipients in the core and coating layers and therefore can be complementary to SEM for the pharmaceutical development of pellets.

Analysis of pharmaceutical pellets: An approach using near-infrared chemical imaging

Energy Technology Data Exchange (ETDEWEB)

Sabin, Guilherme P.; Breitkreitz, Marcia C.; Souza, Andre M. de [Institute of Chemistry, University of Campinas, P.O. Box 6154, 13084-971 Campinas, SP (Brazil); Fonseca, Patricia da; Calefe, Lupercio; Moffa, Mario [Zelus Servicos para Industria Farmaceutica Ltda., Av. Professor Lineu Prestes n. 2242, Sao Paulo, SP (Brazil); Poppi, Ronei J., E-mail: ronei@iqm.unicamp.br [Institute of Chemistry, University of Campinas, P.O. Box 6154, 13084-971 Campinas, SP (Brazil)

2011-11-07

Highlights: {yields} Near-Infrared Chemical Imaging was used for pellets analysis. {yields} Distribution of the components throughout the coatings layers and core of the pellets was estimated. {yields} Classical Least Squares (CLS) was used for calculation of the concentration maps. - Abstract: Pharmaceutical pellets are spherical or nearly spherical multi-unit dosage forms designed to optimize pharmacokinetics and pharmacodynamics features of drug release. The distribution of the pharmaceutical ingredients in the layers and core is a very important parameter for appropriate drug release, especially for pellets manufactured by the process of layer gain. Physical aspects of the sample are normally evaluated by Scanning Electron Microscopy (SEM), but it is in many cases unsuitable to provide conclusive chemical information about the distribution of the pharmaceutical ingredients in both layers and core. On the other hand, methods based on spectroscopic imaging can be very promising for this purpose. In this work, a Near-Infrared Chemical Imaging (NIR-CI) method was developed and applied to the analysis of diclophenac sodium pellets. Since all the compounds present in the sample were known in advance, Classical Least Squares (CLS) was used for calculations. The results have shown that the method was capable of providing chemical information about the distribution of the active ingredient and excipients in the core and coating layers and therefore can be complementary to SEM for the pharmaceutical development of pellets.

Body composition of two human cadavers by neutron activation and chemical analysis

International Nuclear Information System (INIS)

Knight, G.S.; Beddoe, A.H.; Streat, S.J.; Hill, G.L.

1986-01-01

In vivo neutron activation analysis (NAA) is currently used to measure body composition in metabolic and nutritional studies in many clinical situations, but has not previously been validated by comparison with chemical analysis of human cadavers. Total body nitrogen (TBN) and chlorine (TBCl) were measured in two human cadavers by NAA before homogenization and chemical analysis (CHEM) after (cadaver 1: TBN, 1.47 NAA, 1.51 CHEM; TBCl, 0.144 NAA, 0.147 CHEM; cadaver 2: TBN, 0.576 NAA, 0.572 CHEM; TBCl, 0.0227 NAA, 0.0250 CHEM). The homogenates were also analyzed by NAA, and no significant differences were found, indicating that the effects of elemental inhomogeneity on the measurement of TBN and TBCl are insignificant. Total body water, fat, protein, minerals, and carbohydrates were measured chemically for each cadaver and compared with estimates for these compartments obtained from a body composition model, which when used in vivo involves NAA and tritium dilution. The agreement found justifies the use of the model for the measurement of changes in total body protein, water, and fat in sequential studies in groups of patients

Physio-Chemical Analysis of Industrial Effluents in parts of Edo ...

African Journals Online (AJOL)

Physio-Chemical Analysis of Industrial Effluents in parts of Edo States Nigeria. ... Journal of Applied Sciences and Environmental Management ... particularly, surface water results from all activities of man involving indiscriminate waste disposal from industry such as effluents into waterways, waste, agricultural waste, and all ...

Method for fractional solid-waste sampling and chemical analysis

DEFF Research Database (Denmark)

Riber, Christian; Rodushkin, I.; Spliid, Henrik

2007-01-01

four subsampling methods and five digestion methods, paying attention to the heterogeneity and the material characteristics of the waste fractions, it was possible to determine 61 substances with low detection limits, reasonable variance, and high accuracy. For most of the substances of environmental...... of variance (20-85% of the overall variation). Only by increasing the sample size significantly can this variance be reduced. The accuracy and short-term reproducibility of the chemical characterization were good, as determined by the analysis of several relevant certified reference materials. Typically, six...... to eight different certified reference materials representing a range of concentrations levels and matrix characteristics were included. Based on the documentation provided, the methods introduced were considered satisfactory for characterization of the chemical composition of waste-material fractions...

Chemical Analysis of the Moon at the Surveyor VII Landing Site: Preliminary Results.

Science.gov (United States)

Turkevich, A L; Franzgrote, E J; Patterson, J H

1968-10-04

The alpha-scattering experiment aboard Surveyor VII has provided a chemical analysis of the moon in the area of the crater Tycho. The preliminary results indicate a chemical composition similar to that already found at two mare sites, but with a lower concentration of elements of the iron group (titanium through copper).

Multielement analysis of reagents used in chemical identification of transuranic elements

International Nuclear Information System (INIS)

Montalvan Estrada, A.; Brigido Flores, O.; Maslov, O.D.; Dmitriev, S.N.

2006-01-01

For more than 40 years, chemical identification of transuranic elements has been used at the Laboratory of Nuclear Reactions of the Join Institute for Nuclear Research, Dubna, Russia, as a secondary method of identification. Chlorination of transuranic elements obtained by nuclear reactions is an important step of the procedure in order to obtain volatile compounds able to pass through a thermo chromatographic process. To access the quality of the reagents TiCl 4 and SOCl 2 multielement analysis was carried out using both X-rays fluorescence and gamma activation. It was followed the simplest procedure for reagents samples pretreatment, so further interferences from other chemical products were avoided. X-rays fluorescence analysis was performed in a spectrometer with Si(Li) detector with a resolution for Fe (K?) of 190 eV. Both Cd-109 and Am-241 were used as isotopic sources of excitation. Gamma activation analysis was carried out using the compact electron accelerator MT-25, where gamma rays are produced in a stopping target. Among the parameters of the MT-25 are the following: energy range-10-25 MeV, gamma-ray flux-10 14 photon/s, power consumption-20 kw. Measurements of the induced activity were performed with the help of a HPGe detector, thin and coaxial Ge(Li) detectors. There were identified two elements in SOCl 2 -Nickel (3*10 -6 g/g) and Antimony (2*10 -7 g/g), while there were identified three elements in TiCl 4 - Zirconium (8*10 -7 g/g), Arsenic (9*10 -7 g/g) and Antimony (5*10 -7 g/g). Only five elements were detected in trace concentrations in the two analyzed reagents, that is for more than 57 elements capable of being detected using gamma activation analysis with the MT-25 only 5 had concentrations above the detection limits of the method. Not being chemical analogs of the synthesized transuranic elements (Z-104 and 106) and not being able to alpha or fission disintegrations there is not expected any interference from them in the chemical

Chemical analysis for waste management in paint industries

International Nuclear Information System (INIS)

Nawaz, Z.; Naveed, S.; Shiekh, N.A.; Sagheer, K.

2005-01-01

The chemical analysis of paint industries waste has been carried out; the main emission sources are the heating of raw materials and lacquer. Also the waste from other applications and production contains high concentration of heavy metals, VOC's, COD, TDS with notable acidity and alkalinity. Based on the analysis it was observed that the major losses of production could be minimized. Further toxic effects of the waste material can be minimized. In this reference measures to minimize production losses should be adopted along with the proper management. These laboratory results also lead to the areas of emissions and waste production during manufacturing process. Solutions have been proposed for process development and integrated waste minimization. (author)

A Comprehensive Approach for Pectin Chemical and Functional Characterization

DEFF Research Database (Denmark)

de Sousa, António Felipe Gomes Teixeira

In this work, a comprehensive approach for the chemical and functional analysis of pectin was used in order to relate the different extraction conditions used to the polymer structure and the final functional (mainly gelling) properties. A wide range of methods were utilized including chemical an...

Fault detection in nonlinear chemical processes based on kernel entropy component analysis and angular structure

Energy Technology Data Exchange (ETDEWEB)

Jiang, Qingchao; Yan, Xuefeng; Lv, Zhaomin; Guo, Meijin [East China University of Science and Technology, Shanghai (China)

2013-06-15

Considering that kernel entropy component analysis (KECA) is a promising new method of nonlinear data transformation and dimensionality reduction, a KECA based method is proposed for nonlinear chemical process monitoring. In this method, an angle-based statistic is designed because KECA reveals structure related to the Renyi entropy of input space data set, and the transformed data sets are produced with a distinct angle-based structure. Based on the angle difference between normal status and current sample data, the current status can be monitored effectively. And, the confidence limit of the angle-based statistics is determined by kernel density estimation based on sample data of the normal status. The effectiveness of the proposed method is demonstrated by case studies on both a numerical process and a simulated continuous stirred tank reactor (CSTR) process. The KECA based method can be an effective method for nonlinear chemical process monitoring.

Fault detection in nonlinear chemical processes based on kernel entropy component analysis and angular structure

International Nuclear Information System (INIS)

Jiang, Qingchao; Yan, Xuefeng; Lv, Zhaomin; Guo, Meijin

2013-01-01

Considering that kernel entropy component analysis (KECA) is a promising new method of nonlinear data transformation and dimensionality reduction, a KECA based method is proposed for nonlinear chemical process monitoring. In this method, an angle-based statistic is designed because KECA reveals structure related to the Renyi entropy of input space data set, and the transformed data sets are produced with a distinct angle-based structure. Based on the angle difference between normal status and current sample data, the current status can be monitored effectively. And, the confidence limit of the angle-based statistics is determined by kernel density estimation based on sample data of the normal status. The effectiveness of the proposed method is demonstrated by case studies on both a numerical process and a simulated continuous stirred tank reactor (CSTR) process. The KECA based method can be an effective method for nonlinear chemical process monitoring

Effect of chemical peeling on the skin in relation to UV irradiation.

Science.gov (United States)

Funasaka, Yoko; Abdel-Daim, Mohamed; Kawana, Seiji; Nishigori, Chikako

2012-07-01

Chemical peeling is one of the dermatological treatments available for certain cutaneous diseases and conditions or improvement of cosmetic appearance of photoaged skin. However, it needs to be clarified whether the repetitive procedure of chemical peeling on photodamaged skin is safe and whether the different chemicals used for peeling results in similar outcomes or not. In this article, we reviewed the effect of peeling or peeling agents on the skin in relation to ultraviolet (UV) radiation. The pretreatment of peeling agents usually enhance UV sensitivity by inducing increased sunburn cell formation, lowering minimum erythematous dose and increasing cyclobutane pyrimidine dimers. However, this sensitivity is reversible and recovers to normal after 1-week discontinuation. Using animals, the chronic effect of peeling and peeling agents was shown to prevent photocarcinogenesis. There is also an in vitro study using culture cells to know the detailed mechanisms of peeling agents, especially on cell proliferation and apoptotic changes via activating signalling cascades and oxidative stress. It is important to understand the effect of peeling agents on photoaged skin and to know how to deal with UV irradiation during the application of peeling agents and treatment of chemical peeling in daily life. © 2012 John Wiley & Sons A/S.

Recurrence Relations for the Equilibrium Means of Distributions Arising in Chemical Reactions

Directory of Open Access Journals (Sweden)

E.K. Elsheikh

1997-12-01

Full Text Available In this paper we derive recurrence relations that describe how the equilibrium mean of the number molecules of a reactant varies with each of the parameters defining the initial state for four basic reversible chemical reactions. In essence, the relations provide a rationale for updating the equilibrium mean following the addition (or removal of a molecule of one of the types involved in the reaction, there being a relation for each type. With a new parameterization introduced for each reaction, the relations provide a convenient means of evaluating the means, variances and other important moments without any need to work out the underlying distributions. As an application, the relations are used to numerically assess-approximate expressions for the means and variances.

Study relating to the physico-chemical behaviour of heavy water in nuclear reactors

International Nuclear Information System (INIS)

Chenouard, J.; Dirian, G.; Roth, E.; Vignet, P.; Platzer, R.

1959-01-01

Chemical and isotope pollution, and radiolytic decomposition are the two most important ways in which heavy water becomes degraded in nuclear reactors. Chemical pollution has led to the creation of ion exchange purification loops specially designed for reactors: the report contains a description in detail of the application of this purification method in CEA research reactors, including the analysis required, results obtained, and their interpretation. The intelligence obtained on radiolytic decomposition with the same facilities is also discussed, as well as the recombination apparatus and control equipment utilized. Finally, investigation to date in the CEA on recombination circuits for power reactors is also discussed. (author) [fr

Analysis of soil chemical parameters of an uncleaned crude oil spill ...

African Journals Online (AJOL)

Analysis of soil chemical parameters of an uncleaned crude oil spill site at Biara was carried out. Soil samples were collected at 0 -15 cm and 15 – 30 cm soil depths from both polluted and unpolluted sites for analysis. Significant increase in high total hydrocarbon content (1015±80.5 – 1150±90.1 mg/kg) in polluted site was ...

Determinants of the Sensory Quality of Półgęsek in Relation to Volatile Compounds and Chemical Composition

Directory of Open Access Journals (Sweden)

Nowicka Katarzyna

2017-12-01

Full Text Available The objective of this study was to determine the sensory quality of a specific Polish traditional product made from cured and then smoked goose meat (półgęsek in relation to its volatile compounds and chemical composition. In general, the examined samples contained 66.2% water, 12.2% fat, 17.9% protein, 1.8% connective tissue, and 2.3% NaCl. Moreover, 47 volatile compounds were identified and quantified. The typical decomposition products derived from lipid oxidation, amino acid degradation, carbohydrate fermentation and microbial esterification were the main volatiles detected in all the samples. The volatiles generated by the smoking process and the ones originating from spices were also observed. The results of the sensory evaluation indicated that all the samples of the analyzed products were characterized by a high overall quality. Results of the Principal Component Analysis (PCA showed, however, that specific groups of products have their own unique sensory profile. Additionally, the sensory analysis confirmed the significant role of the chemical composition and volatile compounds in the development of the overall quality of półgęsek.

Activation and chemical analysis of drinking waters

International Nuclear Information System (INIS)

Sharma, H.K.; Mittal, V.K.; Sahota, H.S.

1989-01-01

Ground water samples from Patiala city have been analysed for 22 trace elements using neutron activation analysis and for seven chemical parameters using standard techniques. It was found that alkali and alkaline earth metals have high concentrations in all samples whereas the concentrations of toxic metals are low in the majority of samples. However, chromium and cadmium concentrations are higher in ground water taken from the industrial belt of the city. This indicates that the overall level of pollution is low, but that some measures are still needed to inhibit various industries from polluting the ground water. (author)

Multivariate Analysis of Multiple Datasets: a Practical Guide for Chemical Ecology.

Science.gov (United States)

Hervé, Maxime R; Nicolè, Florence; Lê Cao, Kim-Anh

2018-03-01

Chemical ecology has strong links with metabolomics, the large-scale study of all metabolites detectable in a biological sample. Consequently, chemical ecologists are often challenged by the statistical analyses of such large datasets. This holds especially true when the purpose is to integrate multiple datasets to obtain a holistic view and a better understanding of a biological system under study. The present article provides a comprehensive resource to analyze such complex datasets using multivariate methods. It starts from the necessary pre-treatment of data including data transformations and distance calculations, to the application of both gold standard and novel multivariate methods for the integration of different omics data. We illustrate the process of analysis along with detailed results interpretations for six issues representative of the different types of biological questions encountered by chemical ecologists. We provide the necessary knowledge and tools with reproducible R codes and chemical-ecological datasets to practice and teach multivariate methods.

Methodology for the physical and chemical exergetic analysis of steam boilers

International Nuclear Information System (INIS)

Ohijeagbon, Idehai O.; Waheed, M. Adekojo; Jekayinfa, Simeon O.

2013-01-01

This paper presents a framework of thermodynamic, energy and exergy, analyses of industrial steam boilers. Mass, energy, and exergy analysis were used to develop a methodology for evaluating thermodynamic properties, energy and exergy input and output resources in industrial steam boilers. Determined methods make available an analytic procedure for the physical and chemical exergetic analysis of steam boilers for appropriate applications. The energy and exergy efficiencies obtained for the entire boiler was 69.56% and 38.57% at standard reference state temperature of 25 °C for an evaporation ratio of 12. Chemical exergy of the material streams was considered to offer a more comprehensive detail on energy and exergy resource allocation and losses of the processes in a steam boiler. - Highlights: ► We evaluated thermodynamic properties and performance variables associated with material streams. ► We analysed resources allocation, and magnitude of exergetic losses in steam boilers. ► Chemical exergy of material streams contributed to improved exergy values. ► High operational parameter will lead to higher boiler exergy. ► Exergy destroyed was higher in the combustion as against the heat exchanging unit

Research on the chemical speciation of actinides

International Nuclear Information System (INIS)

Jung, Euo Chang; Park, K. K.; Cho, H. R.

2012-04-01

A demand for the safe and effective management of spent nuclear fuel and radioactive waste generated from nuclear power plant draws increasing attention with the growth of nuclear power industry. The objective of this project is to establish the basis of research on the actinide chemistry by using highly sensitive and advanced laser-based spectroscopic systems. Researches on the chemical speciation of actinides are prerequisite for the development of technologies related to nuclear fuel cycles, especially, such as the safe management of high level radioactive wastes and the chemical examination of irradiated nuclear fuels. For supporting these technologies, laser-based spectroscopies have been applied for the chemical speciation of actinide in aqueous solutions and the quantitative analysis of actinide isotopes in spent nuclear fuels. In this report, results on the following subjects have been summarized. Development of TRLFS technology for the chemical speciation of actinides, Development of laser-induced photo-acoustic spectroscopy (LPAS) system, Application of LIBD technology to investigate dynamic behaviors of actinides dissolution reactions, Development of nanoparticle analysis technology in groundwater using LIBD, Chemical speciation of plutonium complexes by using a LWCC system, Development of LIBS technology for the quantitative analysis of actinides, Evaluation on the chemical reactions between actinides and humic substances, Spectroscopic speciation of uranium-ligand complexes in aqueous solution, Chemical speciation of actinides adsorbed on metal oxides surfaces

DRES Database of Methods for the Analysis of Chemical Warfare Agents

National Research Council Canada - National Science Library

D'Agostino, Paul

1997-01-01

.... Update of the database continues as an ongoing effort and the DRES Database of Methods for the Analysis of Chemical Warfare Agents is available panel in hardcopy form or as a softcopy Procite or Wordperfect file...

Glass Formation, Chemical Properties and Surface Analysis of Cu-Based Bulk Metallic Glasses

Directory of Open Access Journals (Sweden)

Akihisa Inoue

2011-04-01

Full Text Available This paper reviews the influence of alloying elements Mo, Nb, Ta and Ni on glass formation and corrosion resistance of Cu-based bulk metallic glasses (BMGs. In order to obtain basic knowledge for application to the industry, corrosion resistance of the Cu–Hf–Ti–(Mo, Nb, Ta, Ni and Cu–Zr–Ag–Al–(Nb bulk glassy alloy systems in various solutions are reported in this work. Moreover, X-ray photoelectron spectroscopy (XPS analysis is performed to clarify the surface-related chemical characteristics of the alloy before and after immersion in the solutions; this has lead to a better understanding of the correlation between the surface composition and the corrosion resistance.

Implementation of the NMR CHEmical Shift Covariance Analysis (CHESCA): A Chemical Biologist's Approach to Allostery.

Science.gov (United States)

Boulton, Stephen; Selvaratnam, Rajeevan; Ahmed, Rashik; Melacini, Giuseppe

2018-01-01

Mapping allosteric sites is emerging as one of the central challenges in physiology, pathology, and pharmacology. Nuclear Magnetic Resonance (NMR) spectroscopy is ideally suited to map allosteric sites, given its ability to sense at atomic resolution the dynamics underlying allostery. Here, we focus specifically on the NMR CHEmical Shift Covariance Analysis (CHESCA), in which allosteric systems are interrogated through a targeted library of perturbations (e.g., mutations and/or analogs of the allosteric effector ligand). The atomic resolution readout for the response to such perturbation library is provided by NMR chemical shifts. These are then subject to statistical correlation and covariance analyses resulting in clusters of allosterically coupled residues that exhibit concerted responses to the common set of perturbations. This chapter provides a description of how each step in the CHESCA is implemented, starting from the selection of the perturbation library and ending with an overview of different clustering options.

The Matthew effect in environmental science publication: a bibliometric analysis of chemical substances in journal articles.

Science.gov (United States)

Grandjean, Philippe; Eriksen, Mette L; Ellegaard, Ole; Wallin, Johan A

2011-11-10

While environmental research addresses scientific questions of possible societal relevance, it is unclear to what degree research focuses on environmental chemicals in need of documentation for risk assessment purposes. In a bibliometric analysis, we used SciFinder to extract Chemical Abstract Service (CAS) numbers for chemicals addressed by publications in the 78 major environmental science journals during 2000-2009. The Web of Science was used to conduct title searches to determine long-term trends for prominent substances and substances considered in need of research attention. The 119,636 journal articles found had 760,056 CAS number links during 2000-2009. The top-20 environmental chemicals consisted of metals, (chlorinated) biphenyls, polyaromatic hydrocarbons, benzene, and ethanol and contributed 12% toward the total number of links- Each of the top-20 substances was covered by 2,000-10,000 articles during the decade. The numbers for the 10-year period were similar to the total numbers of pre-2000 articles on the same chemicals. However, substances considered a high priority from a regulatory viewpoint, due to lack of documentation, showed very low publication rates. The persistence in the scientific literature of the top-20 chemicals was only weakly related to their publication in journals with a high impact factor, but some substances achieved high citation rates. The persistence of some environmental chemicals in the scientific literature may be due to a 'Matthew' principle of maintaining prominence for the very reason of having been well researched. Such bias detracts from the societal needs for documentation on less well known environmental hazards, and it may also impact negatively on the potentials for innovation and discovery in research.

Chemical and physical structures of proteinoids and related polyamino acids

Science.gov (United States)

Mita, Hajime; Kuwahara, Yusuke; Nomoto, Shinya

Studies of polyamino acid formation pathways in the prebiotic condition are important for the study of the origins of life. Several pathways of prebiotic polyamino acid formation have been reported. Heating of monoammonium malate [1] and heating of amino acids in molten urea [2] are important pathways of the prebiotic peptide formation. The former case, globular structure called proteinoid microsphere is formed in aqueous conditions. The later case, polyamino acids are formed from unrestricted amino acid species. Heating of aqueous aspargine is also interesting pathway for the prebiotic polyamino acid formation, because polyamino acid formation proceeds in aqueous condition [3]. In this study, we analyzed the chemical structure of the proteinoids and related polyamino acids formed in the above three pathways using with mass spectrometer. In addition, their physical structures are analyzed by the electron and optical microscopes, in order to determine the self-organization abilities. We discuss the relation between the chemical and the physical structures for the origins of life. References [1] Harada, K., J. Org. Chem., 24, 1662 (1959), Fox, S. W., Harada, K., and Kendrick, J., Science, 129, 1221 (1959). [2] Terasaki, M., Nomoto, S., Mita, H., and Shimoyama, A., Chem. Lett., 480 (2002), Mita, H., Nomoto, S., Terasaki, M., Shimoyama, A., and Yamamoto, Y., Int. J. Astrobiol., 4, 145 (2005). [3] Kovacs, K and Nagy, H., Nature, 190, 531 (1961), Munegumi, T., Tanikawa, N., Mita, H. and Harada, K., Viva Origino, 22, 109 (1994).

Analysis of energy cascade utilization in a chemically recuperated scramjet with indirect combustion

International Nuclear Information System (INIS)

Qin, Jiang; Cheng, Kunlin; Zhang, Silong; Zhang, Duo; Bao, Wen; Han, Jiecai

2016-01-01

The working process of scramjet with regenerative cooling, which was actually the chemical recuperation process, was analyzed in view of energy cascade utilization. The indirect combustion was realized through pyrolysis reaction of fuel. The relative yields of thermal exergy obtained by indirect combustion have been predicted both assuming an ideal pyrolysis reaction and using the experimental results of thermal pyrolysis of n-decane. The results showed that the influence mechanism of regenerative cooling improved the scramjet engine performance by the energy cascade utilization, and the combustion process was supposed to be designed with the cooling process together to utilize the chemical energy of fuel in a more effective way. A maximum value of 11% of the relative yield was obtained with the ideal pyrolysis reaction while a value less than 3% existed in the thermal pyrolysis experiments because of the domination of chemical kinetics rather than chemical thermodynamics in the real experiments. In spite of the difference between the ideal and the present experimental results, the indirect combustion was prospective to achieve a better energy cascade utilization in a chemically recuperated scramjet if the pyrolysis reaction was further optimized. The results in this paper were beneficial for the performance optimization of a regenerative cooling scramjet. - Highlights: • A new method of energy cascade utilization in a chemically recuperated scramjet. • 11% exergy loss is reduced by ideal pyrolysis reaction with indirect combustion. • Regenerative cooling with chemical recuperation can improve engine performance.

Quantitative analysis of chemical elements in single cells using nuclear microprobe and nano-probe

International Nuclear Information System (INIS)

Deves, Guillaume

2010-01-01

The study of the role of trace elements at cellular level requires the use of state-of-the-art analytical tools that could achieve enough sensitivity and spatial resolution. We developed a new methodology for the accurate quantification of chemical element distribution in single cells based on a combination of ion beam analysis techniques STIM, PIXE and RBS. The quantification procedure relies on the development of a STIM data analysis software (Paparamborde). Validity of this methodology and limits are discussed here. The method allows the quantification of trace elements (μg/g) with a 19.8 % uncertainty in cellular compartments with mass below 0.1 ng. The main limit of the method lies in the poor number of samples that can be analyzed, due to long irradiation times required and limited access to ion beam analysis facilities. This is the reason why we developed a database for cellular chemical composition capitalization (BDC4). BDC4 has been designed in order to use cellular chemical composition as a tracer for biological activities and is expected to provide in the future reference chemical compositions for any cellular type or compartment. Application of the STIM-PIXE-RBS methodology to the study of nuclear toxicology of cobalt compounds is presented here showing that STIM analysis is absolutely needed when organic mass loss appears during PIXE-RBS irradiation. (author)

Study of Intelligent Secure Chemical Inventory Management System

Science.gov (United States)

Shukran, Mohd Afizi Mohd; Naim Abdullah, Muhammad; Nazri Ismail, Mohd; Maskat, Kamaruzaman; Isa, Mohd Rizal Mohd; Shahfee Ishak, Muhammad; Adib Khairuddin, Muhamad

2017-08-01

Chemical inventory management system has been experiencing a new revolution from traditional inventory system which is manual to an automated inventory management system. In this paper, some review of the classic and modern approaches to chemical inventory management system has been discussed. This paper also describe about both type of inventory management. After a comparative analysis of the traditional method and automated method, it can be said that both methods have some distinctive characteristics. Moreover, the automated inventory management method has higher accuracy of calculation because the calculations are handled by software, eliminating possible errors and saving time. The automated inventory system also allows users and administrators to track the availability, location and consumption of chemicals. The study of this paper can provide forceful review analysis support for the chemical inventory management related research.

Analysis and modelling of the energy consumption of chemical batch plants

Energy Technology Data Exchange (ETDEWEB)

Bieler, P.S.

2004-07-01

This report for the Swiss Federal Office of Energy (SFOE) describes two different approaches for the energy analysis and modelling of chemical batch plants. A top-down model consisting of a linear equation based on the specific energy consumption per ton of production output and the base consumption of the plant is postulated. The model is shown to be applicable to single and multi-product batches for batch plants with constant production mix and multi-purpose batch plants in which only similar chemicals are produced. For multipurpose batch plants with highly varying production processes and changing production mix, the top-down model produced inaccurate results. A bottom-up model is postulated for such plants. The results obtained are discussed that show that the electricity consumption for infrastructure equipment was significant and responsible for about 50% of total electricity consumption. The specific energy consumption for the different buildings was related to the degree of automation and the production processes. Analyses of the results of modelling are presented. More detailed analyses of the energy consumption of this apparatus group show that about 30 to 40% of steam energy is lost and thus a large potential for optimisation exists. Various potentials for making savings, ranging from elimination of reflux conditions to the development of a new heating/cooling-system for a generic batch reactor, are identified.

Relation of chemical composition of milk with the level of production stage of lactation and parity order cows crossbred

Directory of Open Access Journals (Sweden)

Jakeline Fernandes Cabral

2017-09-01

Full Text Available The aim of the study was to compare the physical and chemical composition of the raw milk of crossbred cows in different production levels and influence of parity order and stage of lactation on milk chemical composition of high producing cows. The search was conducted in the municipality of Rio Verde in southwestern Goiás, 784 samples were collected from raw milk of crossbred cows in experiment I and were divided into three levels of production. In the second experimental procedure, the samples resulted in 657 samples of raw milk, being divided into 4 stages of lactation stage of the cows and divided into eight parity order in which first-calf heifers corresponded to first order, and multiparous cows from the second until the eighth creates. For analysis of variance and mean comparison was used lineation all casualized and we used the Tukey test at 5% probability, using the software SISVAR. The different levels of production resulted in physico-chemical differences of the constituents of milk, thus the percentages found may be related not only the level but also at the stage of lactation and parity order of the animals.

Antibacterial Efficiency of Benzalkonium Chloride Base Disinfectant According To European Standard 13727, Chemical Analysis and Validation Studies

OpenAIRE

Yıldırım, Çinel; Çelenk, Veysel

2018-01-01

Antibacterial Efficiency of Benzalkonium Chloride Base Disinfectant According To European Standard 13727, Chemical Analysis and Validation Studies This study was aimed to provide principle of the chemical analyses, antibacterial efficiency test and validation procedures of the most commonly used benzalkonium chloride (BAC) base disinfectant as a biocide. Disinfectant which comprised 20 % BAC concentration was used as a prototype product and active substance was verified with chemical analysis...

Shotgun lipidomic analysis of chemically sulfated sterols compromises analytical sensitivity

DEFF Research Database (Denmark)

Casanovas, Albert; Hannibal-Bach, Hans Kristian; Jensen, Ole Nørregaard

2014-01-01

Shotgun lipidomics affords comprehensive and quantitative analysis of lipid species in cells and tissues at high-throughput [1 5]. The methodology is based on direct infusion of lipid extracts by electrospray ionization (ESI) combined with tandem mass spectrometry (MS/MS) and/or high resolution F...... low ionization efficiency in ESI [7]. For this reason, chemical derivatization procedures including acetylation [8] or sulfation [9] are commonly implemented to facilitate ionization, detection and quantification of sterols for global lipidome analysis [1-3, 10]....

Constitutive mass balance relations between chemical composition, volume, density, porosity, and strain in metasomatic hydrochemical systems: Results on weathering and pedogenesis

Science.gov (United States)

Brimhall, George H.; Dietrich, William E.

1987-03-01

Relations characterizing the chemical, physical, and mechanical changes resulting from metasomatic hydrochemical processes are developed using mass balance models which formally link chemical composition to bulk density, mineral density, volumetric properties, porosity, and amount of deformation (strain). Rigorous analysis of aqueous solute transport effects is then made possible in a variety of porous media flow environments including chemical weathering, pedogenesis (soil formation), diagenesis, ore deposition and enrichment, and metamorphism. Application of these linear constitutive relations to chemical weathering profiles shows that immobile and locally mobile chemical elements, with masses conserved on the scale of soil profiles, can be accurately identified from analysis of appropriate data arrays and then used as natural geochemical tracers to infer the nature and extent of hydrochemical weathering processes and volume changes during pedogenesis. Assumptions commonly made in the past about the supposed immobility of certain elements, e.g., Ti and Zr, become unnecessary. Quantitative differentiation between the effects of residual and supergene fractionation is then easily made. These methods are applied to Ni-rich laterites developed by weathering of ultramafic rocks, showing that during ordinary residual enrichment, Ni is concentrated by as much as 4× protolith peridotite concentrations. This occurs simply by silicate mineral dissolution and removal of chemical elements other than Ni ( e.g., Mg) with a corresponding reduction in saprolite density and increase in bulk porosity without significant deformation. In contrast, laterites with mineable concentrations of Ni which are similarly undeformed (such as the Nickel Mountain Mine in Riddle, Oregon) have experienced, in addition to residual enrichment, strong supergene enrichment by fractionation of ore elements between a leached zone from which Ni is extracted and a complementary enriched zone positioned

Chemical composition and seasonal variability of the essential oils of leaves and morphological analysis of Hyptis carpinifolia

Directory of Open Access Journals (Sweden)

Stone de Sá

Full Text Available ABSTRACT Hyptis carpinifolia Benth., Lamiaceae, is a species known popularly as "rosmaninho" and "mata-pasto", and leaves are employed in Brazilian folk medicine to treat colds, flu, and rheumatism. The aim of this study was to perform a morphological description of H. carpinifolia and to evaluate the seasonal chemical variability of the leaf essential oils during 12 months. Macroscopic characterization of H. carpinifolia was carried out with the naked eye and with a stereoscopic microscope. Essential oils were isolated from leaves by hydrodistillation in Clevenger apparatus and analyzed by gas chromatography/mass spectrometry. Major compounds were found to be 1,8-cineole (39.6-61.8%, trans-cadina-1(6,4-diene (2.8-17.5%, β-caryophyllene (4.4-10.0%, prenopsan-8-ol (4.2-9.6% and β-pinene (2.9-5.3%. Results of essential oils compositions were processed by cluster analysis and principal component analysis. Data showed high variability in the concentration of the components. Besides, there was a seasonal variability of chemical composition, probably related mainly to the rainfall regime.

Analysis of iodine chemical form noted from severe fuel damage experiments

International Nuclear Information System (INIS)

Cronenberg, A.W.; Osetek, D.J.

1986-01-01

Data from the TMI-2 accident has shown that only small amounts of iodine (I) escaped the plant. The postulated reason for such limited release is the formation of CsI (a salt) within fuel, which remains stable in a reducing high-temperature steam-H 2 environment. Upon cooldown CsI would dissolve in water condensate to form an ionic solution. However, recent data from fuel destruction experiments indicate different iodine release behavior that is tied to fuel burnup and oxidation conditions, as well as fission product concentration levels in the steam/H 2 effluent. Analysis of the data indicate that at low-burnup conditions, atomic I release from fuel is favored. Likewise, at low fission product concentration conditions HI is the favored chemical form in the steam/H 2 environment, not CsI. Results of thermochemical equilibria and chemical kinetics analysis support the data trends noted from the PBF-SFD tests. An a priori assumption of CsI for risk analysis of all accident sequences may therefore be inappropriate

Stochastic lumping analysis for linear kinetics and its application to the fluctuation relations between hierarchical kinetic networks

Energy Technology Data Exchange (ETDEWEB)

Deng, De-Ming; Chang, Cheng-Hung [Institute of Physics, National Chiao Tung University, Hsinchu 300, Taiwan (China)

2015-05-14

Conventional studies of biomolecular behaviors rely largely on the construction of kinetic schemes. Since the selection of these networks is not unique, a concern is raised whether and under which conditions hierarchical schemes can reveal the same experimentally measured fluctuating behaviors and unique fluctuation related physical properties. To clarify these questions, we introduce stochasticity into the traditional lumping analysis, generalize it from rate equations to chemical master equations and stochastic differential equations, and extract the fluctuation relations between kinetically and thermodynamically equivalent networks under intrinsic and extrinsic noises. The results provide a theoretical basis for the legitimate use of low-dimensional models in the studies of macromolecular fluctuations and, more generally, for exploring stochastic features in different levels of contracted networks in chemical and biological kinetic systems.

Stochastic lumping analysis for linear kinetics and its application to the fluctuation relations between hierarchical kinetic networks.

Science.gov (United States)

Deng, De-Ming; Chang, Cheng-Hung

2015-05-14

Conventional studies of biomolecular behaviors rely largely on the construction of kinetic schemes. Since the selection of these networks is not unique, a concern is raised whether and under which conditions hierarchical schemes can reveal the same experimentally measured fluctuating behaviors and unique fluctuation related physical properties. To clarify these questions, we introduce stochasticity into the traditional lumping analysis, generalize it from rate equations to chemical master equations and stochastic differential equations, and extract the fluctuation relations between kinetically and thermodynamically equivalent networks under intrinsic and extrinsic noises. The results provide a theoretical basis for the legitimate use of low-dimensional models in the studies of macromolecular fluctuations and, more generally, for exploring stochastic features in different levels of contracted networks in chemical and biological kinetic systems.

Designing Intelligent Secure Android Application for Effective Chemical Inventory

Science.gov (United States)

Shukran, Mohd Afizi Mohd; Naim Abdullah, Muhammad; Nazri Ismail, Mohd; Maskat, Kamaruzaman; Isa, Mohd Rizal Mohd; Shahfee Ishak, Muhammad; Adib Khairuddin, Muhamad

2017-08-01

Mobile services support various situations in everyday life and with the increasing sophistication of phone functions, the daily life is much more easier and better especially in term of managing tools and apparatus. Since chemical inventory management system has been experiencing a new revolution from antiquated to an automated inventory management system, some additional features should be added in current chemical inventory system. Parallel with the modern technologies, chemical inventory application using smart phone has been developed. Several studies about current related chemical inventory management using smart phone application has been done in this paper in order to obtain an overview on recent studies in smartphone application for chemical inventory system which are needed in schools, universities or other education institutions. This paper also discuss about designing the proposed secure mobile chemical inventory system. The study of this paper can provide forceful review analysis support for the chemical inventory management system related research.

Investigation of hydrogen content in chemically delithiated lithium-ion battery cathodes using prompt gamma activation analysis

International Nuclear Information System (INIS)

Aghara, S.K.; Alvarez II, E.; Venkatraman, S.; Manthiram, A.

2005-01-01

Lithium-ion batteries are widely used as a power source for portable electronic devices. Currently, only 50-70% of the theoretical capacity of the layered oxide cathode (positive electrode) materials could be reversibly used. The reason for this limitation is not fully understood in the literature. Recent structural and chemical characterizations of chemically delithiated (charged) cathodes suggest that loss of oxygen from the lattice may play a role in this regard. However, during the chemical delithiation process any proton inserted from the solvent could adversely affect the oxygen content analysis data. The challenge in addressing this issue is to detect and determine precisely the proton content in the chemically delithiated samples. The prompt gamma-ray activation analysis (PGAA) facility at the Nuclear Engineering Teaching Laboratory (NETL) is used to determine the proton content in the layered oxide cathode LiNi 0.5 Mn 0.5 O 2 before and after chemical delithiation. The data are compared with those obtained with Fourier transform infrared (FTIR) spectroscopy, which can provide mainly qualitative analysis. The technique has proved to be promising for these compounds and will be applied to characterize several other chemically delithiated Li 1-x Co 1-y M y O 2 (M = Cr, Mn, Fe, Ni, Cu, Mg, and Al) cathodes. (author)

Comprehensive default methodology for the analysis of exposures to mixtures of chemicals accidentally released to the atmosphere

International Nuclear Information System (INIS)

Craig, D.K.; Baskett, R.L.; Powell, T.J.; Davis, J.S.; Dukes, L.L.; Hansen, D.J.; Petrocchi, A.J.; Sutherland, P.J.

1997-01-01

Safety analysis of Department of Energy (DOE) facilities requires consideration of potential exposures to mixtures of chemicals released to the atmosphere. Exposure to chemical mixtures may lead to additive, synergistic, or antagonistic health effects. In the past, the consequences of each chemical have been analyzed separately. This approach may not adequately protect the health of persons exposed to mixtures. However, considerable time would be required to evaluate all possible mixtures. The objective of this paper is to present reasonable default methodology developed by the EFCOG Safety Analysis Working Group Nonradiological Hazardous Material Subgroup (NHMS) for use in safety analysis within the DOE Complex

Biological Sampling and Analysis in Sinclair and Dyes Inlets, Washington: Chemical Analyses for 2007 Puget Sound Biota Study

Energy Technology Data Exchange (ETDEWEB)

Brandenberger, Jill M.; Suslick, Carolynn R.; Johnston, Robert K.

2008-10-09

Evaluating spatial and temporal trends in contaminant residues in Puget Sound fish and macroinvertebrates are the objectives of the Puget Sound Ambient Monitoring Program (PSAMP). In a cooperative effort between the ENVironmental inVESTment group (ENVVEST) and Washington State Department of Fish and Wildlife, additional biota samples were collected during the 2007 PSAMP biota survey and analyzed for chemical residues and stable isotopes of carbon (δ13C) and nitrogen (δ15N). Approximately three specimens of each species collected from Sinclair Inlet, Georgia Basin, and reference locations in Puget Sound were selected for whole body chemical analysis. The muscle tissue of specimens selected for chemical analyses were also analyzed for δ13C and δ15N to provide information on relative trophic level and food sources. This data report summarizes the chemical residues for the 2007 PSAMP fish and macro-invertebrate samples. In addition, six Spiny Dogfish (Squalus acanthias) samples were necropsied to evaluate chemical residue of various parts of the fish (digestive tract, liver, embryo, muscle tissue), as well as, a weight proportional whole body composite (WBWC). Whole organisms were homogenized and analyzed for silver, arsenic, cadmium, chromium, copper, nickel, lead, zinc, mercury, 19 polychlorinated biphenyl (PCB) congeners, PCB homologues, percent moisture, percent lipids, δ13C, and δ15N.

Comparison of sodium content of workplace and homemade meals through chemical analysis and salinity measurements.

Science.gov (United States)

Shin, Eun-Kyung; Lee, Yeon-Kyung

2014-10-01

Most Koreans consume nearly 70-80% of the total sodium through their dishes. The use of a salinometer to measure salinity is recommended to help individuals control their sodium intake. The purpose of this study was to compare sodium content through chemical analysis and salinity measurement in foods served by industry foodservice operations and homemade meals. Workplace and homemade meals consumed by employees in 15 cafeterias located in 8 districts in Daegu were collected and the sodium content was measured through chemical analysis and salinity measurements and then compared. The foods were categorized into 9 types of menus with 103 workplace meals and 337 homemade meals. Workplace meals did not differ significantly in terms of sodium content per 100 g of food but had higher sodium content via chemical analysis in roasted foods per portion. Homemade meals had higher broth salt content and higher salt content by chemical analysis per 100 g of roasted foods and hard-boiled foods. One-dish workplace meals had higher salinity (P content (P content per 100 g of foods was higher in one-dish workplace meals (P content in foods and control one's sodium intake within the daily intake target as a way to promote cooking bland foods at home. However, estimated and actual measured values may differ.

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform.

Science.gov (United States)

Hanwell, Marcus D; Curtis, Donald E; Lonie, David C; Vandermeersch, Tim; Zurek, Eva; Hutchison, Geoffrey R

2012-08-13

The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible, high quality rendering, and a powerful plugin architecture. Typical uses include building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages. By using the CML file format as its native document type, Avogadro seeks to enhance the semantic accessibility of chemical data types. The work presented here details the Avogadro library, which is a framework providing a code library and application programming interface (API) with three-dimensional visualization capabilities; and has direct applications to research and education in the fields of chemistry, physics, materials science, and biology. The Avogadro application provides a rich graphical interface using dynamically loaded plugins through the library itself. The application and library can each be extended by implementing a plugin module in C++ or Python to explore different visualization techniques, build/manipulate molecular structures, and interact with other programs. We describe some example extensions, one which uses a genetic algorithm to find stable crystal structures, and one which interfaces with the PackMol program to create packed, solvated structures for molecular dynamics simulations. The 1.0 release series of Avogadro is the main focus of the results discussed here. Avogadro offers a semantic chemical builder and platform for visualization and analysis. For users, it offers an easy-to-use builder, integrated support for downloading from common databases such as PubChem and the Protein Data Bank, extracting chemical data from a wide variety of formats, including computational chemistry output, and native, semantic support for the CML file format. For developers, it can be easily extended via a powerful

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

Directory of Open Access Journals (Sweden)

Hanwell Marcus D

2012-08-01

Full Text Available Abstract Background The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible, high quality rendering, and a powerful plugin architecture. Typical uses include building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages. By using the CML file format as its native document type, Avogadro seeks to enhance the semantic accessibility of chemical data types. Results The work presented here details the Avogadro library, which is a framework providing a code library and application programming interface (API with three-dimensional visualization capabilities; and has direct applications to research and education in the fields of chemistry, physics, materials science, and biology. The Avogadro application provides a rich graphical interface using dynamically loaded plugins through the library itself. The application and library can each be extended by implementing a plugin module in C++ or Python to explore different visualization techniques, build/manipulate molecular structures, and interact with other programs. We describe some example extensions, one which uses a genetic algorithm to find stable crystal structures, and one which interfaces with the PackMol program to create packed, solvated structures for molecular dynamics simulations. The 1.0 release series of Avogadro is the main focus of the results discussed here. Conclusions Avogadro offers a semantic chemical builder and platform for visualization and analysis. For users, it offers an easy-to-use builder, integrated support for downloading from common databases such as PubChem and the Protein Data Bank, extracting chemical data from a wide variety of formats, including computational chemistry output, and native, semantic support for the CML file format

ISS Expeditions 16 through 20: Chemical Analysis Results for Potable Water

Science.gov (United States)

Straub, John E., II; Plumlee, Debrah K.; Schultz, John R.

2010-01-01

During the 2-year span from Expedition 16 through Expedition 20, the chemical quality of the potable water onboard the International Space Station (ISS) was verified safe for crew consumption through the return and chemical analysis of archival water samples by the Water and Food Analytical Laboratory (WAFAL) at Johnson Space Center (JSC). Reclaimed cabin humidity condensate and Russian ground-supplied water were the principal sources of potable water for Expeditions 16 through 18. During Expedition 18 the U.S. water processor assembly was delivered, installed, and tested during a 90-day checkout period. Beginning with Expedition 19, U.S. potable water recovered from a combined waste stream of humidity condensate and pretreated urine was also available for ISS crew use. A total of 74 potable water samples were collected using U.S. sampling hardware during Expeditions 16 through 20 and returned on both Shuttle and Soyuz vehicles. The results of JSC chemical analyses of these ISS potable water samples are presented in this paper. Eight potable water samples collected in flight with Russian hardware were also received for analysis, as well as 5 preflight samples of Rodnik potable water delivered to ISS on Russian Progress vehicles 28 to 34. Analytical results for these additional potable water samples are also reported and discussed.

The Matthew effect in environmental science publication: A bibliometric analysis of chemical substances in journal articles

Directory of Open Access Journals (Sweden)

Grandjean Philippe

2011-11-01

Full Text Available Abstract Background While environmental research addresses scientific questions of possible societal relevance, it is unclear to what degree research focuses on environmental chemicals in need of documentation for risk assessment purposes. Methods In a bibliometric analysis, we used SciFinder to extract Chemical Abstract Service (CAS numbers for chemicals addressed by publications in the 78 major environmental science journals during 2000-2009. The Web of Science was used to conduct title searches to determine long-term trends for prominent substances and substances considered in need of research attention. Results The 119,636 journal articles found had 760,056 CAS number links during 2000-2009. The top-20 environmental chemicals consisted of metals, (chlorinated biphenyls, polyaromatic hydrocarbons, benzene, and ethanol and contributed 12% toward the total number of links- Each of the top-20 substances was covered by 2,000-10,000 articles during the decade. The numbers for the 10-year period were similar to the total numbers of pre-2000 articles on the same chemicals. However, substances considered a high priority from a regulatory viewpoint, due to lack of documentation, showed very low publication rates. The persistence in the scientific literature of the top-20 chemicals was only weakly related to their publication in journals with a high impact factor, but some substances achieved high citation rates. Conclusions The persistence of some environmental chemicals in the scientific literature may be due to a 'Matthew' principle of maintaining prominence for the very reason of having been well researched. Such bias detracts from the societal needs for documentation on less well known environmental hazards, and it may also impact negatively on the potentials for innovation and discovery in research.

Material Cycles and Chemicals: Dynamic Material Flow Analysis of Contaminants in Paper Recycling

DEFF Research Database (Denmark)

Pivnenko, Kostyantyn; Laner, David; Astrup, Thomas Fruergaard

2016-01-01

material source-segregation and collection was the least effective strategy for reducing chemical contamination, if the overall recycling rates should be maintained at the current level (approximately 70% for Europe). The study provides a consistent approach for evaluating contaminant levels in material......This study provides a systematic approach for assessment of contaminants in materials for recycling. Paper recycling is used as an illustrative example. Three selected chemicals, bisphenol A (BPA), diethylhexyl phthalate (DEHP) and mineral oil hydrocarbons (MOHs), are evaluated within the paper...... cycle. The approach combines static material flow analysis (MFA) with dynamic material and substance flow modeling. The results indicate that phasing out of chemicals is the most effective measure for reducing chemical contamination. However, this scenario was also associated with a considerable lag...

Development of a robotics system for automated chemical analysis of sediments, sludges, and soils

International Nuclear Information System (INIS)

McGrail, B.P.; Dodson, M.G.; Skorpik, J.R.; Strachan, D.M.; Barich, J.J.

1989-01-01

Adaptation and use of a high-reliability robot to conduct a standard laboratory procedure for soil chemical analysis are reported. Results from a blind comparative test were used to obtain a quantitative measure of the improvement in precision possible with the automated test method. Results from the automated chemical analysis procedure were compared with values obtained from an EPA-certified lab and with results from a more extensive interlaboratory round robin conducted by the EPA. For several elements, up to fivefold improvement in precision was obtained with the automated test method

Relation between physico-chemical limnology and crustacean community in Wular Lake of Kashmir Himalaya.

Science.gov (United States)

Shah, Javaid Ahmad; Pandit, Ashok K

2013-10-01

The present study scrutinizes the seasonal variation in the distribution of crustacean zooplankton in relation to physico-chemical liminology of Wular lake. Water samples were collected from five study sites during September 2010-August 2011. Remarkable spatial and temporal variations were observed among the different study sites. Among the parameters recorded water temperature showed positive correlation with pH (p<0.01) and orthophosphate (p<0.05).Transparency showed a significant negative correlation with total alkalinity (p<0.01), free carbon dioxide (p<0.01) and ammonical nitrogen (p<0.01). Crustacean zooplankton were collected by filtering 100 L lake water through a 30 microm nytal mesh and preserved in 4% formalin. A total of 42 taxa of crustacean were recorded, among them 23 species belonged to Cladocera, 16 to Copepoda and only 3 to Ostracoda. Species diversity and density depicted an abrupt up surge on the advent of warmer period (extending from March). Among the various sites a maximum of 40 species were recorded from a single biotope (site III) against the minimum of only 17 species being recorded from site I. Bray-Curtis cluster analysis showed close similarity (0.928-0.944%) between summer and autumn in terms of species diversity. Pearson correlation coefficient of the various physico-chemical parameters of water with crustacean zooplankton depicted that not only a single but multiple factors govern over the distribution and diversity of crustacean in the lake.

Chemical analysis of plants that poison livestock: Successes, challenges, and opportunities

Science.gov (United States)

Poisonous plants have a devastating impact on the livestock industry, as well as human health. In order to fully understand the effects of poisonous plants, multiple scientific disciplines are required. Chemical analysis of plant secondary compounds is key to identifying the responsible toxins, char...

The dilemma in prioritizing chemicals for environmental analysis: known versus unknown hazards.

Science.gov (United States)

Anna, Sobek; Sofia, Bejgarn; Christina, Rudén; Magnus, Breitholtz

2016-08-10

A major challenge for society is to manage the risks posed by the many chemicals continuously emitted to the environment. All chemicals in production and use cannot be monitored and science-based strategies for prioritization are essential. In this study we review available data to investigate which substances are included in environmental monitoring programs and published research studies reporting analyses of chemicals in Baltic Sea fish between 2000 and 2012. Our aim is to contribute to the discussion of priority settings in environmental chemical monitoring and research, which is closely linked to chemical management. In total, 105 different substances or substance groups were analyzed in Baltic Sea fish. Polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans (PCDD/Fs) and polychlorinated biphenyls (PCBs) were the most studied substances or substance groups. The majority, 87%, of all analyses comprised 20% of the substances or substance groups, whereas 46 substance groups (44%) were analyzed only once. Almost three quarters of all analyses regarded a POP-substance (persistent organic pollutant). These results demonstrate that the majority of analyses on environmental contaminants in Baltic Sea fish concern a small number of already regulated chemicals. Legacy pollutants such as POPs pose a high risk to the Baltic Sea due to their hazardous properties. Yet, there may be a risk that prioritizations for chemical analyses are biased based on the knowns of the past. Such biases may lead to society failing in identifying risks posed by yet unknown hazardous chemicals. Alternative and complementary ways to identify priority chemicals are needed. More transparent communication between risk assessments performed as part of the risk assessment process within REACH and monitoring programs, and information on chemicals contained in consumer articles, would offer ways to identify chemicals for environmental analysis.

Process and device of elementary and chemical analysis of a sample through a spectral analysis of the secondary electron energies

International Nuclear Information System (INIS)

Le Gressus, Claude; Massignon, Daniel; Sopizet, Rene.

1975-01-01

The present invention relates to a method of chemical and elementary analysis of samples through a spectral analysis of secondary electrons (Auger electrons) emitted from said sample under a primary monokinetic electron beam concentrated on its surface. Said method is characterized in that the intensity of the primary monokinetic electron beam emitted from an electron gun is modulated at a frequency ω; and in that the secondary electrons of energy E emitted from the sample are then collected. A reference voltage corresponding to the modulation in intensity of the primary electron beam is applied at the input of a phase sensitive detector together with a voltage proportional to the intensity of the flux of said collected secondary electrons to obtain at the output of said detector a voltage proportional to the number of the secondary electrons of energy E. The secondary emission energy spectrum of the sample is then plotted [fr

Gas analysis during the chemical vapor deposition of carbon

International Nuclear Information System (INIS)

Lieberman, M.L.; Noles, G.T.

1973-01-01

Gas chromatographic analyses were performed during the chemical vapor deposition of carbon in both isothermal and thermal gradient systems. Such data offer insight into the gas phase processes which occur during deposition and the interrelations which exist between gas composition, deposition rate, and resultant structure of the deposit. The results support a carbon CVD model presented previously. The application of chromatographic analysis to research, development, and full-scale facilities is shown. (U.S.)

Capacitive chemical sensor

Science.gov (United States)

Manginell, Ronald P; Moorman, Matthew W; Wheeler, David R

2014-05-27

A microfabricated capacitive chemical sensor can be used as an autonomous chemical sensor or as an analyte-sensitive chemical preconcentrator in a larger microanalytical system. The capacitive chemical sensor detects changes in sensing film dielectric properties, such as the dielectric constant, conductivity, or dimensionality. These changes result from the interaction of a target analyte with the sensing film. This capability provides a low-power, self-heating chemical sensor suitable for remote and unattended sensing applications. The capacitive chemical sensor also enables a smart, analyte-sensitive chemical preconcentrator. After sorption of the sample by the sensing film, the film can be rapidly heated to release the sample for further analysis. Therefore, the capacitive chemical sensor can optimize the sample collection time prior to release to enable the rapid and accurate analysis of analytes by a microanalytical system.

Lack of value of routine analysis of cerebrospinal fluid for prediction and diagnosis of external drainage-related bacterial meningitis.

NARCIS (Netherlands)

Schade, R.P.; Schinkel, J.; Roelandse, F.W.; Geskus, R.B.; Visser, L.G.; Dijk, M.C.R.F. van; Voormolen, J.H.; Pelt, H. van; Kuijper, E.J.

2006-01-01

OBJECT: Routine microbiological and chemical analysis of cerebrospinal fluid (CSF) is often performed to diagnose external drainage-related bacterial meningitis (ED-BM) at an early stage. A cohort study was performed to investigate the value of several commonly used CSF parameters for the prediction

Lack of value of routine analysis of cerebrospinal fluid for prediction and diagnosis of external drainage-related bacterial meningitis

NARCIS (Netherlands)

Schade, RP; Schinkel, J; Roelandse, FWC; Geskus, RB; Visser, L.G.; van Dijk, J.M.C.; Voormolen, JHC; van Pelt, H; Kuijper, EJ

Object. Routine microbiological and chemical analysis of cerebrospinal fluid (CSF) is often performed to diagnose external drainage-related bacterial meningitis (ED-BM) at an early stage. A cohort study was performed to investigate the value of several commonly used CSF parameters For the prediction

Lack of value of routine analysis of cerebrospinal fluid for prediction and diagnosis of external drainage-related bacterial meningitis

NARCIS (Netherlands)

Schade, Rogier P.; Schinkel, Janke; Roelandse, Freek W. C.; Geskus, Ronald B.; Visser, Leo G.; van Dijk, J. Marc C.; van Dijk, Marc C.; Voormolen, Joan H. C.; van Pelt, Hans; Kuijper, Ed J.

2006-01-01

Routine microbiological and chemical analysis of cerebrospinal fluid (CSF) is often performed to diagnose external drainage-related bacterial meningitis (ED-BM) at an early stage. A cohort study was performed to investigate the value of several commonly used CSF parameters for the prediction and

Relations between chemical species distribution and the fluctuating activity of Vulcano (Italy)

Energy Technology Data Exchange (ETDEWEB)

Martini, M.; Legittimo, P.C.

1984-09-01

Five years of systematic observation of the fumaroles of Vulcano have permitted the detection of some compositional trends coincident with a fluctuation in temperature. A gradual decrease of CO/sub 2/, H/sub 2/S+SO/sup 2/, HF was observed with the lowering of temperature, while HCl slightly increased. These physical-chemical characteristics of the system are not readily explained as simply produced by different stages in magma degassing, and the previous hypothesis of the insignificant influence of a brackish aquifer on the fumaroles still appears a reliable working model. R-mode factor analysis allowed the differentiated role of chemical species to be distinguished for which different genetic processes can be derived. The ratios HF/HCl and SO/sub 2//H/sub 2/S are taken as indicators of the changing activity of the system, and also the available data for Usu (Japan) and Mount St. Helens (USA) are considered.

Fast analysis of narcotic drugs by optical chemical imaging

International Nuclear Information System (INIS)

Fisher, Michal; Bulatov, Vallery; Schechter, Israel

2003-01-01

A new technique is proposed for fast detection, identification and imaging of narcotic drugs in their solid phase. This technique, which requires only a tiny sample of a few microns, is based on microscopic chemical imaging. Minor sample preparation is required, and results are obtained within seconds. As far as we know, this is the most sensitive detection system available today for solid drugs. The technique can be applied for fast analysis of minute drug residues, and therefore is of considerable importance for forensic applications. It is shown that identification of drug traces in realistic matrixes is possible. Two main methods were applied in this study for detection of drugs and drug derivatives. The first method was based on direct detection and chemical imaging of the auto-fluorescence of the analyzed drugs. This method is applicable when the analyzed drug emits fluorescence under the experiment conditions, such as lysergic acid diethylamide (known as LSD). The second method was used for obtaining chemical imaging of drugs that do not fluoresce under the experiment conditions. In these cases fluorescent labeling dyes were applied to the examined samples (including the drug and the matrix). Both methods are simple and rapid, and require minor or no sample preparation at all. Detection limits are very low in the picogram range

[Extraction and analysis of chemical components of essential oil in Thymus vulgaris of tissue culture].

Science.gov (United States)

Li, Xiao-Dong; Yang, Li; Xu, Shi-Qian; Li, Jian-Guo; Cheng, Zhi-Hui; Dang, Jian-Zhang

2011-10-01

To extract the essential oils from the Seedlings, the Aseptic Seedlings and the Tissue Culture Seedlings of Thymus vulgaris and analyze their chemical components and the relative contents. The essential oils were extracted by steam distillation, the chemical components and the relative contents were identified and analyzed by gas chromatography-mass spectrometry (GC/MS) and peak area normalization method. The main chemical components of essential oil in these three samples had no significant difference, they all contained the main components of essential oil in Thymus vulgaris: Thymol, Carvacrol, o-Cymene, gamma-Terpinene, Caryophyllene et al. and only had a slight difference in the relative content. This study provides important theoretical foundation and data reference for further study on production of essential oil in thyme by tissue culture technology.

LCA of Chemicals and Chemical Products

DEFF Research Database (Denmark)

Fantke, Peter; Ernstoff, Alexi

2018-01-01

This chapter focuses on the application of Life Cycle Assessment (LCA) to evaluate the environmental performance of chemicals as well as of products and processes where chemicals play a key role. The life cycle stages of chemical products, such as pharmaceuticals drugs or plant protection products......, are discussed and differentiated into extraction of abiotic and biotic raw materials, chemical synthesis and processing, material processing, product manufacturing, professional or consumer product use, and finally end-of-life . LCA is discussed in relation to other chemicals management frameworks and concepts...... including risk assessment , green and sustainable chemistry , and chemical alternatives assessment. A large number of LCA studies focus on contrasting different feedstocks or chemical synthesis processes, thereby often conducting a cradle to (factory) gate assessment. While typically a large share...

Research on the chemical speciation of actinides

International Nuclear Information System (INIS)

Jung, Euo Chang; Park, K. K.; Cho, H. R.

2010-04-01

A demand for the safe and effective management of spent nuclear fuel and radioactive waste generated from nuclear power plant draws increasing attention with the growth of nuclear power industry. The objective of this project is to establish the basis of research on the actinide chemistry by using advanced laser-based highly sensitive spectroscopic systems. Researches on the chemical speciation of actinides are prerequisite for the development of technologies related to nuclear fuel cycles, especially, such as the safe management of high level radioactive wastes and the chemical examination of irradiated nuclear fuels. For supporting these technologies, laser-based spectroscopies have been performed for the chemical speciation of actinide in an aqueous solutions and the quantitative analysis of actinide isotopes in spent nuclear fuels. In this report, results on the following subjects have been summarized. (1) Development of TRLFS technology for chemical speciation of actinides, (2) Development of LIBD technology for measuring solubility of actinides, (3) Chemical speciation of plutonium complexes by using a LWCC system, (4) Development of LIBS technology for the quantitative analysis of actinides, (5) Development of technology for the chemical speciation of actinides by CE, (6) Evaluation on the chemical reactions between actinides and humic substances, (7) Chemical speciation of actinides adsorbed on metal oxides surfaces, (8) Determination of actinide source terms of spent nuclear fuel

Computerized crystal-chemical classification of silicates and related materials with CRYSTANA and formula notation for classified structures

International Nuclear Information System (INIS)

Klein, Hans-Joachim; Liebau, Friedrich

2008-01-01

The computer program CRYSTANA is described which implements a method for the crystal-chemical classification of silicates and related materials. This method is mainly based upon the topological structure of the connected units of a compound and can be applied when the units are built from tetrahedra as coordination polyhedra. The classification parameters and the rules which have to be applied for their determination are summarized and a formalization of the method is provided based upon a finite graph representation of the units. A description of how CRYSTANA can be used and which kind of output it produces is included. From this output crystal-chemical formulas can be derived, which differ slightly from an existing notation in order to meet recommendations of the International Union of Crystallography. - The computer program CRYSTANA is described which implements a method for the crystal-chemical classification of silicates and related materials. The implementation is based upon a graph-theoretical formalization of the classification method. An extended notation of crystal-chemical formulas is introduced. The formulas can be derived from the output of the program

Letters from China: A History of the Origins of the Chemical Analysis of Ceramics.

Science.gov (United States)

Pollard, A M

2015-02-01

This paper is an attempt to document the early history of the quantitative chemical analysis of ceramic materials in Europe, with a specific interest in the analysis of archaeological ceramics. This inevitably leads to a study of the attempts made in Europe to imitate the miraculous material--porcelain--imported from China from the fourteenth century onwards. It is clear that before the end of the eighteenth century progress was made in this endeavor by systematic but essentially trial-and-error firing of various raw materials, culminating in the successful production of European porcelain by Böttger and von Tschirnhaus in 1709. Shortly after this, letters describing the Chinese manufacture of porcelain, and, more importantly, samples of raw and fired material, began to arrive in Europe from French Jesuit missionaries, which were subjected to intense study. Following the perfection of gravimetric methods of chemical analysis in the late eighteenth century, these Chinese samples, and samples of porcelain from various European factories, were regularly analysed, particularly by Brongniart at Sèvres. Similar work was carried out on English porcelain by Simeon Shaw and Sir Arthur Church. The origins of the chemical analysis of archaeological ceramics are still somewhat obscure, but must date to the late eighteenth or early nineteenth centuries, by the likes of Vauquelin and Chaptal.

Analysis of chemical factors affecting marine ecosystem around nuclear power plant

International Nuclear Information System (INIS)

Chun, Kwan Sik; Choi, Yoon Dong; Chun, Ki Jeong; Kim, Jin Kyu; Jung, Kyeong Chai; Lee, Yeong Keun; Park, Hyo Kook

1994-06-01

The ecological data of the coastal area of Youngkwang nuclear power plant from 1987 to 1993 were comprehensively analyzed, and various physical and chemical properties of sea water and sediments were measured. Major factors affecting phytoplankton standing crops were suspended substances, nitrate, and silicate. The contents of iron, chromium, copper, and sulfur in sediments sampled from the discharge channel were slightly higher than those in the other areas. In order to qantify the chemical impacts on marine ecosystem, it is desirable that a systematic survey be made through the whole year cycle to assure the consistency and confidence of the related data. (Author)

Chemical Analysis of Whale Breath Volatiles: A Case Study for Non-Invasive Field Health Diagnostics of Marine Mammals

Directory of Open Access Journals (Sweden)

Raquel Cumeras

2014-09-01

Full Text Available We explored the feasibility of collecting exhaled breath from a moribund gray whale (Eschrichtius robustus for potential non-invasive health monitoring of marine mammals. Biogenic volatile organic compound (VOC profiling is a relatively new field of research, in which the chemical composition of breath is used to non-invasively assess the health and physiological processes on-going within an animal or human. In this study, two telescopic sampling poles were designed and tested with the primary aim of collecting whale breath exhalations (WBEs. Once the WBEs were successfully collected, they were immediately transferred onto a stable matrix sorbent through a custom manifold system. A total of two large volume WBEs were successfully captured and pre-concentrated onto two Tenax®-TA traps (one exhalation per trap. The samples were then returned to the laboratory where they were analyzed using solid phase micro extraction (SPME and gas chromatography/mass spectrometry (GC/MS. A total of 70 chemicals were identified (58 positively identified in the whale breath samples. These chemicals were also matched against a database of VOCs found in humans, and 44% of chemicals found in the whale breath are also released by healthy humans. The exhaled gray whale breath showed a rich diversity of chemicals, indicating the analysis of whale breath exhalations is a promising new field of research.

Chemical analysis of whale breath volatiles: a case study for non-invasive field health diagnostics of marine mammals.

Science.gov (United States)

Cumeras, Raquel; Cheung, William H K; Gulland, Frances; Goley, Dawn; Davis, Cristina E

2014-09-12

We explored the feasibility of collecting exhaled breath from a moribund gray whale (Eschrichtius robustus) for potential non-invasive health monitoring of marine mammals. Biogenic volatile organic compound (VOC) profiling is a relatively new field of research, in which the chemical composition of breath is used to non-invasively assess the health and physiological processes on-going within an animal or human. In this study, two telescopic sampling poles were designed and tested with the primary aim of collecting whale breath exhalations (WBEs). Once the WBEs were successfully collected, they were immediately transferred onto a stable matrix sorbent through a custom manifold system. A total of two large volume WBEs were successfully captured and pre-concentrated onto two Tenax®-TA traps (one exhalation per trap). The samples were then returned to the laboratory where they were analyzed using solid phase micro extraction (SPME) and gas chromatography/mass spectrometry (GC/MS). A total of 70 chemicals were identified (58 positively identified) in the whale breath samples. These chemicals were also matched against a database of VOCs found in humans, and 44% of chemicals found in the whale breath are also released by healthy humans. The exhaled gray whale breath showed a rich diversity of chemicals, indicating the analysis of whale breath exhalations is a promising new field of research.

Chemical analysis of minerals in granitic rocks by electron probe micro analyser

International Nuclear Information System (INIS)

Hiraoka, Yoshihiro

1994-01-01

The chemical compositions of minerals in a few granitic rocks were determined by electron probe micro analyser (EPMA). The accurate analytical data for standard feldspar groups were obtained by correcting the low analytical values of sodium and potassium that were arised from the damage in EPMA analysis. Using this method, feldspar groups and biotites in three granitic rocks gathered from Hiei, Hira and Kurama areas respectively, were analyzed. As the results, the local characteristics were observed in the kinds of feldspar groups and the chemical compositions of biotites that were contained in granitic rocks. (author)

Spatially resolved chemical analysis of cicada wings using laser-ablation electrospray ionization (LAESI) imaging mass spectrometry (IMS).

Science.gov (United States)

Román, Jessica K; Walsh, Callee M; Oh, Junho; Dana, Catherine E; Hong, Sungmin; Jo, Kyoo D; Alleyne, Marianne; Miljkovic, Nenad; Cropek, Donald M

2018-03-01

Laser-ablation electrospray ionization (LAESI) imaging mass spectrometry (IMS) is an emerging bioanalytical tool for direct imaging and analysis of biological tissues. Performing ionization in an ambient environment, this technique requires little sample preparation and no additional matrix, and can be performed on natural, uneven surfaces. When combined with optical microscopy, the investigation of biological samples by LAESI allows for spatially resolved compositional analysis. We demonstrate here the applicability of LAESI-IMS for the chemical analysis of thin, desiccated biological samples, specifically Neotibicen pruinosus cicada wings. Positive-ion LAESI-IMS accurate ion-map data was acquired from several wing cells and superimposed onto optical images allowing for compositional comparisons across areas of the wing. Various putative chemical identifications were made indicating the presence of hydrocarbons, lipids/esters, amines/amides, and sulfonated/phosphorylated compounds. With the spatial resolution capability, surprising chemical distribution patterns were observed across the cicada wing, which may assist in correlating trends in surface properties with chemical distribution. Observed ions were either (1) equally dispersed across the wing, (2) more concentrated closer to the body of the insect (proximal end), or (3) more concentrated toward the tip of the wing (distal end). These findings demonstrate LAESI-IMS as a tool for the acquisition of spatially resolved chemical information from fragile, dried insect wings. This LAESI-IMS technique has important implications for the study of functional biomaterials, where understanding the correlation between chemical composition, physical structure, and biological function is critical. Graphical abstract Positive-ion laser-ablation electrospray ionization mass spectrometry coupled with optical imaging provides a powerful tool for the spatially resolved chemical analysis of cicada wings.

Metal-assisted chemical etching of CIGS thin films for grain size analysis

Energy Technology Data Exchange (ETDEWEB)

Xue, Chaowei [Research and Development Centre, Hanergy Thin Film Power Group Limited, Chengdu (China); Loi, Huu-Ha; Duong, Anh; Parker, Magdalena [Failure Analysis Department, MiaSole Hi-Tech Corp., Santa Clara, CA (United States)

2016-09-15

Grain size of the CIGS absorber is an important monitoring factor in the CIGS solar cell manufacturing. Electron backscatter diffraction (EBSD) analysis is commonly used to perform CIGS grain size analysis in the scanning electron microscope (SEM). Although direct quantification on SEM image using the average grain intercept (AGI) method is faster and simpler than EBSD, it is hardly applicable on CIGS thin films. The challenge is that, not like polycrystalline silicon, to define grain boundaries by selective chemical etching is not easily realizable for the multi-component CIGS alloy. In this Letter, we present direct quantification of CIGS thin film grain size using the AGI method by developing metal-assisted wet chemical etching process to define CIGS grain boundaries. The calculated value is similar to EBSD result. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Final report on the sampling and analysis of sediment cores from the L-Area oil and chemical basin

Energy Technology Data Exchange (ETDEWEB)

1985-08-01

Nine vibracores were collected in the L-Area oil and chemical basin (904-83G) during late March and early April 1985. These cores were collected for analysis of the sludge on the basin floor and the underlying sediment. Several different field and laboratory analyses were performed on each three inch segment of all the cores. These included: (1) Sediment characterization; (2) Percent moisture; (3) Dry weight; (4) Spectral gamma analysis; (5) Gross alpha and beta analysis. Detailed chemical analysis were measured on selected intervals of 2 cores (LBC-5 and 6) for complete chemical characterization of the sediments. This sampling program was conducted to provide information so that a closure plan for the basin could be developed. This report describes the methods employed during the project and provide a hard copy of the analytical results from the sample analyses. Included in the appendices are copies of all field and laboratory notes taken during the project and copies of the gas chromatograms for the petroleum hydrocarbon analysis. All chemical results were also submitted on a 5-inch floppy disk.

Chemical analysis of dairy cattle feed from Brazil

International Nuclear Information System (INIS)

Luis Gustavo Cofani dos Santos; De Nadai Fernandes, E.A.; Marcio Arruda Bacchi; Lucimara Blumer; Gabriel Adrian Sarries; Fernando Barbosa Junior

2009-01-01

The bovine dairy cattle demand diets of high nutritional value being essential to know chemical composition of feed supplied to cows to achieve high levels of quality, safety and productivity of milk. Different roughages and concentrates from Minas Gerais and Rio Grande do Sul states, Brazil, were analyzed by instrumental neutron activation analysis (INAA) and inductively coupled plasma mass spectrometry (ICP-MS). Concentrate and roughage samples were differentiated by mass fractions of As, Ba, Mg, P, Rb and Sr. Samples of concentrate from both origins were differentiated by mass fractions of As, Cd, Co, Cr, Cs, Ni and Rb. (author)

Determination of air pollutants by nuclear chemical analysis

International Nuclear Information System (INIS)

Lesny, J.; Toelgyessy, J.

1975-01-01

Nuclear analytical methods are discussed with a view to their applicability in the determination of air pollutants. It is shown that some methods (use of radioactive kryptonates in automatic analyzers, application of activation analysis, X-ray fluorescence methods) are developed in theory and proven in practice in such an extent to be widely used in the near future in the control of the environment. Many other methods are becoming increasingly important for the solution of specific problems of environmental protection (such as the control of sudden environmental contamination in the proximity of chemical plants and industrial centers). (author)

Analysis of hybrid membrane and chemical absorption systems for CO2 capture

International Nuclear Information System (INIS)

Binns, Michael; Oh, Se-Young; Kwak, Dong-Hun; Kim, Jin-Kuk

2015-01-01

Amine-based absorption of CO 2 is currently the industry standard technology for capturing CO 2 emitted from power plants, refineries and other large chemical plants. However, more recently there have been a number of competing technologies under consideration, including the use of membranes for CO 2 separation and purification. We constructed and analyzed two different hybrid configurations combining and connecting chemical absorption with membrane separation. For a particular flue gas which is currently treated with amine-based chemical absorption at a pilot plant we considered and tested how membranes could be integrated to improve the performance of the CO 2 capture. In particular we looked at the CO 2 removal efficiency and the energy requirements. Sensitivity analysis was performed varying the size of the membranes and the solvent flow rate

Cosmetics chemical composition characterization by instrumental neutron activation analysis

Energy Technology Data Exchange (ETDEWEB)

Alves, Ana Paula; Pereira, Gustavo Jose; Amaral, Angela Maria; Ferreira, Andrea Vidal, E-mail: ana_allves2008@hotmail.co [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

2009-07-01

Brazil is in the third position in the world's cosmetics market. It is an expanding and growing market where new products and manufacturing processes are in a constant and steady expansion. Therefore, it is mandatory that the composition of the products is well known in order to guarantee safety and quality of daily used cosmetics. The Brazilian National Health Surveillance Agency (ANVISA) has issued a resolution, RDC No. 48, March 16, 2006, which defines a 'List of Substances which can not be used in personal hygiene products, cosmetics and perfumes'. In this work, samples of locally manufactured and imported cosmetics (lipsticks, eye shadows, etc.) were analyzed using the Instrumental Neutron Activation Analysis technique. The samples were irradiated in the TRIGA IPR-R1 reactor of the Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN), on a 100kW thermal power, with a thermal neutron fluence rate about 8x10{sup 11}ncm{sup -2}s{sup -1}. The analysis has detected the chemical elements Br, Ba, Ga, Na, K, Sc, Fe, Cr, Zn, Sm, W, La, Rb, Cs, Ta, Ge, Co, U, Ti, V, Cl, Al, Mn and Cu. The concentrations of these elements are on a range from 5 to 3000mug.g{sup -1}. Some chemical elements observed in samples (Cl, Br, Cr, U) are included at ANVISA prohibitive list. (author)

Cosmetics chemical composition characterization by instrumental neutron activation analysis

International Nuclear Information System (INIS)

Alves, Ana Paula; Pereira, Gustavo Jose; Amaral, Angela Maria; Ferreira, Andrea Vidal

2009-01-01

Brazil is in the third position in the world's cosmetics market. It is an expanding and growing market where new products and manufacturing processes are in a constant and steady expansion. Therefore, it is mandatory that the composition of the products is well known in order to guarantee safety and quality of daily used cosmetics. The Brazilian National Health Surveillance Agency (ANVISA) has issued a resolution, RDC No. 48, March 16, 2006, which defines a 'List of Substances which can not be used in personal hygiene products, cosmetics and perfumes'. In this work, samples of locally manufactured and imported cosmetics (lipsticks, eye shadows, etc.) were analyzed using the Instrumental Neutron Activation Analysis technique. The samples were irradiated in the TRIGA IPR-R1 reactor of the Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN), on a 100kW thermal power, with a thermal neutron fluence rate about 8x10 11 ncm -2 s -1 . The analysis has detected the chemical elements Br, Ba, Ga, Na, K, Sc, Fe, Cr, Zn, Sm, W, La, Rb, Cs, Ta, Ge, Co, U, Ti, V, Cl, Al, Mn and Cu. The concentrations of these elements are on a range from 5 to 3000μg.g -1 . Some chemical elements observed in samples (Cl, Br, Cr, U) are included at ANVISA prohibitive list. (author)

QSAR modeling and chemical space analysis of antimalarial compounds

Science.gov (United States)

Sidorov, Pavel; Viira, Birgit; Davioud-Charvet, Elisabeth; Maran, Uko; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

2017-05-01

Generative topographic mapping (GTM) has been used to visualize and analyze the chemical space of antimalarial compounds as well as to build predictive models linking structure of molecules with their antimalarial activity. For this, a database, including 3000 molecules tested in one or several of 17 anti- Plasmodium activity assessment protocols, has been compiled by assembling experimental data from in-house and ChEMBL databases. GTM classification models built on subsets corresponding to individual bioassays perform similarly to the earlier reported SVM models. Zones preferentially populated by active and inactive molecules, respectively, clearly emerge in the class landscapes supported by the GTM model. Their analysis resulted in identification of privileged structural motifs of potential antimalarial compounds. Projection of marketed antimalarial drugs on this map allowed us to delineate several areas in the chemical space corresponding to different mechanisms of antimalarial activity. This helped us to make a suggestion about the mode of action of the molecules populating these zones.

ANALYSIS OF THERMAL-CHEMICAL CHARACTERISTICS OF BIOMASS ENERGY PELLETS

Directory of Open Access Journals (Sweden)

Zorica Gluvakov

2014-09-01

Full Text Available In modern life conditions, when emphasis is on environmental protection and sustainable development, fuels produced from biomass are increasingly gaining in importance, and it is necessary to consider the quality of end products obtained from biomass. Based on the existing European standards, collected literature and existing laboratory methods, this paper presents results of testing individual thermal - chemical properties of biomass energy pellets after extrusion and cooling the compressed material. Analysing samples based on standard methods, data were obtained on the basis of which individual thermal-chemical properties of pellets were estimated. Comparing the obtained results with the standards and literature sources, it can be said that moisture content, ash content and calorific values are the most important parameters for quality analysis which decide on applicability and use-value of biomass energy pellets, as biofuel. This paper also shows the impact of biofuels on the quality of environmental protection. The conclusion provides a clear statement of quality of biomass energy pellets.

Activation analysis in a multitechnique study of trace element imbalances in age-related neurological diseases

International Nuclear Information System (INIS)

Ehmann, W.D.; Ding, X.X.; Khare, S.S.; Lovell, M.A.; Ni, B.F.; Tandon, L.; Vance, D.E.; Wenstrup, D.E.

1993-01-01

It has been suggested that several age-related neurological diseases such as Alzheimer's disease and amyotrophic lateral sclerosis may be related to environmental toxins. Bulk sample multielemental analyses by INAA alone are not adequate to define the role of trace elements in these diseases. A multitechnique approach has been developed that incorporates 14 MeV, instrumental reactor, radiochemical, and pre-irradiation chemical neutron activation analysis, together with laser microprobe mass spectrometry. The analytical scheme is able to provide bulk or protein normalized elemental concentrations, as well as microstructural, cellular, and subcellular localization information. (author) 21 refs.; 3 figs.; 3 tabs

Hypothalamic-mediated model for systemic lupus erythematosis: relation to hemispheric chemical dominance.

Science.gov (United States)

Kurup, Ravi Kumar; Kurup, Parameswara Achutha

2003-11-01

The isoprenoid pathway including endogenous digoxin was assessed in systemic lupus erythematosis (SLE). All the patients with SLE were right-handed/left hemispheric dominant by the dichotic listening test. This was also studied for comparison in patients with right hemispheric and left hemispheric dominance. The isoprenoid pathway was upregulated with increased digoxin synthesis in patients with SLE and in those with right hemispheric dominance. In this group of patients (i) the tryptophan catabolites were increased and the tyrosine catabolites reduced, (ii) the dolichol and glycoconjugate levels were elevated, (iii) lysosomal stability was reduced, (iv) ubiquinone levels were low and free radical levels increased, and (v) the membrane cholesterol:phospholipid ratios were increased and membrane glycoconjugates reduced. On the other hand, in patients with left hemispheric dominance the reverse patterns were obtained. The biochemical patterns obtained in SLE is similar to those obtained in left-handed/right hemispheric chemically dominant individuals. But all the patients with SLE were right-handed/left hemispheric dominant by the dichotic listening test. Hemispheric chemical dominance has no correlation with handedness or the dichotic listening test. SLE occurs in right hemispheric chemically dominant individuals, and is a reflection of altered brain function. The role of the isoprenoid pathway in the pathogenesis of SLE and its relation to hemispheric dominance is discussed.

Meta-Analysis of the Chemical and Non-Chemical Stressors Affecting Childhood Obesity

Science.gov (United States)

Worldwide, approximately 42 million children under the age of 5 years are considered overweight or obese. While much research has focused on individual behaviors impacting obesity, little research has emphasized the complex interactions of numerous chemical and non-chemical stres...

Sickness-related dysfunction in persons with self-reported multiple chemical sensitivity at four levels of severity.

Science.gov (United States)

Gibson, Pamela Reed; Vogel, Valerie M

2009-01-01

To examine quality of life outcome for persons who self-report chemical sensitivity, often referred to as multiple chemical sensitivity. Multiple chemical sensitivity is poorly understood with few providers specialising in its treatment. This lack of treatment and the ubiquity of chemicals engender severe life impacts such as job loss, financial loss, social isolation and even homelessness for persons who experience these sensitivities. Survey. We examined chemical incitants, symptoms and sickness-related behavioural dysfunction as measured by the Sickness Impact Profile in 254 persons self-identified with multiple chemical sensitivity. Chemicals rated as causing the most symptomatology in respondents were pesticide, formaldehyde, fresh paint, new carpet, diesel exhaust, perfume and air fresheners. The five highest rated symptoms in this sample were tiredness/lethargy, difficulty concentrating, muscle aches, memory difficulties and long-term fatigue. Overall mean Sickness Impact Profile score was 25.25%, showing serious impairment, with the most serious dysfunction in the categories of work (55.36%), alertness behaviour (53.45%) and recreation and pastimes (45.20%). Multiple chemical sensitivity is an important health care issue because it often includes serious dysfunction, is poorly understood by providers and poses extensive financial and treatment obstacles for those who experience it. Persons with multiple chemical sensitivity seek medical treatment in a variety of contexts and informed providers can both avoid iatrogenic harm due to medical exposures and provide any possible treatment for the chemical sensitivities. Understanding the impact of the health condition is crucial to communicate with and treat persons who experience the sensitivities.

Optical properties of the urban aerosol and their relation to chemical composition

International Nuclear Information System (INIS)

Leaderer, B.P.; Stolwijk, J.A.J.

1980-01-01

Light extinction and resulting visibility degradation in an unsaturated precipitation-free atmosphere are determined by light absorption and scattering and are caused by a complex mix of natural components and anthropogenic pollutants. The paper reviews correlation studies relating light scattering and light extinction (visibility) to concentrations of sulfate mass, nitrate mass, the remainder of the mass, and in some cases organic aerosol mass, while accounting for variations in relative humidity. It is found that sulfate aerosol mass is the dominant chemical aerosol species affecting light scattering and extinction. The dominant effect of sulfate mass on light scattering and extinction, even when sulfates account for a relatively small fraction of the total mass, results from the fact that sulfates are secondary aerosols and are mostly found in the 0.1-1.0 micron size range

Controlling organic chemical hazards in food manufacturing: a hazard analysis critical control points (HACCP) approach.

Science.gov (United States)

Ropkins, K; Beck, A J

2002-08-01

Hazard analysis by critical control points (HACCP) is a systematic approach to the identification, assessment and control of hazards. Effective HACCP requires the consideration of all hazards, i.e., chemical, microbiological and physical. However, to-date most 'in-place' HACCP procedures have tended to focus on the control of microbiological and physical food hazards. In general, the chemical component of HACCP procedures is either ignored or limited to applied chemicals, e.g., food additives and pesticides. In this paper we discuss the application of HACCP to a broader range of chemical hazards, using organic chemical contaminants as examples, and the problems that are likely to arise in the food manufacturing sector. Chemical HACCP procedures are likely to result in many of the advantages previously identified for microbiological HACCP procedures: more effective, efficient and economical than conventional end-point-testing methods. However, the high costs of analytical monitoring of chemical contaminants and a limited understanding of formulation and process optimisation as means of controlling chemical contamination of foods are likely to prevent chemical HACCP becoming as effective as microbiological HACCP.

Isotopic Abundance and Chemical Purity Analysis of Stable Isotope Deuterium Labeled Sudan I

Directory of Open Access Journals (Sweden)

CAI Yin-ping;LEI Wen;ZHENG Bo;DU Xiao-ning

2014-02-01

Full Text Available It is important that to analysis of the isotopic abundance and chemical purity of Sudan I-D5, which is the internal standard of isotope dilution mass spectrometry. The isotopic abundance of Sudan I-D5 is detected by “mass cluster” classification method and LC-MS. The repeatability and reproducibility experiments were carried out by using different mass spectrometers and different operators. The RSD was less than 0.1%, so the repeatability and reproducibility were satisfactory. The accuracy and precision of the isotopic abundance analysis method was good with the results of F test and t test. The high performance liquid chromatography (HPLC had been used for detecting the chemical purity of Sudan I-D5 as external standard method.

The antioxidative activity of plant extracts in cooked pork patties as evaluated by descriptive sensory profiling and chemical analysis.

Science.gov (United States)

Nissen, Lise R; Byrne, Derek V; Bertelsen, Grete; Skibsted, Leif H

2004-11-01

Antioxidative efficiency of extracts of rosemary, green tea, coffee and grape skin in precooked pork patties was investigated during storage under retail conditions (10 days, 4 °C, atmospheric air), using descriptive sensory profiling following reheating and quantitative measurements of hexanal, thiobarbituric acid reactive substances (TBARS) and vitamin E as indicators of lipid oxidation. The initial oxidative status of pork patties (evaluated by ANOVA) showed a significant lower level of secondary oxidation products and higher levels of vitamin E in patties with extracts incorporated, indicating that the extracts retarded lipid oxidation during processing of the meat. Data analysis for the storage study was based on qualitative overview of sensory/chemical variation by principal component analysis (PCA) and quantitative ANOVA-PLSR for determination of the relationship between design variables (days of chill-storage, extract treatment) versus sensory-chemical variables and PLSR for elucidating the predictive ability of the chemical methods for sensory terms. Lipid oxidation was seen to involve a decrease in perception of meat flavour/odour and a concomitant increase in the off-flavour/odours linseed, rancid. TBARS, hexanal and vitamin E were all significant predictive indices (Pfresh meat flavour/odour. The effect of the various extracts incorporated in the product was clearly related to the degree of lipid oxidation and an overall ranking of the antioxidative efficiency of extracts in declining order became apparent: Rosemary>Grape skin>Tea>Coffee>Reference. Furthermore, the relation between extracts and vitamin E indicated that the extracts, to some extent, interacted with the vitamin and prevented it from degrading. In conclusion, the rosemary extract displayed potential for maintaining sensory eating quality in processed pork products.

Vulnerability assessment of chemical industry facilities in South Korea based on the chemical accident history

Science.gov (United States)

Heo, S.; Lee, W. K.; Jong-Ryeul, S.; Kim, M. I.

2016-12-01

The use of chemical compounds are keep increasing because of their use in manufacturing industry. Chemical accident is growing as the consequence of the chemical use increment. Devastating damages from chemical accidents are far enough to aware people's cautious about the risk of the chemical accident. In South Korea, Gumi Hydrofluoric acid leaking accident triggered the importance of risk management and emphasized the preventing the accident over the damage reducing process after the accident occurs. Gumi accident encouraged the government data base construction relate to the chemical accident. As the result of this effort Chemical Safety-Clearing-house (CSC) have started to record the chemical accident information and damages according to the Harmful Chemical Substance Control Act (HCSC). CSC provide details information about the chemical accidents from 2002 to present. The detail informations are including title of company, address, business type, accident dates, accident types, accident chemical compounds, human damages inside of the chemical industry facilities, human damage outside of the chemical industry facilities, financial damages inside of the chemical industry facilities, and financial damages outside of the chemical industry facilities, environmental damages and response to the chemical accident. Collected the chemical accident history of South Korea from 2002 to 2015 and provide the spatial information to the each accident records based on their address. With the spatial information, compute the data on ArcGIS for the spatial-temporal analysis. The spatial-temporal information of chemical accident is organized by the chemical accident types, damages, and damages on environment and conduct the spatial proximity with local community and environmental receptors. Find the chemical accident vulnerable area of South Korea from 2002 to 2015 and add the vulnerable area of total period to examine the historically vulnerable area from the chemical accident in

Chemometrics review for chemical sensor development, task 7 report

International Nuclear Information System (INIS)

1994-05-01

This report, the seventh in a series on the evaluation of several chemical sensors for use in the U.S. Department of Energy's (DOE's) site characterization and monitoring programs, concentrates on the potential use of chemometrics techniques in analysis of sensor data. Chemometrics is the chemical discipline that uses mathematical, statistical, and other methods that employ formal logic to: design or select optimal measurement procedures and experiments and provide maximum relevant chemical information by analyzing chemical data. The report emphasizes the latter aspect. In a formal sense, two distinct phases are in chemometrics applications to analytical chemistry problems: (1) the exploratory data analysis phase and (2) the calibration and prediction phase. For use in real-world problems, it is wise to add a third aspect - the independent validation and verification phase. In practical applications, such as the ERWM work, and in order of decreasing difficulties, the most difficult tasks in chemometrics are: establishing the necessary infrastructure (to manage sampling records, data handling, and data storage and related aspects), exploring data analysis, and solving calibration problems, especially for nonlinear models. Chemometrics techniques are different for what are called zeroth-, first-, and second-order systems, and the details depend on the form of the assumed functional relationship between the measured response and the concentrations of components in mixtures. In general, linear relationships can be handled relatively easily, but nonlinear relationships can be difficult

The impact of vehicle on the relative potency of skin-sensitizing chemicals in the local lymph node assay.

Science.gov (United States)

Jowsey, Ian R; Clapp, Catherine J; Safford, Bob; Gibbons, Ben T; Basketter, David A

2008-01-01

The identification and characterization of chemicals that possess skin-sensitizing potential are typically performed using predictive tests. However, human exposure to skin-sensitizing chemicals often occurs via a matrix (vehicle) that differs from that used in these tests. It is thus important to account for the potential impact of vehicle differences when undertaking quantitative risk assessment for skin sensitization. This is achieved through the application of a specific sensitization assessment factor (SAF), scaled between 1 and 10, when identifying an acceptable exposure level. The objective of the analysis described herein is to determine the impact of vehicle differences on local lymph node assay (LLNA) EC3 values (concentrations of test chemical required to provoke a 3-fold increase in lymph node cell proliferation). Initially, the inherent variability of the LLNA was investigated by examining the reproducibility of EC3 values for 14 chemicals that have been tested more than once in the same vehicle (4:1 acetone:olive oil, AOO). This analysis reveals that the variability in EC3 value for these chemicals following multiple assessments is LLNA using at least 2 of 15 different vehicles. These data demonstrate that often the variability in EC3 values observed for a given chemical in different vehicles is no greater than the 5-fold inherent variability observed when assessing a chemical in the same vehicle on multiple occasions. However, there are examples where EC3 values for a chemical differ by a factor of more than 10 between different vehicles. These observations were often associated with an apparent underestimation of potency (higher EC3 values) with predominantly aqueous vehicles or propylene glycol. These data underscore the need to consider vehicle effects in the context of skin-sensitization risk assessments.

Chemical-genetic profile analysis of five inhibitory compounds in yeast.

Science.gov (United States)

Alamgir, Md; Erukova, Veronika; Jessulat, Matthew; Azizi, Ali; Golshani, Ashkan

2010-08-06

Chemical-genetic profiling of inhibitory compounds can lead to identification of their modes of action. These profiles can help elucidate the complex interactions between small bioactive compounds and the cell machinery, and explain putative gene function(s). Colony size reduction was used to investigate the chemical-genetic profile of cycloheximide, 3-amino-1,2,4-triazole, paromomycin, streptomycin and neomycin in the yeast Saccharomyces cerevisiae. These compounds target the process of protein biosynthesis. More than 70,000 strains were analyzed from the array of gene deletion mutant yeast strains. As expected, the overall profiles of the tested compounds were similar, with deletions for genes involved in protein biosynthesis being the major category followed by metabolism. This implies that novel genes involved in protein biosynthesis could be identified from these profiles. Further investigations were carried out to assess the activity of three profiled genes in the process of protein biosynthesis using relative fitness of double mutants and other genetic assays. Chemical-genetic profiles provide insight into the molecular mechanism(s) of the examined compounds by elucidating their potential primary and secondary cellular target sites. Our follow-up investigations into the activity of three profiled genes in the process of protein biosynthesis provided further evidence concerning the usefulness of chemical-genetic analyses for annotating gene functions. We termed these genes TAE2, TAE3 and TAE4 for translation associated elements 2-4.

A chemical profiling strategy for semi-quantitative analysis of flavonoids in Ginkgo extracts.

Science.gov (United States)

Yang, Jing; Wang, An-Qi; Li, Xue-Jing; Fan, Xue; Yin, Shan-Shan; Lan, Ke

2016-05-10

Flavonoids analysis in herbal products is challenged by their vast chemical diversity. This work aimed to develop a chemical profiling strategy for the semi-quantification of flavonoids using extracts of Ginkgo biloba L. (EGB) as an example. The strategy was based on the principle that flavonoids in EGB have an almost equivalent molecular absorption coefficient at a fixed wavelength. As a result, the molecular-contents of flavonoids were able to be semi-quantitatively determined by the molecular-concentration calibration curves of common standards and recalculated as the mass-contents with the characterized molecular weight (MW). Twenty batches of EGB were subjected to HPLC-UV/DAD/MS fingerprinting analysis to test the feasibility and reliability of this strategy. The flavonoid peaks were distinguished from the other peaks with principle component analysis and Pearson correlation analysis of the normalized UV spectrometric dataset. Each flavonoid peak was subsequently tentatively identified by the MS data to ascertain their MW. It was highlighted that the flavonoids absorption at Band-II (240-280 nm) was more suitable for the semi-quantification purpose because of the less variation compared to that at Band-I (300-380 nm). The semi-quantification was therefore conducted at 254 nm. Beyond the qualitative comparison results acquired by common chemical profiling techniques, the semi-quantitative approach presented the detailed compositional information of flavonoids in EGB and demonstrated how the adulteration of one batch was achieved. The developed strategy was believed to be useful for the advanced analysis of herbal extracts with a high flavonoid content without laborious identification and isolation of individual components. Copyright © 2016 Elsevier B.V. All rights reserved.

Standardization of Cassia spectabilis with Respect to Authenticity, Assay and Chemical Constituent Analysis

Directory of Open Access Journals (Sweden)

Angeline Torey

2010-05-01

Full Text Available Quality control standardizations of the various medicinal plants used in traditional medicine is becoming more important today in view of the commercialization of formulations based on these plants. An attempt at standardization of Cassia spectabilis leaf has been carried out with respect to authenticity, assay and chemical constituent analysis. The authentication involved many parameters, including gross morphology, microscopy of the leaves and functional group analysis by Fourier Transform Infrared (FTIR spectroscopy. The assay part of standardization involved determination of the minimum inhibitory concentration (MIC of the extract which could help assess the chemical effects and establish curative values. The MIC of the C. spectabilis leaf extracts was investigated using the Broth Dilution Method. The extracts showed a MIC value of 6.25 mg/mL, independent of the extraction time. The chemical constituent aspect of standardization involves quantification of the main chemical components in C. spectabilis. The GCMS method used for quantification of 2,4-(1H,3H-pyrimidinedione in the extract was rapid, accurate, precise, linear (R2 = 0.8685, rugged and robust. Hence this method was suitable for quantification of this component in C. spectabilis. The standardization of C. spectabilis is needed to facilitate marketing of medicinal plants, with a view to promoting the export of valuable Malaysian Traditional Medicinal plants such as C. spectabilis.

Standardization of Cassia spectabilis with respect to authenticity, assay and chemical constituent analysis.

Science.gov (United States)

Torey, Angeline; Sasidharan, Sreenivasan; Yeng, Chen; Latha, Lachimanan Yoga

2010-05-10

Quality control standardizations of the various medicinal plants used in traditional medicine is becoming more important today in view of the commercialization of formulations based on these plants. An attempt at standardization of Cassia spectabilis leaf has been carried out with respect to authenticity, assay and chemical constituent analysis. The authentication involved many parameters, including gross morphology, microscopy of the leaves and functional group analysis by Fourier Transform Infrared (FTIR) spectroscopy. The assay part of standardization involved determination of the minimum inhibitory concentration (MIC) of the extract which could help assess the chemical effects and establish curative values. The MIC of the C. spectabilis leaf extracts was investigated using the Broth Dilution Method. The extracts showed a MIC value of 6.25 mg/mL, independent of the extraction time. The chemical constituent aspect of standardization involves quantification of the main chemical components in C. spectabilis. The GCMS method used for quantification of 2,4-(1H,3H)-pyrimidinedione in the extract was rapid, accurate, precise, linear (R(2) = 0.8685), rugged and robust. Hence this method was suitable for quantification of this component in C. spectabilis. The standardization of C. spectabilis is needed to facilitate marketing of medicinal plants, with a view to promoting the export of valuable Malaysian Traditional Medicinal plants such as C. spectabilis.

Chemical analysis report 2015

International Nuclear Information System (INIS)

2015-01-01

This report highlights the results of chemical analyzes of fluorides, bromides, lithium and boron carried out at the CNESTEN DASTE in Rabat (Morocco), on behalf of Senegal. These analyzes cover 120 samples. The report presents the analytical techniques used (parameters and methods), a legend and the results tables.

Analysis of exergy loss of gasoline surrogate combustion process based on detailed chemical kinetics

International Nuclear Information System (INIS)

Sun, Hongjie; Yan, Feng; Yu, Hao; Su, W.H.

2015-01-01

Highlights: • We explored the exergy loss sources of gasoline engine like combustion process. • The model combined non-equilibrium thermodynamics with detailed chemical kinetics. • We explored effects of initial conditions on exergy loss of combustion process. • Exergy loss decreases 15% of fuel chemical exergy by design of initial conditions. • Correspondingly, the second law efficiency increases from 38.9% to 68.9%. - Abstract: Chemical reaction is the most important source of combustion irreversibility in premixed conditions, but details of the exergy loss mechanisms have not been explored yet. In this study numerical analysis based on non-equilibrium thermodynamics combined with detailed chemical kinetics is conducted to explore the exergy loss mechanism of gasoline engine like combustion process which is simplified as constant volume combustion. The fuel is represented by the common accepted gasoline surrogates which consist of four components: iso-octane (57%), n-heptane (16%), toluene (23%), and 2-pentene (4%). We find that overall exergy loss is mainly composed of three peaks along combustion generated from chemical reactions in three stages, the conversion from large fuel molecules into small molecules (as Stage 1), the H 2 O 2 loop-related reactions (as Stage 2), and the violent oxidation reactions of CO, H, and O (as Stage 3). The effects of individual combustion boundaries, including temperature, pressure, equivalence ratio, oxygen concentration, on combustion exergy loss have been widely investigated. The combined effects of combustion boundaries on the total loss of gasoline surrogates are also investigated. We find that in a gasoline engine with a compression ratio of 10, the total loss can be reduced from 31.3% to 24.3% using lean combustion. The total loss can be further reduced to 22.4% by introducing exhaust gas recirculation and boosting the inlet charge. If the compression ratio is increased to 17, the total loss can be decreased to

Modern sample preparation techniques for gas chromatography-mass spectrometry analysis of environmental markers of chemical warfare agents use

NARCIS (Netherlands)

Terzic, O.; de Voogt, P.; Banoub, J.

2014-01-01

The chapter introduces problematics of on-site chemical analysis in the investigations of past chemical warfare agents (CWA) events. An overview of primary environmental degradation pathways of CWA leading to formation of chemical markers of their use is given. Conventional and modern sample

Multivariate analysis of remote LIBS spectra using partial least squares, principal component analysis, and related techniques

Energy Technology Data Exchange (ETDEWEB)

Clegg, Samuel M [Los Alamos National Laboratory; Barefield, James E [Los Alamos National Laboratory; Wiens, Roger C [Los Alamos National Laboratory; Sklute, Elizabeth [MT HOLYOKE COLLEGE; Dyare, Melinda D [MT HOLYOKE COLLEGE

2008-01-01

Quantitative analysis with LIBS traditionally employs calibration curves that are complicated by the chemical matrix effects. These chemical matrix effects influence the LIBS plasma and the ratio of elemental composition to elemental emission line intensity. Consequently, LIBS calibration typically requires a priori knowledge of the unknown, in order for a series of calibration standards similar to the unknown to be employed. In this paper, three new Multivariate Analysis (MV A) techniques are employed to analyze the LIBS spectra of 18 disparate igneous and highly-metamorphosed rock samples. Partial Least Squares (PLS) analysis is used to generate a calibration model from which unknown samples can be analyzed. Principal Components Analysis (PCA) and Soft Independent Modeling of Class Analogy (SIMCA) are employed to generate a model and predict the rock type of the samples. These MV A techniques appear to exploit the matrix effects associated with the chemistries of these 18 samples.

Laser Applications to Chemical, Security, and Environmental Analysis: introduction to the feature issue

International Nuclear Information System (INIS)

Dreizler, Andreas; Fried, Alan; Gord, James R.

2007-01-01

This Applied Optics feature issue on Laser Applications to Chemical, Security,and Environmental Analysis (LACSEA) highlights papers presented at theLACSEA 2006 Tenth Topical Meeting sponsored by the Optical Society ofAmerica

Laser applications to chemical, security, and environmental analysis: introduction to the feature issue.

Science.gov (United States)

Seeger, Thomas; Dreier, Thomas; Chen, Weidong; Kearny, Sean; Kulatilaka, Waruna

2017-04-10

This Applied Optics feature issue on laser applications to chemical, security, and environmental analysis (LACSEA) highlights papers presented at the LACSEA 2016 Fifteenth Topical Meeting sponsored by the Optical Society of America.

Relation between chemical properties in molten acetamide and water at 98 deg. C

International Nuclear Information System (INIS)

Petit, Nicole

1972-01-01

An attempt was made to establish the relation between the chemical properties of various cations in water and in molten acetamide at 98 deg. C. A solvent always possesses properties which have some effect on the reactivity of the solute. Various types of interactions (polar, electrostatic, Van der Waals forces, and hydrogen bonds) bind the solvent molecules to the dissolved molecules and ions. Interactions between the solute species and the solvent species are designated: solvation phenomena. In addition to solvation phenomena, another but less direct type of interaction occurs: the solvated ions find themselves in a sensibly continuous medium having a dielectric constant ε which can vary considerably. As the value of the dielectric constant decreases, the electrostatic interactions between the ions increase. The variation is such that these ions can only be considered free for values of ε > 40. This is the case for acetamide and water at 98 deg. C. The solvation of a chemical species belonging to an oxido-reducing system can only be effected by comparing the behavior of such a system with a reference system relatively insensitive to changes in the solvent. The reference system used was a ferrocene-ion/ferricinium couple. The solvation of a chemical species is characterized by a variable designated: the solvation activity coefficient. The chemical and electrochemical properties of various elements (alkali elements, alkaline earths, Cu, Zn, Cd, Hg, Pb, U, Al, Ce, and Eu) in neutral or acid media in acetamide were studied using various electrochemical techniques (principally polarography). These studies led to the establishment of a table of oxido-reducing potentials for molten acetamide. Comparisons with water at 98 deg. C indicate that the metallic cations are more solvated in acetamide than in water. The evaluation of solvation activity coefficients from polarographic measurements (E 1/2 , D M ) led to an approximate estimation of the differences in behavior

Combined use of computational chemistry and chemoinformatics methods for chemical discovery

Energy Technology Data Exchange (ETDEWEB)

Sugimoto, Manabu, E-mail: sugimoto@kumamoto-u.ac.jp [Graduate School of Science and Technology, Kumamoto University, 2-39-1, Kurokami, Chuo-ku, Kumamoto 860-8555 (Japan); Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585 (Japan); CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Ideo, Toshihiro; Iwane, Ryo [Graduate School of Science and Technology, Kumamoto University, 2-39-1, Kurokami, Chuo-ku, Kumamoto 860-8555 (Japan)

2015-12-31

Data analysis on numerical data by the computational chemistry calculations is carried out to obtain knowledge information of molecules. A molecular database is developed to systematically store chemical, electronic-structure, and knowledge-based information. The database is used to find molecules related to a keyword of “cancer”. Then the electronic-structure calculations are performed to quantitatively evaluate quantum chemical similarity of the molecules. Among the 377 compounds registered in the database, 24 molecules are found to be “cancer”-related. This set of molecules includes both carcinogens and anticancer drugs. The quantum chemical similarity analysis, which is carried out by using numerical results of the density-functional theory calculations, shows that, when some energy spectra are referred to, carcinogens are reasonably distinguished from the anticancer drugs. Therefore these spectral properties are considered of as important measures for classification.

Chemical characterization of ancient pottery from the southwest Amazonia using neutron activation analysis

International Nuclear Information System (INIS)

Carvalho, Patricia R.; Munita, Casimiro S.; Neves, Eduardo G.; Zimpel, Carlos A.; Universidade de Sao Paulo

2017-01-01

The analyzes carried out in this work aims to contribute to the discussion about the ceramic objects founded in Monte Castelo's sambaqui located at Southwest Amazonia. The first study accomplished by Miller in 1980 suggests that this archaeological site is inserted in the old contexts of production of ceramics in the Amazon. Until today, there are not any physical and chemical analysis studies in this ceramics and this kind of studies may help archaeological studies performed at the sambaqui. With this purpose, this work presents a preliminary study of chemical characterization of eighty-seven ceramic samples using the Neutron Activation Analysis (NAA). The analyzed elements were: As, K, La, Lu, Na, Nd, Sm, U, Yb, Ce, Co, Cr, Cs, Eu, Fe, Hf, Rb, Sc, Ta, Tb, Th. With the purpose to study the similarity/dissimilarity between the samples cluster and discriminant analysis were used. The results showed the existence of three different chemical groups that are in agreement with the archaeological studies made by Miller which found a sequence of cultural development, with three main occupational components whose dating ranging from 8.400 to 4.000 b.P. In this way, the results of this work are in agreement with miller's studies and suggest Bacabal's phase as the oldest ceramist culture in the Southwest of the Amazon. (author)

Chemical characterization of ancient pottery from the southwest Amazonia using neutron activation analysis

Energy Technology Data Exchange (ETDEWEB)

Carvalho, Patricia R.; Munita, Casimiro S.; Neves, Eduardo G.; Zimpel, Carlos A., E-mail: camunita@ipen.br, E-mail: edgneves@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Universidade de Sao Paulo (MAE/USP), SP (Brazil). Museu de Arqueologia e Etnologia

2017-11-01

The analyzes carried out in this work aims to contribute to the discussion about the ceramic objects founded in Monte Castelo's sambaqui located at Southwest Amazonia. The first study accomplished by Miller in 1980 suggests that this archaeological site is inserted in the old contexts of production of ceramics in the Amazon. Until today, there are not any physical and chemical analysis studies in this ceramics and this kind of studies may help archaeological studies performed at the sambaqui. With this purpose, this work presents a preliminary study of chemical characterization of eighty-seven ceramic samples using the Neutron Activation Analysis (NAA). The analyzed elements were: As, K, La, Lu, Na, Nd, Sm, U, Yb, Ce, Co, Cr, Cs, Eu, Fe, Hf, Rb, Sc, Ta, Tb, Th. With the purpose to study the similarity/dissimilarity between the samples cluster and discriminant analysis were used. The results showed the existence of three different chemical groups that are in agreement with the archaeological studies made by Miller which found a sequence of cultural development, with three main occupational components whose dating ranging from 8.400 to 4.000 b.P. In this way, the results of this work are in agreement with miller's studies and suggest Bacabal's phase as the oldest ceramist culture in the Southwest of the Amazon. (author)

Identification of new candidate drugs for lung cancer using chemical-chemical interactions, chemical-protein interactions and a K-means clustering algorithm.

Science.gov (United States)

Lu, Jing; Chen, Lei; Yin, Jun; Huang, Tao; Bi, Yi; Kong, Xiangyin; Zheng, Mingyue; Cai, Yu-Dong

2016-01-01

Lung cancer, characterized by uncontrolled cell growth in the lung tissue, is the leading cause of global cancer deaths. Until now, effective treatment of this disease is limited. Many synthetic compounds have emerged with the advancement of combinatorial chemistry. Identification of effective lung cancer candidate drug compounds among them is a great challenge. Thus, it is necessary to build effective computational methods that can assist us in selecting for potential lung cancer drug compounds. In this study, a computational method was proposed to tackle this problem. The chemical-chemical interactions and chemical-protein interactions were utilized to select candidate drug compounds that have close associations with approved lung cancer drugs and lung cancer-related genes. A permutation test and K-means clustering algorithm were employed to exclude candidate drugs with low possibilities to treat lung cancer. The final analysis suggests that the remaining drug compounds have potential anti-lung cancer activities and most of them have structural dissimilarity with approved drugs for lung cancer.

Exploring the Potential for Using Inexpensive Natural Reagents Extracted from Plants to Teach Chemical Analysis

Science.gov (United States)

Hartwell, Supaporn Kradtap

2012-01-01

A number of scientific articles report on the use of natural extracts from plants as chemical reagents, where the main objective is to present the scientific applications of those natural plant extracts. The author suggests that natural reagents extracted from plants can be used as alternative low cost tools in teaching chemical analysis,…

Thermodynamic analysis of chemical heat pumps

International Nuclear Information System (INIS)

Obermeier, Jonas; Müller, Karsten; Arlt, Wolfgang

2015-01-01

Thermal energy storages and heat pump units represent an important part of high efficient renewable energy systems. By using thermally driven, reversible chemical reactions a combination of thermal energy storage and heat pump can be realized. The influences of thermophysical properties of the involved components on the efficiency of a heat pump cycle is analysed and the relevance of the thermodynamic driving force is worked out. In general, the behaviour of energetic and exergetic efficiency is contrary. In a real cycle, higher enthalpies of reaction decrease the energetic efficiency but increase the exergetic efficiency. Higher enthalpies of reaction allow for lower offsets from equilibrium state for a default thermodynamic driving force of the reaction. - Highlights: • A comprehensive efficiency analysis of gas-solid heat pumps is proposed. • Link between thermodynamic driving force and equilibrium drop is shown. • Calculation of the equilibrium drop based on thermochemical properties. • Reaction equilibria of the decomposition reaction of salt hydrates. • Contrary behavior of energetic and exergetic efficiency

Chemical Stability Analysis of Hair Cleansing Conditioners under High-Heat Conditions Experienced during Hair Styling Processes

Directory of Open Access Journals (Sweden)

Derek A. Drechsel

2018-03-01

Full Text Available Chemical stability is a key component of ensuring that a cosmetic product is safe for consumer use. The objective of this study was to evaluate the chemical stability of commercially available hair cleansing conditioners subjected to high heat stresses from the styling processes of blow drying or straightening. Two hair cleansing conditioners were subjected to temperatures of 60 °C and 185 °C to simulate the use of a blow dryer or flatiron hair straightener, respectively and analyzed via Gas Chromatography-Mass Spectrometry (GC-MS, High-Performance Liquid Chromatography-UV (HPLC and Fourier-Transform Infrared Spectroscopy (FT-IR to capture a chemical profile of the samples. The resulting spectra from matched heated and unheated samples were compared to identify any changes in chemical composition. Overall, no differences in the spectra were observed between the heated and unheated samples at both temperatures evaluated. Specifically, no new peaks were observed during analysis, indicating that no degradation products were formed. In addition, all chemicals identified during GC-MS analysis were known listed ingredients of the products. In summary, no measurable changes in chemical composition were observed in the hair cleansing conditioner samples under high-heat stress conditions. The presented analytical methods can serve as an initial screening tool to evaluate the chemical stability of a cosmetic product under conditions of anticipated use.

USE OF AMAZONIAN SPECIES FOR AGING DISTILLED BEVERAGES: PHYSICAL AND CHEMICAL WOOD ANALYSIS

Directory of Open Access Journals (Sweden)

Jonnys Paz Castro

2015-06-01

Full Text Available The process of storing liquor in wooden barrels is a practice that aims to improve the sensory characteristics, such as color, aroma and flavor, of the beverage. The quality of the liquor stored in these barrels depends on wood characteristics such as density, permeability, chemical composition, anatomy, besides the wood heat treatment used to fabricate the barrels. Brazil has a great diversity of forests, mainly in the north, in the Amazon. This region is home to thousands of tree species, but is limited to the use of only a few native species to store liquors. The objective of this study was to determine some of the physical and chemical characteristics for four Amazon wood species. The results obtained in this study will be compared with others from woods that are traditionally used for liquor storage. The species studied were angelim-pedra (Hymenolobium petraeum Ducke cumarurana (Dipteryx polyphylla (Huber Ducke, jatobá (Hymenaea courbaril L. and louro-vermelho (Nectandra rubra (Mez CK Allen. The trees were collected from Precious Woods Amazon Company forest management area, in Silves, Amazonas. Analyzes such as: concentration of extractives, lignin amount, percentage of minerals (ash and tannin content, density, elemental analysis (CHNS-O and thermal analysis were done. It was observed that the chemical composition (lignin, holocellulose and elemental analysis (percentage of C, H, N and O of the woods have significant differences. The jatobá wood presented higher tannin content, and in the thermal analysis, was that which had the lowest mass loss.

Chemical Fingerprint Analysis and Quantitative Analysis of Rosa rugosa by UPLC-DAD

Directory of Open Access Journals (Sweden)

Sanawar Mansur

2016-12-01

Full Text Available A method based on ultra performance liquid chromatography with a diode array detector (UPLC-DAD was developed for quantitative analysis of five active compounds and chemical fingerprint analysis of Rosa rugosa. Ten batches of R. rugosa collected from different plantations in the Xinjiang region of China were used to establish the fingerprint. The feasibility and advantages of the used UPLC fingerprint were verified for its similarity evaluation by systematically comparing chromatograms with professional analytical software recommended by State Food and Drug Administration (SFDA of China. In quantitative analysis, the five compounds showed good regression (R2 = 0.9995 within the test ranges, and the recovery of the method was in the range of 94.2%–103.8%. The similarities of liquid chromatography fingerprints of 10 batches of R. rugosa were more than 0.981. The developed UPLC fingerprint method is simple, reliable, and validated for the quality control and identification of R. rugosa. Additionally, simultaneous quantification of five major bioactive ingredients in the R. rugosa samples was conducted to interpret the consistency of the quality test. The results indicated that the UPLC fingerprint, as a characteristic distinguishing method combining similarity evaluation and quantification analysis, can be successfully used to assess the quality and to identify the authenticity of R. rugosa.

Chemical Differentiation of Osseous, Dental, and Non-skeletal Materials in Forensic Anthropology using Elemental Analysis.

Science.gov (United States)

Zimmerman, Heather A; Meizel-Lambert, Cayli J; Schultz, John J; Sigman, Michael E

2015-03-01

Forensic anthropologists are generally able to identify skeletal materials (bone and tooth) using gross anatomical features; however, highly fragmented or taphonomically altered materials may be problematic to identify. Several chemical analysis techniques have been shown to be reliable laboratory methods that can be used to determine if questionable fragments are osseous, dental, or non-skeletal in nature. The purpose of this review is to provide a detailed background of chemical analysis techniques focusing on elemental compositions that have been assessed for use in differentiating osseous, dental, and non-skeletal materials. More recently, chemical analysis studies have also focused on using the elemental composition of osseous/dental materials to evaluate species and provide individual discrimination, but have generally been successful only in small, closed groups, limiting their use forensically. Despite significant advances incorporating a variety of instruments, including handheld devices, further research is necessary to address issues in standardization, error rates, and sample size/diversity. Copyright © 2014 Forensic Science Society. Published by Elsevier Ireland Ltd. All rights reserved.

Imaging, structural, and chemical analysis of silicon nanowires

International Nuclear Information System (INIS)

Barsotti, R.J. Jr.; Fischer, J.E.; Lee, C.H.; Mahmood, J.; Adu, C.K.W.; Eklund, P.C.

2002-01-01

Laser ablation has been used to grow silicon nanowires with an average silicon crystal core diameter of 6.7 nm±2.9 nm surrounded by an amorphous SiO x sheath of 1-2 nm, the smallest silicon wires reported in the literature. Imaging, chemical, and structural analysis of these wires are reported. Due to the growth temperature and the presence of calcium impurities and trace oxygen, two distinct types of wires are found. They appear to grow by two different processes. One requires a metal catalyst, the other is catalyzed by oxygen. Suggestions for controlled synthesis based on these growth mechanisms are made

Comparative analysis of pharmaceuticals versus industrial chemicals acute aquatic toxicity classification according to the United Nations classification system for chemicals. Assessment of the (Q)SAR predictability of pharmaceuticals acute aquatic toxicity and their predominant acute toxic mode-of-action

DEFF Research Database (Denmark)

Sanderson, Hans; Thomsen, Marianne

2009-01-01

data. Pharmaceuticals were found to be more frequent than industrial chemicals in GHS category III. Acute toxicity was predictable (>92%) using a generic (Q)SAR ((Quantitative) Structure Activity Relationship) suggesting a narcotic MOA. Analysis of model prediction error suggests that 68...... a comprehensive database based on OECD's standardized measured ecotoxicological data and to evaluate if there is generally cause of greater concern with regards to pharmaceutical aquatic toxicological profiles relative to industrial chemicals. Comparisons were based upon aquatic ecotoxicity classification under...... the United Nations Global Harmonized System for classification and labeling of chemicals (GHS). Moreover, we statistically explored whether the predominant mode-of-action (MOA) for pharmaceuticals is narcosis. We found 275 pharmaceuticals with 569 acute aquatic effect data; 23 pharmaceuticals had chronic...

The relation between repair of DNA and radiation and chemical mutagenesis in Saccharomyces cerevisiae

International Nuclear Information System (INIS)

Prakash, L.

1976-01-01

The effect of various genes involved in DNA repair functions on radiation and chemical mutagenesis in Escherichia coli is discussed and compared to similar studies done in yeast. Results of the effect of various genes conferring radiation-sensitivty on mutation induction in yeast are presented and related to current ideas of mutagenesis

Selective chemical stripping

Science.gov (United States)

Malavallon, Olivier

1995-04-01

At the end of the 80's, some of the large European airlines expressed a wish for paint systems with improved strippability on their aircraft, allowing the possibility to strip down to the primer without altering it, using 'mild' chemical strippers based on methylene chloride. These improvements were initially intended to reduce costs and stripping cycle times while facilitating rapid repainting, and this without the need to change the conventionally used industrial facilities. The level of in-service performance of these paint systems was to be the same as the previous ones. Requirements related to hygiene safety and the environment were added to these initial requirements. To meet customers' expectations, Aerospatiale, within the Airbus Industry GIE, formed a work group. This group was given the task of specifying, following up the elaboration and qualifying the paint systems allowing requirements to be met, in relation with the paint suppliers and the airlines. The analysis made in this report showed the interest of transferring as far upstream as possible (to paint conception level) most of the technical constraints related to stripping. Thus, the concept retained for the paint system, allowing selective chemical stripping, is a 3-coat system with characteristics as near as possible to the previously used paints.

Chemical-genetic profile analysis of five inhibitory compounds in yeast

Directory of Open Access Journals (Sweden)

Alamgir Md

2010-08-01

Full Text Available Abstract Background Chemical-genetic profiling of inhibitory compounds can lead to identification of their modes of action. These profiles can help elucidate the complex interactions between small bioactive compounds and the cell machinery, and explain putative gene function(s. Results Colony size reduction was used to investigate the chemical-genetic profile of cycloheximide, 3-amino-1,2,4-triazole, paromomycin, streptomycin and neomycin in the yeast Saccharomyces cerevisiae. These compounds target the process of protein biosynthesis. More than 70,000 strains were analyzed from the array of gene deletion mutant yeast strains. As expected, the overall profiles of the tested compounds were similar, with deletions for genes involved in protein biosynthesis being the major category followed by metabolism. This implies that novel genes involved in protein biosynthesis could be identified from these profiles. Further investigations were carried out to assess the activity of three profiled genes in the process of protein biosynthesis using relative fitness of double mutants and other genetic assays. Conclusion Chemical-genetic profiles provide insight into the molecular mechanism(s of the examined compounds by elucidating their potential primary and secondary cellular target sites. Our follow-up investigations into the activity of three profiled genes in the process of protein biosynthesis provided further evidence concerning the usefulness of chemical-genetic analyses for annotating gene functions. We termed these genes TAE2, TAE3 and TAE4 for translation associated elements 2-4.

Description and evaluation of the Model for Ozone and Related chemical Tracers, version 4 (MOZART-4

Directory of Open Access Journals (Sweden)

L. K. Emmons

2010-01-01

Full Text Available The Model for Ozone and Related chemical Tracers, version 4 (MOZART-4 is an offline global chemical transport model particularly suited for studies of the troposphere. The updates of the model from its previous version MOZART-2 are described, including an expansion of the chemical mechanism to include more detailed hydrocarbon chemistry and bulk aerosols. Online calculations of a number of processes, such as dry deposition, emissions of isoprene and monoterpenes and photolysis frequencies, are now included. Results from an eight-year simulation (2000–2007 are presented and evaluated. The MOZART-4 source code and standard input files are available for download from the NCAR Community Data Portal (http://cdp.ucar.edu.

Techniques for SMM/THz Chemical Analysis: Investigations and Exploitation of the Large Molecule Limit

Science.gov (United States)

2014-03-03

SECURITY CLASSIFICATION OF: It has long been recognized that the SMM /THz has a unique combinations of attributes that make it attractive as a basis for...applicability of SMM chemical sensors; the second is to explore infrared – SMM double resonance as a basis for atmospheric remote sensing; and the third...2014 12-Aug-2009 11-Aug-2013 Approved for Public Release; Distribution Unlimited Techniques for SMM /THz Chemical Analysis: Investigations and

Thai students' mental model of chemical bonding

Science.gov (United States)

Sarawan, Supawadee; Yuenyong, Chokchai

2018-01-01

This Research was finding the viewing about concept of chemical bonding is fundamental to subsequent learning of various other topics related to this concept in chemistry. Any conceptions about atomic structures that students have will be shown their further learning. The purpose of this study is to interviews conceptions held by high school chemistry students about metallic bonding and to reveal mental model of atomic structures show according to the educational level. With this aim, the questionnaire prepared making use of the literature and administered for analysis about mental model of chemical bonding. It was determined from the analysis of answers of questionnaire the 10th grade, 11th grade and 12th grade students. Finally, each was shown prompts in the form of focus cards derived from curriculum material that showed ways in which the bonding in specific metallic substances had been depicted. Students' responses revealed that learners across all three levels prefer simple, realistic mental models for metallic bonding and reveal to chemical bonding.

Chemical hazards analysis of resilient flooring for healthcare.

Science.gov (United States)

Lent, Tom; Silas, Julie; Vallette, Jim

2010-01-01

This article addresses resilient flooring, evaluating the potential health effects of vinyl flooring and the leading alternatives-synthetic rubber, polyolefin, and linoleum-currently used in the healthcare marketplace. The study inventories chemicals incorporated as components of each of the four material types or involved in their life cycle as feedstocks, intermediary chemicals, or emissions. It then characterizes those chemicals using a chemical hazard-based framework that addresses persistence and bioaccumulation, human toxicity, and human exposures.

Characterization of soil chemical properties of strawberry fields using principal component analysis

Directory of Open Access Journals (Sweden)

Gláucia Oliveira Islabão

2013-02-01

Full Text Available One of the largest strawberry-producing municipalities of Rio Grande do Sul (RS is Turuçu, in the South of the State. The strawberry production system adopted by farmers is similar to that used in other regions in Brazil and in the world. The main difference is related to the soil management, which can change the soil chemical properties during the strawberry cycle. This study had the objective of assessing the spatial and temporal distribution of soil fertility parameters using principal component analysis (PCA. Soil sampling was based on topography, dividing the field in three thirds: upper, middle and lower. From each of these thirds, five soil samples were randomly collected in the 0-0.20 m layer, to form a composite sample for each third. Four samples were taken during the strawberry cycle and the following properties were determined: soil organic matter (OM, soil total nitrogen (N, available phosphorus (P and potassium (K, exchangeable calcium (Ca and magnesium (Mg, soil pH (pH, cation exchange capacity (CEC at pH 7.0, soil base (V% and soil aluminum saturation(m%. No spatial variation was observed for any of the studied soil fertility parameters in the strawberry fields and temporal variation was only detected for available K. Phosphorus and K contents were always high or very high from the beginning of the strawberry cycle, while pH values ranged from very low to very high. Principal component analysis allowed the clustering of all strawberry fields based on variables related to soil acidity and organic matter content.

Meta-analysis of studies on chemical, physical and biological agents in the control of Aedes aegypti.

Science.gov (United States)

Lima, Estelita Pereira; Goulart, Marília Oliveira Fonseca; Rolim Neto, Modesto Leite

2015-09-04

Aedes aegypti is a vector of international concern because it can transmit to humans three important arboviral diseases: yellow fever, dengue and chikungunya. Epidemics that are repeated year after year in a variety of urban centers indicate that there are control failures, allowing the vector to continue expanding. To identify the most effective vector control strategies and the factors that contributed to the success or failure of each strategy, we carried out a systematic review with meta-analysis of articles published in 12 databases, from 1974 to the month of December 2013. We evaluated the association between the use of whatever chemical substance, mechanical agent, biological or integrated actions against A. aegypti and the control of the vector, as measured by 10 indicators. We found 2,791 articles, but after careful selection, only 26 studies remained for analysis related to control interventions implemented in 15 countries, with 5 biological, 5 chemical, 3 mechanical and 13 integrated strategies. The comparison among all of them, indicated that the control of A. aegypti is significantly associated with the type of strategy used, and that integrated interventions consist of the most effective method for controlling A. aegypti. The most effective control method was the integrated approach, considering the influence of eco-bio-social determinants in the virus-vector-man epidemiological chain, and community involvement, starting with community empowerment as active agents of vector control.

Transcriptomic effects-based monitoring for endocrine active chemicals: Assessing relative contribution of treated wastewater to downstream pollution

Science.gov (United States)

Martinovic-Weigelt, Dalma; Mehinto, Alvine C.; Ankley, Gerald T.; Denslow, Nancy D.; Barber, Larry B.; Lee, Kathy E.; King, Ryan J.; Schoenfuss, Heiko L.; Schroeder, Anthony L.; Villeneuve, Daniel L.

2014-01-01

The present study investigated whether a combination of targeted analytical chemistry information with unsupervised, data-rich biological methodology (i.e., transcriptomics) could be utilized to evaluate relative contributions of wastewater treatment plant (WWTP) effluents to biological effects. The effects of WWTP effluents on fish exposed to ambient, receiving waters were studied at three locations with distinct WWTP and watershed characteristics. At each location, 4 d exposures of male fathead minnows to the WWTP effluent and upstream and downstream ambient waters were conducted. Transcriptomic analyses were performed on livers using 15 000 feature microarrays, followed by a canonical pathway and gene set enrichment analyses. Enrichment of gene sets indicative of teleost brain–pituitary–gonadal–hepatic (BPGH) axis function indicated that WWTPs serve as an important source of endocrine active chemicals (EACs) that affect the BPGH axis (e.g., cholesterol and steroid metabolism were altered). The results indicated that transcriptomics may even pinpoint pertinent adverse outcomes (i.e., liver vacuolization) and groups of chemicals that preselected chemical analytes may miss. Transcriptomic Effects-Based monitoring was capable of distinguishing sites, and it reflected chemical pollution gradients, thus holding promise for assessment of relative contributions of point sources to pollution and the efficacy of pollution remediation.

Method and multichannel equipment for chemical analysis by X-ray emission

International Nuclear Information System (INIS)

Bacso, J.; Horkay, Gy.; Kalinka, G.; Kertesz, Zs.; Kiss Varga, M.; Lakatos, T.; Mathe, Gy.; Paal, A.; Sulik, B.

1978-01-01

In the patent a simple method and an apparatus are described for chemical analysis based on X-ray emission generated by irradiation. The concentrations of pre-selected elements can be determined easily by this method using an equipment containing microprocessor. The number of channels and the elements to be determined can be modified by a simple change in the program. (Sz.J.)

Chemical analysis and quality control of Ginkgo biloba leaves, extracts, and phytopharmaceuticals

NARCIS (Netherlands)

Beek, van T.A.; Montoro, P.

2009-01-01

The chemical analysis and quality control of Ginkgo leaves, extracts, phytopharmaceuticals and some herbal supplements is comprehensively reviewed. The review is an update of a similar, earlier review in this journal [T.A. van Beek, J. Chromatogr. A 967 (2002) 21¿55]. Since 2001 over 3000 papers on

X-ray texture analysis of paper coating pigments and the correlation with chemical composition analysis

Science.gov (United States)

Roine, J.; Tenho, M.; Murtomaa, M.; Lehto, V.-P.; Kansanaho, R.

2007-10-01

The present research experiments the applicability of x-ray texture analysis in investigating the properties of paper coatings. The preferred orientations of kaolin, talc, ground calcium carbonate, and precipitated calcium carbonate particles used in four different paper coatings were determined qualitatively based on the measured crystal orientation data. The extent of the orientation, namely, the degree of the texture of each pigment, was characterized quantitatively using a single parameter. As a result, the effect of paper calendering is clearly seen as an increase on the degree of texture of the coating pigments. The effect of calendering on the preferred orientation of kaolin was also evident in an independent energy dispersive spectrometer analysis on micrometer scale and an electron spectroscopy for chemical analysis on nanometer scale. Thus, the present work proves x-ray texture analysis to be a potential research tool for characterizing the properties of paper coating layers.

Uranium complexes with macrosyclic polyethers. Synthesis and structural chemical analysis

International Nuclear Information System (INIS)

Elbasyouny, A.

1983-01-01

This dissertation reports about studies on the chemical coordination behaviour of uranium of oxidation stages IV and VI with regard to twelve different macrocyclic ligands. For the preparation of the complexes, for every system a different method has been developed. The elementary analysis of the various complexes including the uranium had been done by X-ray fluorescence analysis, and the structural characterization proceeded via vibrational, uv-vis and emission spectroscopy as well as 1 H-NMR and 13 C-spin-lattice relaxation time studies. Conformational analysis of the polyethers used allowed the structural changes in the complexes to be observed. The structural analysis of the hydrous uranium VI crown ether complexes yielded information of characteristic features of these types of complexes. The first coordination sphere of the uranyl ion with covalently bonded anion remains unchanged. As to the water content, there is a certain range. Depending upon the solvent used, the complexes have two or four H 2 O molecules per formula unit. (orig./EF) [de

Chemometrics review for chemical sensor development, task 7 report

Energy Technology Data Exchange (ETDEWEB)

NONE

1994-05-01

This report, the seventh in a series on the evaluation of several chemical sensors for use in the U.S. Department of Energy`s (DOE`s) site characterization and monitoring programs, concentrates on the potential use of chemometrics techniques in analysis of sensor data. Chemometrics is the chemical discipline that uses mathematical, statistical, and other methods that employ formal logic to: design or select optimal measurement procedures and experiments and provide maximum relevant chemical information by analyzing chemical data. The report emphasizes the latter aspect. In a formal sense, two distinct phases are in chemometrics applications to analytical chemistry problems: (1) the exploratory data analysis phase and (2) the calibration and prediction phase. For use in real-world problems, it is wise to add a third aspect - the independent validation and verification phase. In practical applications, such as the ERWM work, and in order of decreasing difficulties, the most difficult tasks in chemometrics are: establishing the necessary infrastructure (to manage sampling records, data handling, and data storage and related aspects), exploring data analysis, and solving calibration problems, especially for nonlinear models. Chemometrics techniques are different for what are called zeroth-, first-, and second-order systems, and the details depend on the form of the assumed functional relationship between the measured response and the concentrations of components in mixtures. In general, linear relationships can be handled relatively easily, but nonlinear relationships can be difficult.

The impact of nectar chemical features on phenotypic variation in two related nectar yeasts.

Science.gov (United States)

Pozo, María I; Herrera, Carlos M; Van den Ende, Wim; Verstrepen, Kevin; Lievens, Bart; Jacquemyn, Hans

2015-06-01

Floral nectars become easily colonized by microbes, most often species of the ascomycetous yeast genus Metschnikowia. Although it is known that nectar composition can vary tremendously among plant species, most probably corresponding to the nutritional requirements of their main pollinators, far less is known about how variation in nectar chemistry affects intraspecific variation in nectarivorous yeasts. Because variation in nectar traits probably affects growth and abundance of nectar yeasts, nectar yeasts can be expected to display large phenotypic variation in order to cope with varying nectar conditions. To test this hypothesis, we related variation in the phenotypic landscape of a vast collection of nectar-living yeast isolates from two Metschnikowia species (M. reukaufii and M. gruessii) to nectar chemical traits using non-linear redundancy analyses. Nectar yeasts were collected from 19 plant species from different plant families to include as much variation in nectar chemical traits as possible. As expected, nectar yeasts displayed large variation in phenotypic traits, particularly in traits related to growth performance in carbon sources and inhibitors, which was significantly related to the host plant from which they were isolated. Total sugar concentration and relative fructose content significantly explained the observed variation in the phenotypic profile of the investigated yeast species, indicating that sugar concentration and composition are the key traits that affect phenotypic variation in nectarivorous yeasts. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

The exposure data landscape for manufactured chemicals.

Science.gov (United States)

Egeghy, Peter P; Judson, Richard; Gangwal, Sumit; Mosher, Shad; Smith, Doris; Vail, James; Cohen Hubal, Elaine A

2012-01-01

The U.S. Environmental Protection Agency is developing chemical screening and prioritization programs to evaluate environmental chemicals for potential risk to human health in a rapid and efficient manner. As part of these efforts, it is important to catalog available information on chemical toxicity and exposure from widely dispersed sources. The main objective of this analysis is to define important aspects of the exposure space and to catalog the available exposure information for chemicals being considered for analysis as part of the U.S. EPA ToxCast™ screening and prioritization program. Publicly available exposure data have been extracted into ACToR (Aggregated Computational Toxicology Resource), which combines information for hundreds of thousands of chemicals from >600 public sources. We use data from ACToR to assess the exposure data landscape for environmental chemicals. Of the roughly 100,000 chemicals that have at least limited toxicity information available, less than one-fifth also have exposure information - and for most of these the information is of limited utility (e.g., production volume). Readily accessible data on concentrations in exposure-related media are only available for a much smaller fraction. Among these, the largest number of chemicals is measured in water with over 1150 unique compounds, followed by 788 substances measured in soil, and 670 in air. These small numbers clearly reflect a focus of resources on those substances previously identified as possibly posing a hazard to human health. Exposure to a much broader number of chemicals will need to be measured in order to fully realize the envisioned goal of using exposure information to guide toxicity testing. Published by Elsevier B.V.

Energy saving analysis and management modeling based on index decomposition analysis integrated energy saving potential method: Application to complex chemical processes

International Nuclear Information System (INIS)

Geng, Zhiqiang; Gao, Huachao; Wang, Yanqing; Han, Yongming; Zhu, Qunxiong

2017-01-01

Highlights: • The integrated framework that combines IDA with energy-saving potential method is proposed. • Energy saving analysis and management framework of complex chemical processes is obtained. • This proposed method is efficient in energy optimization and carbon emissions of complex chemical processes. - Abstract: Energy saving and management of complex chemical processes play a crucial role in the sustainable development procedure. In order to analyze the effect of the technology, management level, and production structure having on energy efficiency and energy saving potential, this paper proposed a novel integrated framework that combines index decomposition analysis (IDA) with energy saving potential method. The IDA method can obtain the level of energy activity, energy hierarchy and energy intensity effectively based on data-drive to reflect the impact of energy usage. The energy saving potential method can verify the correctness of the improvement direction proposed by the IDA method. Meanwhile, energy efficiency improvement, energy consumption reduction and energy savings can be visually discovered by the proposed framework. The demonstration analysis of ethylene production has verified the practicality of the proposed method. Moreover, we can obtain the corresponding improvement for the ethylene production based on the demonstration analysis. The energy efficiency index and the energy saving potential of these worst months can be increased by 6.7% and 7.4%, respectively. And the carbon emissions can be reduced by 7.4–8.2%.

Chemical and physical analysis of core materials for advanced high temperature reactors with process heat applications

International Nuclear Information System (INIS)

Nickel, H.

1985-08-01

Various chemical and physical methods for the analysis of structural materials have been developed in the research programmes for advanced high temperature reactors. These methods are discussed using as examples the structural materials of the reactor core - the fuel elements consisting of coated particles in a graphite matrix and the structural graphite. Emphasis is given to the methods of chemical analysis. The composition of fuel kernels is investigated using chemical analysis methods to determine the heavy metals content (uranium, plutonium, thorium and metallic impurity elements) and the amount of non-metallic constituents. The properties of the pyrocarbon and silicon carbide coatings of fuel elements are investigated using specially developed physiochemical methods. Regarding the irradiation behaviour of coated particles and fuel elements, methods have been developed for examining specimens in hot cells following exposures under reactor operating conditions, to supplement the measurements of in-reactor performance. For the structural graphite, the determination of impurities is important because certain impurities may cause pitting corrosion during irradiation. The localized analysis of very low impurity concentrations is carried out using spectrochemical d.c. arc excitation, local laser and inductively coupled plasma methods. (orig.)

VPPD Lab - The Chemical Product Simulator

DEFF Research Database (Denmark)

Kalakul, Sawitree; Hussain, Rehan; Elbashir, Nimir

2015-01-01

, detergent, etc.). It has interface to identify workflow/data-flow for the inter-related activities between knowledge-based system and model-based calculation procedures to systematically, efficiently and robustly solve various types of product design-analysis problems. The application of the software......In this paper, the development of a systematic model-based framework for product design, implemented in the new product design software called VPPD-Lab is presented. This framework employs its in-house knowledge-based system to design and evaluate chemical products. The built-in libraries...... of product performance models and product-chemical property models are used to evaluate different classes of product. The product classes are single molecular structure chemicals (lipids, solvents, aroma, etc.), blended products (gasoline, jet-fuels, lubricants, etc.), and emulsified product (hand wash...

A path flux analysis method for the reduction of detailed chemical kinetic mechanisms

Energy Technology Data Exchange (ETDEWEB)

Sun, Wenting; Ju, Yiguang [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544 (United States); Chen, Zheng [State Key Laboratory for Turbulence and Complex Systems, College of Engineering, Peking University, Beijing 100871 (China); Gou, Xiaolong [School of Power Engineering, Chongqing University, Chongqing 400044 (China)

2010-07-15

A direct path flux analysis (PFA) method for kinetic mechanism reduction is proposed and validated by using high temperature ignition, perfect stirred reactors, and steady and unsteady flame propagations of n-heptane and n-decane/air mixtures. The formation and consumption fluxes of each species at multiple reaction path generations are analyzed and used to identify the important reaction pathways and the associated species. The formation and consumption path fluxes used in this method retain flux conservation information and are used to define the path indexes for the first and the second generation reaction paths related to a targeted species. Based on the indexes of each reaction path for the first and second generations, different sized reduced chemical mechanisms which contain different number of species are generated. The reduced mechanisms of n-heptane and n-decane obtained by using the present method are compared to those generated by the direct relation graph (DRG) method. The reaction path analysis for n-decane is conducted to demonstrate the validity of the present method. The comparisons of the ignition delay times, flame propagation speeds, flame structures, and unsteady spherical flame propagation processes showed that with either the same or significantly less number of species, the reduced mechanisms generated by the present PFA are more accurate than that of DRG in a broad range of initial pressures and temperatures. The method is also integrated with the dynamic multi-timescale method and a further increase of computation efficiency is achieved. (author)

Chemical sensors and the development of potentiometric methods for liquid media analysis

International Nuclear Information System (INIS)

Vlasov, Yu.G.; Kolodnikov, V.V.; Ermolenko, Yu.E.; Mikhajlova, S.S.

1996-01-01

Aspects of applying indirect potentiometric determination to chemical analysis are considered. Among them are the standard and modified addition and subtraction methods, the multiple addition method, and potentiometric titration using ion-selective electrodes as indicators. These methods significantly extend the capabilities of ion-selective potentiometric analysis. Conditions for the applicability of the above-mentioned methods to various samples (Cd, REE, Th, iodides and others) are discussed using all available ion-selective electrodes as examples. 162 refs., 2 figs., 5 tabs

Board on chemical sciences and technology

International Nuclear Information System (INIS)

1991-01-01

The Board on Chemical Sciences and Technology organizes and provides direction for standing and ad-hoc committees charged with addressing specific issues relevant to the continued health of the chemical sciences and technology community. Studies currently under the oversight of the BCST include a major survey of the chemical sciences, a complementary survey of chemical engineering, an examination of the problems of biohazards in the laboratory, and an analysis of the roots and magnitude of the problem of obsolescent facilities for research and teaching in departments in the chemical sciences and engineering. The Board continues to respond to specific agency requests for program assessments and advice. BCST members are designated to serve as liaison with major federal agencies or departments that support research in order to help identify ways for the Board to assist these organizations. The BCST maintains close contact with professional societies and non-governmental organizations that share the Board's concern for the health of chemical sciences and technology. Individual Board members are assigned responsibility for liaison with the American Chemical Society, the American Institute of Chemical Engineers, the American Society of Biological Chemists, the Council for Chemical Research, the NAS Chemistry and Biochemistry Sections, and the National Academy of Engineering. In the past few years, the Board has served as a focus and a forum for a variety of issues that relate specifically to the health of chemistry

Chemical analysis by X-ray fluorescence, of niobium in high-strength plate steels

International Nuclear Information System (INIS)

Iozzi, F.B.; Dias, M.J.P.

1981-01-01

The use of X-ray fluorescence spectrometry in quantitative analysis of niobium in steels, as an alternative solution for optical emission spectrometry, in the rapid chemical control of steel fabrication by LD type converters, is presented. (M.C.K.) [pt

Analysis of air-, moisture- and solvent-sensitive chemical compounds by mass spectrometry using an inert atmospheric pressure solids analysis probe.

Science.gov (United States)

Mosely, Jackie A; Stokes, Peter; Parker, David; Dyer, Philip W; Messinis, Antonis M

2018-02-01

A novel method has been developed that enables chemical compounds to be transferred from an inert atmosphere glove box and into the atmospheric pressure ion source of a mass spectrometer whilst retaining a controlled chemical environment. This innovative method is simple and cheap to implement on some commercially available mass spectrometers. We have termed this approach inert atmospheric pressure solids analysis probe ( iASAP) and demonstrate the benefit of this methodology for two air-/moisture-sensitive chemical compounds whose characterisation by mass spectrometry is now possible and easily achieved. The simplicity of the design means that moving between iASAP and standard ASAP is straightforward and quick, providing a highly flexible platform with rapid sample turnaround.

Hyperplane distance neighbor clustering based on local discriminant analysis for complex chemical processes monitoring

Energy Technology Data Exchange (ETDEWEB)

Lu, Chunhong; Xiao, Shaoqing; Gu, Xiaofeng [Jiangnan University, Wuxi (China)

2014-11-15

The collected training data often include both normal and faulty samples for complex chemical processes. However, some monitoring methods, such as partial least squares (PLS), principal component analysis (PCA), independent component analysis (ICA) and Fisher discriminant analysis (FDA), require fault-free data to build the normal operation model. These techniques are applicable after the preliminary step of data clustering is applied. We here propose a novel hyperplane distance neighbor clustering (HDNC) based on the local discriminant analysis (LDA) for chemical process monitoring. First, faulty samples are separated from normal ones using the HDNC method. Then, the optimal subspace for fault detection and classification can be obtained using the LDA approach. The proposed method takes the multimodality within the faulty data into account, and thus improves the capability of process monitoring significantly. The HDNC-LDA monitoring approach is applied to two simulation processes and then compared with the conventional FDA based on the K-nearest neighbor (KNN-FDA) method. The results obtained in two different scenarios demonstrate the superiority of the HDNC-LDA approach in terms of fault detection and classification accuracy.

Hyperplane distance neighbor clustering based on local discriminant analysis for complex chemical processes monitoring

International Nuclear Information System (INIS)

Lu, Chunhong; Xiao, Shaoqing; Gu, Xiaofeng

2014-01-01

The collected training data often include both normal and faulty samples for complex chemical processes. However, some monitoring methods, such as partial least squares (PLS), principal component analysis (PCA), independent component analysis (ICA) and Fisher discriminant analysis (FDA), require fault-free data to build the normal operation model. These techniques are applicable after the preliminary step of data clustering is applied. We here propose a novel hyperplane distance neighbor clustering (HDNC) based on the local discriminant analysis (LDA) for chemical process monitoring. First, faulty samples are separated from normal ones using the HDNC method. Then, the optimal subspace for fault detection and classification can be obtained using the LDA approach. The proposed method takes the multimodality within the faulty data into account, and thus improves the capability of process monitoring significantly. The HDNC-LDA monitoring approach is applied to two simulation processes and then compared with the conventional FDA based on the K-nearest neighbor (KNN-FDA) method. The results obtained in two different scenarios demonstrate the superiority of the HDNC-LDA approach in terms of fault detection and classification accuracy

[Chemical-nutritional characterization of the moss Spagnum magellanicum].

Science.gov (United States)

Villarroel, Mario; Biolley, Edith; Yáñez, Enrique; Peralta, Rosario

2002-12-01

The goal of the present study was to know the chemical characteristics of the moss Sphagnum magellanicum (S.M.) growing in the southern part of Chile, spreading approximately. in a geographic area of 500.000 Has. Very few antecedents are reported in the literature concerning the functional properties of this resource, with the exception of the water absorption and holding capacity. Many of the industrial or agricultural uses of this moss are strongly related with this characteristic. Looking for other alternatives of utilization, it has been planned its incorporation to staple foods as a source of dietary fiber. But first it is necessary to know its chemical characteristics Representative samples of this material were submitted to different chemical analysis such as proximal analysis, fractional fiber analysis and anti nutrient factors.. Results of those analysis show the high amount of dietary fiber founded in this resource (77%), higher than reported data for other traditional fiber sources such as lupin bran, rice hull, barley hull, oat bran, etc. Finally it is important emphasize the absence of antinutrient factor in this moss, that could make feasible its use for human nutrition.

Chemical contents in Lygeum spartum L. using instrumental neutron activation analysis

International Nuclear Information System (INIS)

Nedjimi, Bouzid

2015-01-01

The present investigation was conducted to determine the chemical contents of Lygeum spartum L. (Poaceae). Samples were analyzed in order to determine essential (Ca, K, Na, Fe, Co) and some potentially toxic elements (Eu, Sb, Tb) using instrumental neutron activation analysis (INAA). In general chemical element contents were in substantial amounts to meet adult sheep requirements. Potential intake of Ca, K, Zn, Co and Fe by ruminant weighing 50 kg BW consuming 2.0 kg per day DM was sufficient to satisfy their requirements. However, only Na level was still insufficient to meet the requirements for grazing ruminants. Potential toxic elements in this species were within the safety baseline of all the assayed elements recommended by NRC. Na supplementation would seem to be necessary in this zone, for optimum productivity of grazing animals.

Reduction and Uncertainty Analysis of Chemical Mechanisms Based on Local and Global Sensitivities

Science.gov (United States)

Esposito, Gaetano

Numerical simulations of critical reacting flow phenomena in hypersonic propulsion devices require accurate representation of finite-rate chemical kinetics. The chemical kinetic models available for hydrocarbon fuel combustion are rather large, involving hundreds of species and thousands of reactions. As a consequence, they cannot be used in multi-dimensional computational fluid dynamic calculations in the foreseeable future due to the prohibitive computational cost. In addition to the computational difficulties, it is also known that some fundamental chemical kinetic parameters of detailed models have significant level of uncertainty due to limited experimental data available and to poor understanding of interactions among kinetic parameters. In the present investigation, local and global sensitivity analysis techniques are employed to develop a systematic approach of reducing and analyzing detailed chemical kinetic models. Unlike previous studies in which skeletal model reduction was based on the separate analysis of simple cases, in this work a novel strategy based on Principal Component Analysis of local sensitivity values is presented. This new approach is capable of simultaneously taking into account all the relevant canonical combustion configurations over different composition, temperature and pressure conditions. Moreover, the procedure developed in this work represents the first documented inclusion of non-premixed extinction phenomena, which is of great relevance in hypersonic combustors, in an automated reduction algorithm. The application of the skeletal reduction to a detailed kinetic model consisting of 111 species in 784 reactions is demonstrated. The resulting reduced skeletal model of 37--38 species showed that the global ignition/propagation/extinction phenomena of ethylene-air mixtures can be predicted within an accuracy of 2% of the full detailed model. The problems of both understanding non-linear interactions between kinetic parameters and

In situ chemical state analysis of buried polymer/metal adhesive interface by hard X-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

Ozawa, Kenichi; Kakubo, Takashi; Shimizu, Katsunori; Amino, Naoya; Mase, Kazuhiko; Ikenaga, Eiji; Nakamura, Tetsuya; Kinoshita, Toyohiko; Oji, Hiroshi

2014-01-01

Highlights: • Chemical state analysis of the buried rubber/brass interface is conducted by HAXPES. • Ultrathin rubber films are prepared on the brass surface by two methods. • A high density of Cu 2 S is found on the rubber side of the buried adhesive layer. • The chemical states of the buried and exposed interfaces are compared. - Abstract: Chemical state analysis of adhesive interfaces is important to understand an adhesion mechanism between two different materials. Although photoelectron spectroscopy (PES) is an ideal tool for such an analysis, the adhesive interfaces must be exposed to the surface because PES is essentially a surface sensitive technique. However, an in situ observation is possible by hard X-ray PES (HAXPES) owing to its large probing depth. In the present study, HAXPES is applied to investigate the adhesive interface between rubber and brass without exposing the interface. It is demonstrated that copper sulfides formed at the buried rubber/brass interface are distinguished from S-containing species in the rubber overlayer. The chemical state of the buried interface is compared with that of the “exposed” interface prepared by so-called a filter-paper method

Chemical evaluation of electronic cigarettes

OpenAIRE

Cheng, Tianrong

2014-01-01

Objective To review the available evidence evaluating the chemicals in refill solutions, cartridges, aerosols and environmental emissions of electronic cigarettes (e-cigarettes). Methods Systematic literature searches were conducted to identify research related to e-cigarettes and chemistry using 5 reference databases and 11 search terms. The search date range was January 2007 to September 2013. The search yielded 36 articles, of which 29 were deemed relevant for analysis. Results The levels ...

Chemical risk evaluation, importance of the risk analysis framework uses: Latin America development restrictions

International Nuclear Information System (INIS)

Carrillo, M.

2013-01-01

The power point presentation is about reach and results of the risk analysis in Venezuela, chemical dangers in food, human damage, injuries , technologies news in fodd development, toxicity, microbiological risk, technical recommendations

Chemical and spectroscopic characteristics of potassium white micas related to polystage evolution of the Central Western Carpathians orogenic wedge

Science.gov (United States)

Sulák, Marián; Kaindl, Reinhard; Putiš, Marián; Sitek, Jozef; Krenn, Kurt; Tóth, Ignác

2009-12-01

Potassium white micas in sheared basement and cover rocks from the Central Western Carpathians (CWC) were investigated by PL microscopy, electron microprobe (EMP) analysis, Mössbauer and micro-Raman spectroscopy. We specified chemical and spectroscopic characteristics, which allow distinction between celadonite-poor (muscovitic) and celadonite-rich (phengitic) white mica (Wmca). Wmca generations formed during a polystage evolution in changing P- T conditions ranging from the very low to medium temperatures at medium pressure within the Alpidic CWC orogenic wedge. BSE imaging, EMP analyses and X-ray element maps indicate chemical differences between muscovite and phengite, mainly in Al, Fe and Si contents. Mössbauer spectroscopy revealed their contrasting spectra, related to different hyperfine parameters, mainly of quadrupole splitting (QS of Ms: 2.6-2.7 mm/s, or 2.9-3.0 mm/s for Phg), corresponding to Fe 2+ and Fe 3+ contents. Blastomylonitic samples with a single dominating Wmca generation and finite-strain XZ sections were suitable for micro-Raman study. These data corroborate correlation between the frequencies of two vibrational modes of Wmca and Si content. The investigated Wmca generations indicate an enhanced transformation between Wmca phases in shear zones.

A Novel Approach: Chemical Relational Databases, and the ...

Science.gov (United States)

Mutagenicity and carcinogenicity databases are crucial resources for toxicologists and regulators involved in chemicals risk assessment. Until recently, existing public toxicity databases have been constructed primarily as

Mass spectrographic analysis of selected chemical elements by microbial leaching of zircon

International Nuclear Information System (INIS)

Becker, S.; Dietze, H.J.; Bullmann, M.; Iske, U.

1986-01-01

Spark source mass spectrometry is a useful method for chemical element analysis of geological and biological samples. This sensitive technique (detection limit down to the ppb-range) is used to analyze leaching processes by means of several microorganisms. The problem of microbial leaching of chemical resistent materials was tested under laboratory conditions with regard to possible analytical and technical applications. Leaching of metals with chemolithotrophic and heterotrophic, organic acids producing microorganisms has been investigated with zircon from the Baltic Shield containing 0.7% rare earth elements and 1.67% hafnium. When zircon is leached with strains of thiobacillus ferrooxidans about 80% of the rare earth elements, Hf, Th and U can be recovered. (orig.) [de

Economic potential of natural gas-fired cogeneration--analysis of Brazil's chemical industry

International Nuclear Information System (INIS)

Szklo, A.S.; Soares, J.B.; Tolmasquim, M.T.

2004-01-01

This paper attempts to estimate the technical and economic potential for natural gas-fired cogeneration (NGCHP) in Brazil's chemical industry as well as also analyses the impacts of specific incentive policies on the economic feasibility of this potential. Currently, the NGCHP installed capacity at Brazil's chemical industry is still quite a low figure, although the chemical plants are under heavy pressures to: (1) cut costs; and (2) show a rising awareness of the importance of power service quality, underscored even more heavily by Brazil's recent power crisis. According this study, a natural gas-fired remaining technical potential of 1.4 GW is noted in the Brazilian chemical industry. Financing policies showed to be the stand-alone policy that would be most successful for ensuring the economic feasibility of this technical potential. Nevertheless, this policy proved to be affected by the economic scenario under consideration, which includes world oil prices, electricity tariff and foreign exchange ratio possible paths. Consequently, the key issue is related to the ability to assess which economic scenario is rated as more probable by possible future investors in NGCHP, and then selecting the most appropriate incentive policy

Development of Procedures for the Analysis of Components of Dumped Chemical Weapons and Their Principal Transformation Products in Sea Water

International Nuclear Information System (INIS)

Saveleva, E. I.; Koryagina, N. L.; Radilov, A. S.; Khlebnikova, N. S.; Khrustaleva, V. S.

2007-01-01

A package of chemical analytical procedures was developed for the detection of products indicative of the presence of damped chemical weapons in the Baltic Sea. The principal requirements imposed upon the procedures were the following: high sensitivity, reliable identification of target compounds, wide range of components covered by survey analysis, and lack of interferences from sea salts. Thiodiglycol, a product of hydrolysis of sulfur mustard reportedly always detected in the sites of damping chemical weapons in the Baltic Sea, was considered the principal marker. We developed a high-sensitivity procedure for the determination of thiodiglycol in sea water, involving evaporation of samples to dryness in a vacuum concentrator, followed by tert-butyldimethylsilylation of the residue and GCMS analysis in the SIM mode with meta-fluorobenzoic acid as internal reference. The detection limit of thiodiglycol was 0.001 mg/l, and the procedure throughput was up to 30 samples per day. The same procedure, but with BSTFA as derivatizing agent instead of MTBSTFA, was used for preparing samples for survey analysis of nonvolatile components. In this case, full mass spectra were measured in the GCMS analysis. The use of BSTFA was motivated by the fact that trimethylsilyl derivatives are much wider represented in electronic mass spectral databases. The identification of sulfur mustard, volatile transformation products of sulfur mustard and lewisite, as well as chloroacetophenone in sea water was performed by means of GCMS in combination with SPME. The survey GC-MS analysis was focused on the identification of volatile and nonvolatile toxic chemicals whose mass spectra are included in the OPCW database (3219 toxic chemicals, precursors, and transformation products) with the use of AMDIS software (version 2.62). Using 2 GC-MS instruments, we could perform the survey analysis for volatile and nonvolatile components of up to 20 samples per day. Thus, the package of three procedures

Acute Chemical Incidents With Injured First Responders, 2002-2012.

Science.gov (United States)

Melnikova, Natalia; Wu, Jennifer; Yang, Alice; Orr, Maureen

2018-04-01

IntroductionFirst responders, including firefighters, police officers, emergency medical services, and company emergency response team members, have dangerous jobs that can bring them in contact with hazardous chemicals among other dangers. Limited information is available on responder injuries that occur during hazardous chemical incidents. We analyzed 2002-2012 data on acute chemical incidents with injured responders from 2 Agency for Toxic Substances and Disease Registry chemical incident surveillance programs. To learn more about such injuries, we performed descriptive analysis and looked for trends. The percentage of responders among all injured people in chemical incidents has not changed over the years. Firefighters were the most frequently injured group of responders, followed by police officers. Respiratory system problems were the most often reported injury, and the respiratory irritants, ammonia, methamphetamine-related chemicals, and carbon monoxide were the chemicals more often associated with injuries. Most of the incidents with responder injuries were caused by human error or equipment failure. Firefighters wore personal protective equipment (PPE) most frequently and police officers did so rarely. Police officers' injuries were mostly associated with exposure to ammonia and methamphetamine-related chemicals. Most responders did not receive basic awareness-level hazardous material training. All responders should have at least basic awareness-level hazardous material training to recognize and avoid exposure. Research on improving firefighter PPE should continue. (Disaster Med Public Health Preparedness. 2018;12:211-221).

Methods of chemical and phase composition analysis of gallstones

Science.gov (United States)

Suvorova, E. I.; Pantushev, V. V.; Voloshin, A. E.

2017-11-01

This review presents the instrumental methods used for chemical and phase composition investigation of gallstones. A great body of data has been collected in the literature on the presence of elements and their concentrations, obtained by fluorescence microscopy, X-ray fluorescence spectroscopy, neutron activation analysis, proton (particle) induced X-ray emission, atomic absorption spectroscopy, high-resolution gamma-ray spectrometry, electron paramagnetic resonance. Structural methods—powder X-ray diffraction, infrared spectroscopy, Raman spectroscopy—provide information about organic and inorganic phases in gallstones. Stone morphology was studied at the macrolevel with optical microscopy. Results obtained by analytical scanning and transmission electron microscopy with X-ray energy dispersive spectrometry are discussed. The chemical composition and structure of gallstones determine the strategy of removing stone from the body and treatment of patients: surgery or dissolution in the body. Therefore one chapter of the review describes the potential of dissolution methods. Early diagnosis and appropriate treatment of the disease depend on the development of clinical methods for in vivo investigation, which gave grounds to present the main characteristics and potential of ultrasonography (ultrasound scanning), magnetic resonance imaging, and X-ray computed tomography.

Identification of chemical warfare agent with radiological measurements

International Nuclear Information System (INIS)

Liu Boxue; Li Yun; Ai Xianyun

2000-01-01

There are three non-destructive radiological methods for identification of warfare agents and TNT. Their principles and problems related were discussed. Portable isotopic neutron spectroscopy is based on the assay of key elemental composition (such as Cl, P, H, As, S, N) in chemical agents by neutron induced prompt gamma ray analysis. Hydrogen concentration measurement by means of using thermal neutron can be employed to identify chemical warfare agents and TNT that contains different hydrogen fraction. The calibration curves of thermal neutron count rate against hydrogen concentration were measured. X ray imagination system can be used to determine the internal structure of chemical bombs, there by to identify them. The radiological methods are very useful for identification of old chemical weapons abandoned by Japan Army during World War 2

Sampling and chemical analysis in environmental samples around Nuclear Power Plants and some environmental samples

Energy Technology Data Exchange (ETDEWEB)

Cho, Yong Woo; Han, Man Jung; Cho, Seong Won; Cho, Hong Jun; Oh, Hyeon Kyun; Lee, Jeong Min; Chang, Jae Sook [KORTIC, Taejon (Korea, Republic of)

2002-12-15

Twelve kinds of environmental samples such as soil, seawater, underground water, etc. around Nuclear Power Plants(NPPs) were collected. Tritium chemical analysis was tried for the samples of rain water, pine-needle, air, seawater, underground water, chinese cabbage, a grain of rice and milk sampled around NPPs, and surface seawater and rain water sampled over the country. Strontium in the soil that sere sampled at 60 point of district in Korea were analyzed. Tritium were sampled at 60 point of district in Korea were analyzed. Tritium were analyzed in 21 samples of surface seawater around the Korea peninsular that were supplied from KFRDI(National Fisheries Research and Development Institute). Sampling and chemical analysis environmental samples around Kori, Woolsung, Youngkwang, Wooljin Npps and Taeduk science town for tritium and strontium analysis was managed according to plans. Succeed to KINS after all samples were tried.

Application of factor analysis to chemically analyzed data in environmental samples after x-ray fluorescence analysis

International Nuclear Information System (INIS)

El-Sayed, A.A.

2005-01-01

The underlying principle of factorial analysis is frequency distribution and description of reaction in between and through the element series in specific environmental samples. Application of this factor analysis was elaborated to interpret the variance and covariance of certain elements Si, Al, Ca. K, Fe, Ti and Mg in three different types of common materials in environmental sediments, soil, and rock. These evaluations were proceeded after x-ray fluorescence measurements. Results of applications of factorial statistical data analysis show that three factors cause relationship between the above elements in a certain type of environmental samples are mainly recognized. In such cases, these factors represent the main reason for findings and interpret all hidden relationship between the chemical analyzed data. Factor one, the effect of weathering type alteration and oxidation reaction processes as a main one in case of soil and rock where they are characterized by the close covariance of a group of metals, like iron and manganese, commonly derived from weathered and altered igneous rocks. Factor two and three represents other processes. In case of soil, formation of alumino-silicate is revealed in factor two due to the positive covariance of these elements and also the presence of aluminum oxide, titanium oxide and silicon dioxide together is explained by these positive values. The inverse relation between Ca, K, Fe and Mg while indicate the presence of mineral salts which may be due to fertilization and water of irrigation. In case of factor three in that soil, it is the weakest factor that can be used to explain the relationship between the above elements

Chemical meningitis related to intra-CSF liposomal cytarabine.

Science.gov (United States)

Durand, Bénédicte; Zairi, Fahed; Boulanger, Thomas; Bonneterre, Jacques; Mortier, Laurent; Le Rhun, Emilie

2017-10-01

Therapeutic options of leptomeningeal metastases include intra-cerebrospinal fluid (CSF) chemotherapy. Among intra-CSF agents, liposomal cytarabine has advantages but can induce specific toxicities. A BRAF-V600E-mutated melanoma leptomeningeal metastases patient, treated by dabrafenib and liposomal cytarabine, presented after the first injection of liposomal cytarabine with hyperthermia and headaches. Despite sterile CSF/blood analyses, extended intravenous antibiotics were given and the second injection was delayed. The diagnosis of chemical meningitis was finally made. Dose reduction and appropriate symptomatic treatment permitted the administration of 15 injections of liposomal cytarabine combined with dabrafenib. A confirmation of the diagnosis of chemical meningitis is essential in order (1) not to delay intra-CSF or systemic chemotherapy or (2) to limit the administration of unnecessary but potentially toxic antibiotics.

Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures.

Science.gov (United States)

Telu, Kelly H; Yan, Xinjian; Wallace, William E; Stein, Stephen E; Simón-Manso, Yamil

2016-03-15

The metabolite profiling of a NIST plasma Standard Reference Material (SRM 1950) on different liquid chromatography/mass spectrometry (LC/MS) platforms showed significant differences. Although these findings suggest caution when interpreting metabolomics results, the degree of overlap of both profiles allowed us to use tandem mass spectral libraries of recurrent spectra to evaluate to what extent these results are transferable across platforms and to develop cross-platform chemical signatures. Non-targeted global metabolite profiles of SRM 1950 were obtained on different LC/MS platforms using reversed-phase chromatography and different chromatographic scales (conventional HPLC, UHPLC and nanoLC). The data processing and the metabolite differential analysis were carried out using publically available (XCMS), proprietary (Mass Profiler Professional) and in-house software (NIST pipeline). Repeatability and intermediate precision showed that the non-targeted SRM 1950 profiling was highly reproducible when working on the same platform (relative standard deviation (RSD) HPLC, UHPLC and nanoLC) on the same platform. A substantial degree of overlap (common molecular features) was also found. A procedure to generate consistent chemical signatures using tandem mass spectral libraries of recurrent spectra is proposed. Different platforms rendered significantly different metabolite profiles, but the results were highly reproducible when working within one platform. Tandem mass spectral libraries of recurrent spectra are proposed to evaluate the degree of transferability of chemical signatures generated on different platforms. Chemical signatures based on our procedure are most likely cross-platform transferable. Published in 2016. This article is a U.S. Government work and is in the public domain in the USA.

A comparison of partial order technique with three methods of multi-criteria analysis for ranking of chemical substances.

Science.gov (United States)

Lerche, Dorte; Brüggemann, Rainer; Sørensen, Peter; Carlsen, Lars; Nielsen, Ole John

2002-01-01

An alternative to the often cumbersome and time-consuming risk assessments of chemical substances could be more reliable and advanced priority setting methods. An elaboration of the simple scoring methods is provided by Hasse Diagram Technique (HDT) and/or Multi-Criteria Analysis (MCA). The present study provides an in depth evaluation of HDT relative to three MCA techniques. The new and main methodological step in the comparison is the use of probability concepts based on mathematical tools such as linear extensions of partially ordered sets and Monte Carlo simulations. A data set consisting of 12 High Production Volume Chemicals (HPVCs) is used for illustration. It is a paradigm in this investigation to claim that the need of external input (often subjective weightings of criteria) should be minimized and that the transparency should be maximized in any multicriteria prioritisation. The study illustrates that the Hasse diagram technique (HDT) needs least external input, is most transparent and is least subjective. However, HDT has some weaknesses if there are criteria which exclude each other. Then weighting is needed. Multi-Criteria Analysis (i.e. Utility Function approach, PROMETHEE and concordance analysis) can deal with such mutual exclusions because their formalisms to quantify preferences allow participation e.g. weighting of criteria. Consequently MCA include more subjectivity and loose transparency. The recommendation which arises from this study is that the first step in decision making is to run HDT and as the second step possibly is to run one of the MCA algorithms.

Changes in chemical composition of bone matrix in ovariectomized (OVX) rats detected by Raman spectroscopy and multivariate analysis

Science.gov (United States)

Oshima, Yusuke; Iimura, Tadahiro; Saitou, Takashi; Imamura, Takeshi

2015-02-01

Osteoporosis is a major bone disease that connotes the risk of fragility fractures resulting from alterations to bone quantity and/or quality to mechanical competence. Bone strength arises from both bone quantity and quality. Assessment of bone quality and bone quantity is important for prediction of fracture risk. In spite of the two factors contribute to maintain the bone strength, only one factor, bone mineral density is used to determine the bone strength in the current diagnosis of osteoporosis. On the other hand, there is no practical method to measure chemical composition of bone tissue including hydroxyapatite and collagen non-invasively. Raman spectroscopy is a powerful technique to analyze chemical composition and material properties of bone matrix non-invasively. Here we demonstrated Raman spectroscopic analysis of the bone matrix in osteoporosis model rat. Ovariectomized (OVX) rat was made and the decalcified sections of tibias were analyzed by a Raman microscope. In the results, Raman bands of typical collagen appeared in the obtained spectra. Although the typical mineral bands at 960 cm-1 (Phosphate) was absent due to decalcified processing, we found that Raman peak intensities of amide I and C-C stretching bands were significantly different between OVX and sham-operated specimens. These differences on the Raman spectra were statistically compared by multivariate analyses, principal component analysis (PCA) and liner discrimination analysis (LDA). Our analyses suggest that amide I and C-C stretching bands can be related to stability of bone matrix which reflects bone quality.

Chemical analysis and potential health risks of hookah charcoal

Energy Technology Data Exchange (ETDEWEB)

Elsayed, Yehya, E-mail: yelsayed@aus.edu; Dalibalta, Sarah, E-mail: sdalibalta@aus.edu; Abu-Farha, Nedal

2016-11-01

Hookah (waterpipe) smoking is a very common practice that has spread globally. There is growing evidence on the hazardous consequences of smoking hookah, with studies indicating that its harmful effects are comparable to cigarette smoking if not worse. Charcoal is commonly used as a heating source for hookah smoke. Although charcoal briquettes are thought to be one of the major contributors to toxicity, their composition and impact on the smoke generated remains largely unidentified. This study aims to analyze the elemental composition of five different raw synthetic and natural charcoals by using Carbon-Hydrogen-Nitrogen (CHN) analysis, inductively coupled plasma (ICP), and scanning electron microscopy coupled with energy dispersive X-Ray spectrometry (SEM-EDS). Elemental analysis showed that the raw charcoals contain heavy metals such as zinc, iron, cadmium, vanadium, aluminum, lead, chromium, manganese and cobalt at concentrations similar, if not higher than, cigarettes. In addition, thermal desorption-gas chromatography–mass spectrometry (TD-GC–MS) was used to analyze the chemical composition of the smoke produced from burning the charcoal samples. The smoke emitted from charcoal was found to be the source of numerous compounds which could be hazardous to health. A total of seven carcinogens, 39 central nervous system depressants and 31 respiratory irritants were identified. - Highlights: • Hookah charcoals, mainly synthetic brands, contains trace/heavy metals in concentrations exceeding those in cigarettes. • The concentration of lead in synthetic charcoal briquettes may impose adverse effects on human health. • The amount of nitrogen in synthetic charcoal is comparable to that reported in cigarettes. • Chemical profiling of smoke emitted from hookah charcoal reveals many compounds associated with potential health risks.

Chemical analysis and potential health risks of hookah charcoal

International Nuclear Information System (INIS)

Elsayed, Yehya; Dalibalta, Sarah; Abu-Farha, Nedal

2016-01-01

Hookah (waterpipe) smoking is a very common practice that has spread globally. There is growing evidence on the hazardous consequences of smoking hookah, with studies indicating that its harmful effects are comparable to cigarette smoking if not worse. Charcoal is commonly used as a heating source for hookah smoke. Although charcoal briquettes are thought to be one of the major contributors to toxicity, their composition and impact on the smoke generated remains largely unidentified. This study aims to analyze the elemental composition of five different raw synthetic and natural charcoals by using Carbon-Hydrogen-Nitrogen (CHN) analysis, inductively coupled plasma (ICP), and scanning electron microscopy coupled with energy dispersive X-Ray spectrometry (SEM-EDS). Elemental analysis showed that the raw charcoals contain heavy metals such as zinc, iron, cadmium, vanadium, aluminum, lead, chromium, manganese and cobalt at concentrations similar, if not higher than, cigarettes. In addition, thermal desorption-gas chromatography–mass spectrometry (TD-GC–MS) was used to analyze the chemical composition of the smoke produced from burning the charcoal samples. The smoke emitted from charcoal was found to be the source of numerous compounds which could be hazardous to health. A total of seven carcinogens, 39 central nervous system depressants and 31 respiratory irritants were identified. - Highlights: • Hookah charcoals, mainly synthetic brands, contains trace/heavy metals in concentrations exceeding those in cigarettes. • The concentration of lead in synthetic charcoal briquettes may impose adverse effects on human health. • The amount of nitrogen in synthetic charcoal is comparable to that reported in cigarettes. • Chemical profiling of smoke emitted from hookah charcoal reveals many compounds associated with potential health risks.

Experimental and numerical reaction analysis on sodium-water chemical reaction field

International Nuclear Information System (INIS)

Deguchi, Yoshihiro; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2015-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using an elementary reaction analysis. A quasi one-dimensional flame model is applied to a sodium-water counter-flow reaction field. The analysis contains 25 elementary reactions, which consist of 17 H_2-O_2 and 8 Na-H_2O reactions. Temperature and species concentrations in the counter-flow reaction field were measured using laser diagnostics such as LIF and CARS. The main reaction in the experimental conditions is Na+H_2O → NaOH+H and OH is produced by H_2O+H → H_2+OH. It is demonstrated that the reaction model in this study well explains the structure of the sodium-water counter-flow diffusion flame. (author)

Chemical investigation, isolation and structural analysis of flavones from primula veris

International Nuclear Information System (INIS)

Huck, Ch.

1998-01-01

The chemical investigation, isolation and structural analysis of six flavones present in flowers of Primula veris is described. Sample preparation of substances G from Primula veris comprised methanol extraction, low pressure chromatography on aluminum oxide, medium pressure chromatography on silica gel, and RP-HPLC on ODS. The six flavones, which were identified by their blue fluorescence after separation by thin layer chromatography, were named substance G1, G2, G3, G4, G5 and G6 according to their Rf-values. Fractions were collected during each of the separation processes and the fractions were analyzed by NP-HPLC and RP-HPLC. Higher resolution was obtained by NP-HPLC on a silica gel column and an n-hexane/ isopropanol (92:8 v/v) eluent, where 6 peaks (G1, G2, G3, G4, G5 and G6) were obtained. Diode array detection from 190 - 350 nm was utilized for the recording of UV-spectra for peak identification and peak-purity-analysis. The structures of Substance G4 and Substance G6 were established on the basis of UV, NMR, EI-MS and APCI-MS. The structure of the isolated substance G4 was verified by chemical synthesis. (author)

Scanning photoelectron microscope for nanoscale three-dimensional spatial-resolved electron spectroscopy for chemical analysis.

Science.gov (United States)

Horiba, K; Nakamura, Y; Nagamura, N; Toyoda, S; Kumigashira, H; Oshima, M; Amemiya, K; Senba, Y; Ohashi, H

2011-11-01

In order to achieve nondestructive observation of the three-dimensional spatially resolved electronic structure of solids, we have developed a scanning photoelectron microscope system with the capability of depth profiling in electron spectroscopy for chemical analysis (ESCA). We call this system 3D nano-ESCA. For focusing the x-ray, a Fresnel zone plate with a diameter of 200 μm and an outermost zone width of 35 nm is used. In order to obtain the angular dependence of the photoelectron spectra for the depth-profile analysis without rotating the sample, we adopted a modified VG Scienta R3000 analyzer with an acceptance angle of 60° as a high-resolution angle-resolved electron spectrometer. The system has been installed at the University-of-Tokyo Materials Science Outstation beamline, BL07LSU, at SPring-8. From the results of the line-scan profiles of the poly-Si/high-k gate patterns, we achieved a total spatial resolution better than 70 nm. The capability of our system for pinpoint depth-profile analysis and high-resolution chemical state analysis is demonstrated. © 2011 American Institute of Physics

Isolation and chemical analysis of nanoparticles from English ivy (Hedera helix L.)

Science.gov (United States)

Lenaghan, Scott C.; Burris, Jason N.; Chourey, Karuna; Huang, Yujian; Xia, Lijin; Lady, Belinda; Sharma, Ritin; Pan, Chongle; LeJeune, Zorabel; Foister, Shane; Hettich, Robert L.; Stewart, C. Neal; Zhang, Mingjun

2013-01-01

Bio-inspiration for novel adhesive development has drawn increasing interest in recent years with the discovery of the nanoscale morphology of the gecko footpad and mussel adhesive proteins. Similar to these animal systems, it was discovered that English ivy (Hedera helix L.) secretes a high strength adhesive containing uniform nanoparticles. Recent studies have demonstrated that the ivy nanoparticles not only contribute to the high strength of this adhesive, but also have ultraviolet (UV) protective abilities, making them ideal for sunscreen and cosmetic fillers, and may be used as nanocarriers for drug delivery. To make these applications a reality, the chemical nature of the ivy nanoparticles must be elucidated. In the current work, a method was developed to harvest bulk ivy nanoparticles from an adventitious root culture system, and the chemical composition of the nanoparticles was analysed. UV/visible spectroscopy, inductively coupled plasma mass spectrometry, Fourier transform infrared spectroscopy and electrophoresis were used in this study to identify the chemical nature of the ivy nanoparticles. Based on this analysis, we conclude that the ivy nanoparticles are proteinaceous. PMID:23883948

Direct Laser Ablation and Ionization of Solids for Chemical Analysis by Mass Spectrometry

Energy Technology Data Exchange (ETDEWEB)

Holt, J K; Nelson, E J; Klunder, G L [Forensic Science Center, Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States)

2007-04-15

A laser ablation/ionization mass spectrometer system is described for the direct chemical analysis of solids. An Nd:YAG laser is used for ablation and ionization of the sample in a quadrupole ion trap operated in an ion-storage (IS) mode that is coupled with a reflectron time-of-flight mass spectrometer (TOF-MS). Single pulse experiments have demonstrated simultaneous detection of up to 14 elements present in glasses in the ppm range. However, detection of the components has produced non-stoichiometric results due to difference in ionization potentials and fractionation effects. Time-of-flight secondary ionization mass spectrometry (TOF-SIMS) was used to spatially map elemental species on the surface and provide further evidence of fractionation effects. Resolution (m/{delta}m) of 1500 and detection limits of approximately 10 pg have been achieved with a single laser pulse. The system configuration and related operating principles for accurately measuring low concentrations of isotopes are described.

The challenge of predicting problematic chemicals using a decision analysis tool: Triclosan as a case study.

Science.gov (United States)

Perez, Angela L; Gauthier, Alison M; Ferracini, Tyler; Cowan, Dallas M; Kingsbury, Tony; Panko, Julie

2017-01-01

Manufacturers lack a reliable means for determining whether a chemical will be targeted for deselection from their supply chain. In this analysis, 3 methods for determining whether a specific chemical (triclosan) would meet the criteria necessary for being targeted for deselection are presented. The methods included a list-based approach, use of a commercially available chemical assessment software tool run in 2 modes, and a public interest evaluation. Our results indicated that triclosan was included on only 6 of the lists reviewed, none of which were particularly influential in chemical selection decisions. The results from the chemical assessment tool evaluations indicated that human and ecological toxicity for triclosan is low and received scores indicating that the chemical would be considered of low concern. However, triclosan's peak public interest tracked several years in advance of increased regulatory scrutiny of this chemical suggesting that public pressure may have been influential in deselection decisions. Key data gaps and toxicity endpoints not yet regulated such as endocrine disruption potential or phototoxicity, but that are important to estimate the trajectory for deselection of a chemical, are discussed. Integr Environ Assess Manag 2017;13:198-207. © 2016 SETAC. © 2016 SETAC.

Chemical and non-chemical stressors affecting childhood obesity: a systematic scoping review.

Science.gov (United States)

Lichtveld, Kim; Thomas, Kent; Tulve, Nicolle S

2018-01-01

Childhood obesity in the United States has doubled over the last three decades and currently affects 17% of children and adolescents. While much research has focused on individual behaviors impacting obesity, little research has emphasized the complex interactions of numerous chemical and non-chemical stressors found in a child's environment and how these interactions affect a child's health and well-being. The objectives of this systematic scoping review were to (1) identify potential chemical stressors in the context of non-chemical stressors that impact childhood obesity; and, (2) summarize our observations for chemical and non-chemical stressors in regards to child-specific environments within a community setting. A review was conducted to identify chemical and non-chemical stressors related to childhood obesity for the childhood life stages ranging from prenatal to adolescence. Stressors were identified and grouped into domains: individual behaviors, family/household behaviors, community stressors, and chemical exposures. Stressors were related to the child and the child's everyday environments and used to characterize child health and well-being. This review suggests that the interactions of chemical and non-chemical stressors are important for understanding a child's overall health and well-being. By considering these relationships, the exposure science research community can better design and implement strategies to reduce childhood obesity.

Crystal-Chemical Analysis of Soil at Rocknest, Gale Crater

Science.gov (United States)

Morrison, S. M.; Downs, R. T.; Blake, D. F.; Bish, D. L.; Ming, D. W.; Morris, R. V.; Yen, A. S.; Chipera, S. J.; Treiman, A. H.; Vaniman, D. T.;

Swelling behavior of ion exchange resins incorporated in tri-calcium silicate cement matrix: I. Chemical analysis

International Nuclear Information System (INIS)

Neji, M.; Bary, B.; Le Bescop, P.; Burlion, N.

2015-01-01

This paper presents the first part of a theoretical and experimental work aiming at modeling the chemo-mechanical behavior of composites made up of ion exchange resins (IER) solidified in a tri-calcium silicate cement paste (C_3S). Because of ion exchange processes, the volume change of the IER may cause internal pressures leading to the degradation of the material. In this study, a predictive modeling is developed for describing the chemical behavior of such material. It is based on thermodynamic equilibria to determine the evolution of the ion exchange processes, and the potential precipitation of portlandite in the composite. In parallel, a phenomenological study has been set up to understand chemical phenomena related to the swelling mechanisms. The model created has been finally implemented in a finite elements software; the simulation of a laboratory test has been performed and the results compared to experimental data. - Highlights: • Ion exchange theory to model the swelling behavior of Ion exchange resin. • Experimental phenomenon analysis about Chemo-mechanical interaction between IER and cement paste matrix. • Chemo-Transport modeling on a composite material made with IER embedded into cement paste matrix.

Analysis of a Stochastic Chemical System Close to a SNIPER Bifurcation of Its Mean-Field Model

KAUST Repository

Erban, Radek

2009-01-01

A framework for the analysis of stochastic models of chemical systems for which the deterministic mean-field description is undergoing a saddle-node infinite period (SNIPER) bifurcation is presented. Such a bifurcation occurs, for example, in the modeling of cell-cycle regulation. It is shown that the stochastic system possesses oscillatory solutions even for parameter values for which the mean-field model does not oscillate. The dependence of the mean period of these oscillations on the parameters of the model (kinetic rate constants) and the size of the system (number of molecules present) are studied. Our approach is based on the chemical Fokker-Planck equation. To gain some insight into the advantages and disadvantages of the method, a simple one-dimensional chemical switch is first analyzed, and then the chemical SNIPER problem is studied in detail. First, results obtained by solving the Fokker-Planck equation numerically are presented. Then an asymptotic analysis of the Fokker-Planck equation is used to derive explicit formulae for the period of oscillation as a function of the rate constants and as a function of the system size. © 2009 Society for Industrial and Applied Mathematics.

Control charts technique - a tool to data analysis for chemical experiments

International Nuclear Information System (INIS)

Yadav, M.B.; Venugopal, V.

1999-01-01

A procedure using control charts technique has been developed to analyse data of a chemical experiment which was conducted to assign a value to uranium content in Rb 2 U(SO 4 ) 3 . A value of (34.164 ± 0.031)% has been assigned against (34.167 ± 0.042)% already assigned by analysis of variance (ANOVA) technique. These values do not differ significantly. Merits and demerits of the two techniques have been discussed. (author)

Microbiological and chemical analysis of land snails commercialised in Sicily

Directory of Open Access Journals (Sweden)

Antonello Cicero

2015-05-01

Full Text Available In this study 160 samples of snails belonging to the species Helix aspersa maxima and Helix aspersa muller were examined for chemical and microbiological analysis. Samples came from Greece and Poland. Results showed mean concentration of cadmium (0.35±0.036 mg/kg and lead (0.05±0.013 mg/kg much higher than the limit of detection. Mercury levels in both species were not detected. Microbiological analysis revealed the absence of Salmonella spp. and Clostridium spp. in both examined species. E. coli and K. oxytoca were observed in Helix aspersa maxima and Helix aspersa muller. Furthermore, one case of fungi positivity in samples of Helix aspersa muller was found. The reported investigations highlight the need to create and adopt a reference legislation to protect the health of consumers.

Health-related quality of life of chemical warfare victims: an assessment with the use of a specific tool.

Science.gov (United States)

Biat Saeed, Khaled; Parandeh, Akram; Alhani, Fatemeh; Salaree, Mohammad Mehdi

2014-02-01

Exposure to chemical warfare gases significantly changes the quality of life (QoL) of victims and has significant chronic adverse effects. This study sought to assess the health-related QoL (HRQoL) of chemical victims by means of a tool specifically designed for this purpose. The correlation of their QoL with several demographic factors was evaluated as well. In this descriptive cross-sectional study, 120 chemical warfare victims were selected from subjects presenting to selected medical centers in Tehran in 2012 using convenience sampling. Two questionnaires of demographic information and HRQoL of chemical warfare victims (specific tool) were used for data collection. The data were analyzed using SPSS version 20 software (IBM, Armonk, NY, USA). The mean and standard deviation (mean ± SD) of scores obtained by chemical warfare victims in physical, psychosocial and spiritual domains was 39.6 ± 16.5, 42.1 ± 15.2 and 82.4 ± 15.4, respectively. Different age groups showed a significant difference in the psychosocial domain score (P chemical warfare victims, it can be used as strategically for these patients to help them cope with their injury and improve their physical and psychosocial health and QoL.

Chemical phase analysis of seed mediated synthesized anisotropic silver nanoparticles

International Nuclear Information System (INIS)

Bharti, Amardeep; Goyal, Navdeep; Singh, Suman; Singla, M. L.

2015-01-01

Noble-metal nanoparticles are of great interest because of its broad applications almost in every stream (i.e. biology, chemistry and engineering) due to their unique size/shape dependant properties. In this paper, chemical phase of seed mediated synthesized anisotropic silver nanoparticle (AgNPs) has been investigated via fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA). These nanaoparticles were synthesized by seed-growth method controlled by urea and dextrose results to highly stable 12-20 nm particle size revealed by zeta potential and transmission electron microscopy (TEM)

Possibilities of the chemical analysis of Scots pine (Pinus sylvestris) needles

International Nuclear Information System (INIS)

Viksna, A.

1999-01-01

Scots pine (Pinus sylvestris L.) is a good bio indicator. This species is widely distributed in Europe, including Latvia, is easily identified, and is used in bio indication studies. It is known that the concentrations of most elements in needles change with time. These changes are connected to the processes involved in the uptake, transportation, storage and retranslocation of the elements. Scots pine keeps their needles for several years (3 to 4 years) and are suitable for the study of time related processes. The chemical composition of pine needles is used for the study the deposition and impact of air pollutants. Coniferous needles are covered with epicuticular wax, which act as a trap for airborne deposits. A comparison of chemical composition of pine needles that were unwashed and washed with chloroform made it possible to distinguish which elements were on the needles and to evaluate the character of pollution. The most important stage of the analysis of pine needles is sampling. Nutrient concentrations in the needles of coniferous trees have been shown to vary with the needle age and tree age, the phase of the annual physiological cycle, availability of nutrients in the soil and needle position within the crown. It is very important to take representative sample for the analysis. In the current work the trace element concentrations of the single needle were analysed by electrothermal atomic absorption spectrometry (ETAAS) and total reflection X-ray spectrometry (TXRF). The results of analysis showed that concentration of some elements depends from the position of needle within branch for the same needle age class. The concentrations of trace elements in the single needles within main shoot were more or less constant compare with other order shoots at given needle age class. Some higher variations in the elemental concentrations between single needles were observed in the tip part of main shoot. The actual distribution of the elements within a needle has

X-ray photon-in/photon-out methods for chemical imaging

Energy Technology Data Exchange (ETDEWEB)

Marcus, Matthew A.

2010-03-24

Most interesting materials in nature are heterogeneous, so it is useful to have analytical techniques with spatial resolution sufficient to resolve these heterogeneities.This article presents the basics of X-ray photon-in/photon-out chemical imaging. This family of methods allows one to derive images reflectingthe chemical state of a given element in a complex sample, at micron or deep sub-micron scale. X-ray chemical imaging is relatively non-destructiveand element-selective, and requires minimal sample preparation. The article presents the basic concepts and some considerations of data takingand data analysis, along with some examples.

Operationalising UN security council resolution 1540: an overview of select practical activities in the chemical and biological weapon-related areas

International Nuclear Information System (INIS)

Hart, J.

2009-01-01

The UN member states are continuing to take measures to inter alia establish and effectively implement controls to prevent the proliferation of nuclear, biological and chemical weapons and their means of delivery in accordance with United Nations Security Council Resolution 1540 (2004). The resolution also encourages enhanced international cooperation on such efforts, including by working through the 1540 Committee. Most analyses on the implementation of the resolution have focused on nuclear issues. This presentation provides an overview of select practical activities in the chemical and biological weapon-related areas, including chemical product classification and identification, biosafety and biosecurity practices and criminal prosecutions for unauthorised chemical transfers.(author)

Development of Chemical Technology in Nuclear Fuel Cycle

International Nuclear Information System (INIS)

Jee, Kwang Yong; Kim, W. H.; Kim, J. S.

2007-06-01

This project mainly concentrates on the development of technologies related to elemental analysis for the mass balance of pyro-chemical process, on the development of in-line measurement system for high temperature molten salt, and on the development of radiation shielded LA-ICP-MS and micro-XRD system to evaluate the integrity of nuclear fuel. Chemical analysis methods for the quantitative determination of fissile elements, minor actinide elements, fission products, chemical additive and corrosion products in Uranium Metal Ingots are established. It will be applied to the evaluation of mass balance in electrolytic reduction process for the optimization of the process. Optical fiber based UV-VIS spectrophotometer combined with reaction cell was developed for the measurement of reactions in high temperature molten salt. This system is applicable to in-line monitoring of electro-refining process and contribute to clarify the chemical reactions. Radiation shielded LA-ICP-MS and micro-XRD systems are planned to be used for the analysis of isotopic distribution and structural changes from core to rim of spent nuclear fuel pellet, respectively. The developed techniques can contribute to produce database needed for authorization and practical use of ultra high burn-up fuel. In addition, it can be applicable to the other industries such as microelectronics, nano material science and semiconductor to analyze micro region

Rate and State Friction Relation for Nanoscale Contacts: Thermally Activated Prandtl-Tomlinson Model with Chemical Aging

Science.gov (United States)

Tian, Kaiwen; Goldsby, David L.; Carpick, Robert W.

2018-05-01

Rate and state friction (RSF) laws are widely used empirical relationships that describe macroscale to microscale frictional behavior. They entail a linear combination of the direct effect (the increase of friction with sliding velocity due to the reduced influence of thermal excitations) and the evolution effect (the change in friction with changes in contact "state," such as the real contact area or the degree of interfacial chemical bonds). Recent atomic force microscope (AFM) experiments and simulations found that nanoscale single-asperity amorphous silica-silica contacts exhibit logarithmic aging (increasing friction with time) over several decades of contact time, due to the formation of interfacial chemical bonds. Here we establish a physically based RSF relation for such contacts by combining the thermally activated Prandtl-Tomlinson (PTT) model with an evolution effect based on the physics of chemical aging. This thermally activated Prandtl-Tomlinson model with chemical aging (PTTCA), like the PTT model, uses the loading point velocity for describing the direct effect, not the tip velocity (as in conventional RSF laws). Also, in the PTTCA model, the combination of the evolution and direct effects may be nonlinear. We present AFM data consistent with the PTTCA model whereby in aging tests, for a given hold time, static friction increases with the logarithm of the loading point velocity. Kinetic friction also increases with the logarithm of the loading point velocity at sufficiently high velocities, but at a different increasing rate. The discrepancy between the rates of increase of static and kinetic friction with velocity arises from the fact that appreciable aging during static contact changes the energy landscape. Our approach extends the PTT model, originally used for crystalline substrates, to amorphous materials. It also establishes how conventional RSF laws can be modified for nanoscale single-asperity contacts to provide a physically based friction

Understanding consumption-related sucralose emissions - A conceptual approach combining substance-flow analysis with sampling analysis

Energy Technology Data Exchange (ETDEWEB)

Neset, Tina-Simone Schmid, E-mail: tina.schmid.neset@liu.se [Department of Water and Environmental Studies, Linkoeping University, SE-58183 Linkoeping (Sweden); Singer, Heinz; Longree, Philipp; Bader, Hans-Peter; Scheidegger, Ruth; Wittmer, Anita; Andersson, Jafet Clas Martin [Eawag, Swiss Federal Institute of Aquatic Science and Technology, Ueberlandstrasse 133, CH-8600 Duebendorf (Switzerland)

2010-07-15

This paper explores the potential of combining substance-flow modelling with water and wastewater sampling to trace consumption-related substances emitted through the urban wastewater. The method is exemplified on sucralose. Sucralose is a chemical sweetener that is 600 times sweeter than sucrose and has been on the European market since 2004. As a food additive, sucralose has recently increased in usage in a number of foods, such as soft drinks, dairy products, candy and several dietary products. In a field campaign, sucralose concentrations were measured in the inflow and outflow of the local wastewater treatment plant in Linkoeping, Sweden, as well as upstream and downstream of the receiving stream and in Lake Roxen. This allows the loads emitted from the city to be estimated. A method consisting of solid-phase extraction followed by liquid chromatography and high resolution mass spectrometry was used to quantify the sucralose in the collected surface and wastewater samples. To identify and quantify the sucralose sources, a consumption analysis of households including small business enterprises was conducted as well as an estimation of the emissions from the local food industry. The application of a simple model including uncertainty and sensitivity analysis indicates that at present not one large source but rather several small sources contribute to the load coming from households, small business enterprises and industry. This is in contrast to the consumption pattern seen two years earlier, which was dominated by one product. The inflow to the wastewater treatment plant decreased significantly from other measurements made two years earlier. The study shows that the combination of substance-flow modelling with the analysis of the loads to the receiving waters helps us to understand consumption-related emissions.

Understanding consumption-related sucralose emissions - A conceptual approach combining substance-flow analysis with sampling analysis

International Nuclear Information System (INIS)

Neset, Tina-Simone Schmid; Singer, Heinz; Longree, Philipp; Bader, Hans-Peter; Scheidegger, Ruth; Wittmer, Anita; Andersson, Jafet Clas Martin

2010-01-01

This paper explores the potential of combining substance-flow modelling with water and wastewater sampling to trace consumption-related substances emitted through the urban wastewater. The method is exemplified on sucralose. Sucralose is a chemical sweetener that is 600 times sweeter than sucrose and has been on the European market since 2004. As a food additive, sucralose has recently increased in usage in a number of foods, such as soft drinks, dairy products, candy and several dietary products. In a field campaign, sucralose concentrations were measured in the inflow and outflow of the local wastewater treatment plant in Linkoeping, Sweden, as well as upstream and downstream of the receiving stream and in Lake Roxen. This allows the loads emitted from the city to be estimated. A method consisting of solid-phase extraction followed by liquid chromatography and high resolution mass spectrometry was used to quantify the sucralose in the collected surface and wastewater samples. To identify and quantify the sucralose sources, a consumption analysis of households including small business enterprises was conducted as well as an estimation of the emissions from the local food industry. The application of a simple model including uncertainty and sensitivity analysis indicates that at present not one large source but rather several small sources contribute to the load coming from households, small business enterprises and industry. This is in contrast to the consumption pattern seen two years earlier, which was dominated by one product. The inflow to the wastewater treatment plant decreased significantly from other measurements made two years earlier. The study shows that the combination of substance-flow modelling with the analysis of the loads to the receiving waters helps us to understand consumption-related emissions.

A standard analysis method (SAM) for the automated analysis of polychlorinated biphenyls (PCBs) in soils using the chemical analysis automation (CAA) paradigm: validation and performance

International Nuclear Information System (INIS)

Rzeszutko, C.; Johnson, C.R.; Monagle, M.; Klatt, L.N.

1997-10-01

The Chemical Analysis Automation (CAA) program is developing a standardized modular automation strategy for chemical analysis. In this automation concept, analytical chemistry is performed with modular building blocks that correspond to individual elements of the steps in the analytical process. With a standardized set of behaviors and interactions, these blocks can be assembled in a 'plug and play' manner into a complete analysis system. These building blocks, which are referred to as Standard Laboratory Modules (SLM), interface to a host control system that orchestrates the entire analytical process, from sample preparation through data interpretation. The integrated system is called a Standard Analysis Method (SAME). A SAME for the automated determination of Polychlorinated Biphenyls (PCB) in soils, assembled in a mobile laboratory, is undergoing extensive testing and validation. The SAME consists of the following SLMs: a four channel Soxhlet extractor, a High Volume Concentrator, column clean up, a gas chromatograph, a PCB data interpretation module, a robot, and a human- computer interface. The SAME is configured to meet the requirements specified in U.S. Environmental Protection Agency's (EPA) SW-846 Methods 3541/3620A/8082 for the analysis of pcbs in soils. The PCB SAME will be described along with the developmental test plan. Performance data obtained during developmental testing will also be discussed

Stellar Absorption Line Analysis of Local Star-forming Galaxies: The Relation between Stellar Mass, Metallicity, Dust Attenuation, and Star Formation Rate

Energy Technology Data Exchange (ETDEWEB)

Jabran Zahid, H. [Smithsonian Astrophysical Observatory, Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Kudritzki, Rolf-Peter; Ho, I-Ting [University of Hawaii at Manoa, Institute for Astronomy, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); Conroy, Charlie [Department of Astronomy, Harvard University, Cambridge, MA, 02138 (United States); Andrews, Brett, E-mail: zahid@cfa.harvard.edu [PITT PACC, Department of Physics and Astronomy, University of Pittsburgh, 3941 O’Hara Street, Pittsburgh, PA 15260 (United States)

2017-09-20

We analyze the optical continuum of star-forming galaxies in the Sloan Digital Sky Survey by fitting stacked spectra with stellar population synthesis models to investigate the relation between stellar mass, stellar metallicity, dust attenuation, and star formation rate. We fit models calculated with star formation and chemical evolution histories that are derived empirically from multi-epoch observations of the stellar mass–star formation rate and the stellar mass–gas-phase metallicity relations, respectively. We also fit linear combinations of single-burst models with a range of metallicities and ages. Star formation and chemical evolution histories are unconstrained for these models. The stellar mass–stellar metallicity relations obtained from the two methods agree with the relation measured from individual supergiant stars in nearby galaxies. These relations are also consistent with the relation obtained from emission-line analysis of gas-phase metallicity after accounting for systematic offsets in the gas-phase metallicity. We measure dust attenuation of the stellar continuum and show that its dependence on stellar mass and star formation rate is consistent with previously reported results derived from nebular emission lines. However, stellar continuum attenuation is smaller than nebular emission line attenuation. The continuum-to-nebular attenuation ratio depends on stellar mass and is smaller in more massive galaxies. Our consistent analysis of stellar continuum and nebular emission lines paves the way for a comprehensive investigation of stellar metallicities of star-forming and quiescent galaxies.

Stellar Absorption Line Analysis of Local Star-forming Galaxies: The Relation between Stellar Mass, Metallicity, Dust Attenuation, and Star Formation Rate

International Nuclear Information System (INIS)

Jabran Zahid, H.; Kudritzki, Rolf-Peter; Ho, I-Ting; Conroy, Charlie; Andrews, Brett

2017-01-01

We analyze the optical continuum of star-forming galaxies in the Sloan Digital Sky Survey by fitting stacked spectra with stellar population synthesis models to investigate the relation between stellar mass, stellar metallicity, dust attenuation, and star formation rate. We fit models calculated with star formation and chemical evolution histories that are derived empirically from multi-epoch observations of the stellar mass–star formation rate and the stellar mass–gas-phase metallicity relations, respectively. We also fit linear combinations of single-burst models with a range of metallicities and ages. Star formation and chemical evolution histories are unconstrained for these models. The stellar mass–stellar metallicity relations obtained from the two methods agree with the relation measured from individual supergiant stars in nearby galaxies. These relations are also consistent with the relation obtained from emission-line analysis of gas-phase metallicity after accounting for systematic offsets in the gas-phase metallicity. We measure dust attenuation of the stellar continuum and show that its dependence on stellar mass and star formation rate is consistent with previously reported results derived from nebular emission lines. However, stellar continuum attenuation is smaller than nebular emission line attenuation. The continuum-to-nebular attenuation ratio depends on stellar mass and is smaller in more massive galaxies. Our consistent analysis of stellar continuum and nebular emission lines paves the way for a comprehensive investigation of stellar metallicities of star-forming and quiescent galaxies.

Advances on a Decision Analytic Approach to Exposure-Based Chemical Prioritization.

Science.gov (United States)

Wood, Matthew D; Plourde, Kenton; Larkin, Sabrina; Egeghy, Peter P; Williams, Antony J; Zemba, Valerie; Linkov, Igor; Vallero, Daniel A

2018-05-11

The volume and variety of manufactured chemicals is increasing, although little is known about the risks associated with the frequency and extent of human exposure to most chemicals. The EPA and the recent signing of the Lautenberg Act have both signaled the need for high-throughput methods to characterize and screen chemicals based on exposure potential, such that more comprehensive toxicity research can be informed. Prior work of Mitchell et al. using multicriteria decision analysis tools to prioritize chemicals for further research is enhanced here, resulting in a high-level chemical prioritization tool for risk-based screening. Reliable exposure information is a key gap in currently available engineering analytics to support predictive environmental and health risk assessments. An elicitation with 32 experts informed relative prioritization of risks from chemical properties and human use factors, and the values for each chemical associated with each metric were approximated with data from EPA's CP_CAT database. Three different versions of the model were evaluated using distinct weight profiles, resulting in three different ranked chemical prioritizations with only a small degree of variation across weight profiles. Future work will aim to include greater input from human factors experts and better define qualitative metrics. © 2018 Society for Risk Analysis.

Sensitivity analysis and related analysis : A survey of statistical techniques

NARCIS (Netherlands)

Kleijnen, J.P.C.

1995-01-01

This paper reviews the state of the art in five related types of analysis, namely (i) sensitivity or what-if analysis, (ii) uncertainty or risk analysis, (iii) screening, (iv) validation, and (v) optimization. The main question is: when should which type of analysis be applied; which statistical

Meta-analysis of toxicity and teratogenicity of 133 chemicals from zebrafish developmental toxicity studies

Science.gov (United States)

Zebrafish developmental toxicity testing is an emerging field, which faces considerable challenges regarding data meta-analysis and the establishment of standardized test protocols. Here, we present an initial correlation study on toxicity of 133 chemicals based on data in the li...

Risk analysis under uncertainty, the precautionary principle, and the new EU chemicals strategy.

Science.gov (United States)

Rogers, Michael D

2003-06-01

Three categories of uncertainty in relation to risk assessment are defined; uncertainty in effect, uncertainty in cause, and uncertainty in the relationship between a hypothesised cause and effect. The Precautionary Principle (PP) relates to the third type of uncertainty. Three broad descriptions of the PP are set out, uncertainty justifies action, uncertainty requires action, and uncertainty requires a reversal of the burden of proof for risk assessments. The application of the PP is controversial but what matters in practise is the precautionary action (PA) that follows. The criteria by which the PAs should be judged are detailed. This framework for risk assessment and management under uncertainty is then applied to the envisaged European system for the regulation of chemicals. A new EU regulatory system has been proposed which shifts the burden of proof concerning risk assessments from the regulator to the producer, and embodies the PP in all three of its main regulatory stages. The proposals are critically discussed in relation to three chemicals, namely, atrazine (an endocrine disrupter), cadmium (toxic and possibly carcinogenic), and hydrogen fluoride (a toxic, high-production-volume chemical). Reversing the burden of proof will speed up the regulatory process but the examples demonstrate that applying the PP appropriately, and balancing the countervailing risks and the socio-economic benefits, will continue to be a difficult task for the regulator. The paper concludes with a discussion of the role of precaution in the management of change and of the importance of trust in the effective regulation of uncertain risks.

Quantitative chemical state XPS analysis of first row transition metals, oxides and hydroxides

International Nuclear Information System (INIS)

Biesinger, M C; Payne, B P; McIntryre, N S; Hart, B R; Lau, L Wm; Grosvenor, A P; Smart, R StC

2008-01-01

Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity of their M 2p spectra. Complex multiplet splitting, shake-up and plasmon loss structure can play a role in the interpretation of the chemical states present. This paper will show practical curve fitting procedures for the quantitative measurement of different chemical states for metal oxides and hydroxides from a survey of transition metals. It will also discuss some of the limitations and pitfalls present as well as give practical examples of their successful use. These curve-fitting procedures are based on 1) standard spectra from quality reference samples, 2) a survey of appropriate literature databases and/or a compilation of literature references, 3) fitting of multiplet split spectra based on spectra of numerous reference materials and theoretical modelling, 4) spectral subtractions routines, again using reference spectra, and 5) specific literature references where fitting procedures are available

Quantitative chemical state XPS analysis of first row transition metals, oxides and hydroxides

Energy Technology Data Exchange (ETDEWEB)

Biesinger, M C; Payne, B P; McIntryre, N S [Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Hart, B R; Lau, L Wm [Surface Science Western, Room G1, Western Science Centre, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Grosvenor, A P [Department of Chemistry, Gunning/Lemieux Chemistry Centre, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada); Smart, R StC [ACeSSS, Applied Centre for Structural and Synchrotron Studies, University of South Australia, Mawson Lakes, SA 5095 (Australia)], E-mail: biesingr@uwo.ca

2008-03-15

Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity of their M 2p spectra. Complex multiplet splitting, shake-up and plasmon loss structure can play a role in the interpretation of the chemical states present. This paper will show practical curve fitting procedures for the quantitative measurement of different chemical states for metal oxides and hydroxides from a survey of transition metals. It will also discuss some of the limitations and pitfalls present as well as give practical examples of their successful use. These curve-fitting procedures are based on 1) standard spectra from quality reference samples, 2) a survey of appropriate literature databases and/or a compilation of literature references, 3) fitting of multiplet split spectra based on spectra of numerous reference materials and theoretical modelling, 4) spectral subtractions routines, again using reference spectra, and 5) specific literature references where fitting procedures are available.

A large scale analysis of information-theoretic network complexity measures using chemical structures.

Directory of Open Access Journals (Sweden)

Matthias Dehmer

Full Text Available This paper aims to investigate information-theoretic network complexity measures which have already been intensely used in mathematical- and medicinal chemistry including drug design. Numerous such measures have been developed so far but many of them lack a meaningful interpretation, e.g., we want to examine which kind of structural information they detect. Therefore, our main contribution is to shed light on the relatedness between some selected information measures for graphs by performing a large scale analysis using chemical networks. Starting from several sets containing real and synthetic chemical structures represented by graphs, we study the relatedness between a classical (partition-based complexity measure called the topological information content of a graph and some others inferred by a different paradigm leading to partition-independent measures. Moreover, we evaluate the uniqueness of network complexity measures numerically. Generally, a high uniqueness is an important and desirable property when designing novel topological descriptors having the potential to be applied to large chemical databases.

Chemical and spectrochemical production analysis of ThO2 and 233UO2-ThO2 pellets for the light water breeder reactor core for Shippingport (LWBR development program)

International Nuclear Information System (INIS)

Bukowski, J.F.; Hollis, E.D.

1975-06-01

The Bettis Atomic Power Laboratory has utilized wet chemical, emission spectrochemical, and mass spectrometric analytical techniques for the production analysis of the ThO 2 and 233 UO 2 -ThO 2 (1 to 6 wt percent 233 UO 2 ) pellets for the Light Water Breeder Reactor (LWBR) core for Shippingport. Proof of the fuel breeding concept necessitates measurement of precise and accurate chemical characterization of all fuel pellets before core life. Chemistry's efforts toward this goal are presented in three main sections: (1) general discussions relating the chemical requirements for ThO 2 and 233 UO 2 -ThO 2 core materials to the analytical capabilities, (2) technical discussions of the chemical and instrumental technology applied for the analysis of aluminum, boron, calcium, carbon, chloride plus bromide, chromium, cobalt, copper, dysprosium, europium, fluoride, gadolinium, iron, magnesium, manganese, mercury, molybdenum, nickel, nitrogen, samarium, silicon, titanium, vanadium, thorium, and uranium (total, trace, and uranium VI), and (3) a formal presentation of the analytical procedures as applied to the LWBR Development Program. (U.S.)

Assessing the state of the art in biomedical relation extraction: overview of the BioCreative V chemical-disease relation (CDR) task.

Science.gov (United States)

Wei, Chih-Hsuan; Peng, Yifan; Leaman, Robert; Davis, Allan Peter; Mattingly, Carolyn J; Li, Jiao; Wiegers, Thomas C; Lu, Zhiyong

2016-01-01

Manually curating chemicals, diseases and their relationships is significantly important to biomedical research, but it is plagued by its high cost and the rapid growth of the biomedical literature. In recent years, there has been a growing interest in developing computational approaches for automatic chemical-disease relation (CDR) extraction. Despite these attempts, the lack of a comprehensive benchmarking dataset has limited the comparison of different techniques in order to assess and advance the current state-of-the-art. To this end, we organized a challenge task through BioCreative V to automatically extract CDRs from the literature. We designed two challenge tasks: disease named entity recognition (DNER) and chemical-induced disease (CID) relation extraction. To assist system development and assessment, we created a large annotated text corpus that consisted of human annotations of chemicals, diseases and their interactions from 1500 PubMed articles. 34 teams worldwide participated in the CDR task: 16 (DNER) and 18 (CID). The best systems achieved an F-score of 86.46% for the DNER task--a result that approaches the human inter-annotator agreement (0.8875)--and an F-score of 57.03% for the CID task, the highest results ever reported for such tasks. When combining team results via machine learning, the ensemble system was able to further improve over the best team results by achieving 88.89% and 62.80% in F-score for the DNER and CID task, respectively. Additionally, another novel aspect of our evaluation is to test each participating system's ability to return real-time results: the average response time for each team's DNER and CID web service systems were 5.6 and 9.3 s, respectively. Most teams used hybrid systems for their submissions based on machining learning. Given the level of participation and results, we found our task to be successful in engaging the text-mining research community, producing a large annotated corpus and improving the results of

The approach to risk analysis in three industries: nuclear power, space systems, and chemical process

International Nuclear Information System (INIS)

Garrick, B.J.

1988-01-01

The aerospace, nuclear power, and chemical processing industries are providing much of the incentive for the development and application of advanced risk analysis techniques to engineered systems. Risk analysis must answer three basic questions: What can go wrong? How likely is it? and What are the consequences? The result of such analyses is not only a quantitative answer to the question of 'What is the risk', but, more importantly, a framework for intelligent and visible risk management. Because of the societal importance of the subject industries and the amount of risk analysis activity involved in each, it is interesting to look for commonalities, differences, and, hopefully, a basis for some standardization. Each industry has its strengths: the solid experience base of the chemical industry, the extensive qualification and testing procedures of the space industry, and the integrative and quantitative risk and reliability methodologies developed for the nuclear power industry. In particular, most advances in data handling, systems interaction modeling, and uncertainty analysis have come from the probabilistic risk assessment work in the nuclear safety field. In the final analysis, all three industries would greatly benefit from a more deliberate technology exchange program in the rapidly evolving discipline of quantitative risk analysis. (author)

Buying drugs on a Darknet market: A better deal? Studying the online illicit drug market through the analysis of digital, physical and chemical data.

Science.gov (United States)

Rhumorbarbe, Damien; Staehli, Ludovic; Broséus, Julian; Rossy, Quentin; Esseiva, Pierre

2016-10-01

Darknet markets, also known as cryptomarkets, are websites located on the Darknet and designed to allow the trafficking of illicit products, mainly drugs. This study aims at presenting the added value of combining digital, chemical and physical information to reconstruct sellers' activities. In particular, this research focuses on Evolution, one of the most popular cryptomarkets active from January 2014 to March 2015. Evolution source code files were analysed using Python scripts based on regular expressions to extract information about listings (i.e., sales proposals) and sellers. The results revealed more than 48,000 listings and around 2700 vendors claiming to send illicit drug products from 70 countries. The most frequent categories of illicit drugs offered by vendors were cannabis-related products (around 25%) followed by ecstasy (MDA, MDMA) and stimulants (cocaine, speed). The cryptomarket was then especially studied from a Swiss point of view. Illicit drugs were purchased from three sellers located in Switzerland. The purchases were carried out to confront digital information (e.g., the type of drug, the purity, the shipping country and the concealment methods mentioned on listings) with the physical analysis of the shipment packaging and the chemical analysis of the received product (purity, cutting agents, chemical profile based on minor and major alkaloids, chemical class). The results show that digital information, such as concealment methods and shipping country, seems accurate. But the illicit drugs purity is found to be different from the information indicated on their respective listings. Moreover, chemical profiling highlighted links between cocaine sold online and specimens seized in Western Switzerland. This study highlights that (1) the forensic analysis of the received products allows the evaluation of the accuracy of digital data collected on the website, and (2) the information from digital and physical/chemical traces are complementary to

Analysis of chemical signatures of alkaliphiles using fatty acid methyl ester analysis

Directory of Open Access Journals (Sweden)

Basha Sreenivasulu

2017-01-01

Full Text Available Background: Fatty acids occur in nearly all living organisms as the important predominant constituents of lipids. While all fatty acids have essentially the same chemical nature, they are an extremely diverse group of compounds. Materials and Methods: To test the hypothesis, fatty acids of alkaliphiles isolates, Bacillus subtilis SVUNM4, Bacillus licheniformis SVUNM8, Bacillus methylotrohicus SVUNM9, and Paenibacillus dendritiformis SVUNM11, were characterized compared using gas chromatography-mass spectrometry (GC-MS analysis. Results: The content of investigated ten fatty acids, 1, 2-benzenedicarboxylic acid butyl 2-methylpropyl ester, phthalic acid, isobutyl 2-pentyl ester, dibutyl phthalate, cyclotrisiloxane, hexamethyl, cyclotetrasiloxane, octamethyl, dodecamethyl, heptasiloxane 1,1,3,3,5,5,7,7,9,9,11,11,13,13-etradecamethyl, 7,15-dihydroxydehydroabietic acid, methyl ester, di (trimethylsilyl ether, hentriacontane, 2-thiopheneacetic acid, undec-2-enyl ester, obviously varied among four species, suggesting each species has its own fatty acid pattern. Conclusions: These findings demonstrated that GC-MS-based fatty acid profiling analysis provides the reliable platform to classify these four species, which is helpful for ensuring their biotechnological interest and novel chemotaxonomic.

Chemical evaluation of electronic cigarettes.

Science.gov (United States)

Cheng, Tianrong

2014-05-01

To review the available evidence evaluating the chemicals in refill solutions, cartridges, aerosols and environmental emissions of electronic cigarettes (e-cigarettes). Systematic literature searches were conducted to identify research related to e-cigarettes and chemistry using 5 reference databases and 11 search terms. The search date range was January 2007 to September 2013. The search yielded 36 articles, of which 29 were deemed relevant for analysis. The levels of nicotine, tobacco-specific nitrosamines (TSNAs), aldehydes, metals, volatile organic compounds (VOCs), flavours, solvent carriers and tobacco alkaloids in e-cigarette refill solutions, cartridges, aerosols and environmental emissions vary considerably. The delivery of nicotine and the release of TSNAs, aldehydes and metals are not consistent across products. Furthermore, the nicotine level listed on the labels of e-cigarette cartridges and refill solutions is often significantly different from measured values. Phenolic compounds, polycyclic aromatic hydrocarbons and drugs have also been reported in e-cigarette refill solutions, cartridges and aerosols. Varying results in particle size distributions of particular matter emissions from e-cigarettes across studies have been observed. Methods applied for the generation and chemical analyses of aerosols differ across studies. Performance characteristics of e-cigarette devices also vary across and within brands. Additional studies based on knowledge of e-cigarette user behaviours and scientifically validated aerosol generation and chemical analysis methods would be helpful in generating reliable measures of chemical quantities. This would allow comparisons of e-cigarette aerosol and traditional smoke constituent levels and would inform an evaluation of the toxicity potential of e-cigarettes.

Chemical evaluation of electronic cigarettes

Science.gov (United States)

Cheng, Tianrong

2014-01-01

Objective To review the available evidence evaluating the chemicals in refill solutions, cartridges, aerosols and environmental emissions of electronic cigarettes (e-cigarettes). Methods Systematic literature searches were conducted to identify research related to e-cigarettes and chemistry using 5 reference databases and 11 search terms. The search date range was January 2007 to September 2013. The search yielded 36 articles, of which 29 were deemed relevant for analysis. Results The levels of nicotine, tobacco-specific nitrosamines (TSNAs), aldehydes, metals, volatile organic compounds (VOCs), flavours, solvent carriers and tobacco alkaloids in e-cigarette refill solutions, cartridges, aerosols and environmental emissions vary considerably. The delivery of nicotine and the release of TSNAs, aldehydes and metals are not consistent across products. Furthermore, the nicotine level listed on the labels of e-cigarette cartridges and refill solutions is often significantly different from measured values. Phenolic compounds, polycyclic aromatic hydrocarbons and drugs have also been reported in e-cigarette refill solutions, cartridges and aerosols. Varying results in particle size distributions of particular matter emissions from e-cigarettes across studies have been observed. Methods applied for the generation and chemical analyses of aerosols differ across studies. Performance characteristics of e-cigarette devices also vary across and within brands. Conclusions Additional studies based on knowledge of e-cigarette user behaviours and scientifically validated aerosol generation and chemical analysis methods would be helpful in generating reliable measures of chemical quantities. This would allow comparisons of e-cigarette aerosol and traditional smoke constituent levels and would inform an evaluation of the toxicity potential of e-cigarettes. PMID:24732157

Analysis of very thin organic fibres by means of small spots electron spectroscopy for chemical analysis

International Nuclear Information System (INIS)

Daiser, S.M.; Cormia, R.D.; Scharpen, L.

1985-01-01

ESCA analysis of very thin organic fibres as small as a few micrometer diameter is now possible using the small spot X-ray capability of the SSX100 ESCA system. The sampling method involves suspending the material in the SSX100 chamber, and illuminating it with a monochromatized X-ray beam of 150-300 μm diameter. From the small spot ESCA spectra one can determine the chemical character of the organic layer and the thickness. (Author)

Anions Analysis in Ground and Tap Waters by Sequential Chemical and CO2-Suppressed Ion Chromatography

Directory of Open Access Journals (Sweden)

Glen Andrew D. De Vera

2011-06-01

Full Text Available An ion chromatographic method using conductivity detection with sequential chemical and CO2 suppression was optimized for the simultaneous determination of fluoride, chloride, bromide, nitrate,phosphate and sulfate in ground and tap water. The separation was done using an anion exchange column with an eluent of 3.2 mM Na2CO3 and 3.2 mM NaHCO3 mixture. The method was linear in the concentration range of 5 to 300 μg/L with correlation coefficients greater than 0.99 for the six inorganic anions. The method was also shown to be applicable in trace anions analysis as given by the low method detection limits (MDL. The MDL was 1μg/L for both fluoride and chloride. Bromide, nitrate, phosphate and sulfate had MDLs of 7 μg/L, 10 μg/L, 9 μg/L and 2 μg/L, respectively. Good precision was obtained as shown in the relative standard deviation of 0.1 to 12% for peak area and 0.1 to 0.3% for retention time. The sensitivity of the method improved with the addition of CO2 suppressor to chemical suppression as shown in the lower background conductivity and detection limits. The recoveries of the anions spiked in water at 300 μg/L level ranged from 100 to 104%. The method was demonstrated to be sensitive, accurate and precise for trace analysis of the six anions and was applied in the anions analysis in ground and tap waters in Malolos, Bulacan. The water samples were found to contain high concentrations of chloride of up to 476 mg/L followed by sulfate (38 mg/L, bromide (1 mg/L, phosphate (0.4 mg/L, fluoride (0.2 mg/L and nitrate (0.1 mg/L.

Quality of life in chemical warfare survivors with ophthalmologic injuries: the first results form Iran Chemical Warfare Victims Health Assessment Study.

Science.gov (United States)

Mousavi, Batool; Soroush, Mohammad Reza; Montazeri, Ali

2009-01-19

Iraq used chemical weapons extensively against the Iranians during the Iran-Iraq war (1980-1988). The aim of this study was to assess the health related quality of life (HRQOL) in people who had ophthalmologic complications due to the sulfur mustard gas exposure during the war. The Veterans and Martyrs Affair Foundation (VMAF) database indicated that there were 196 patients with severe ophthalmologic complications due to chemical weapons exposure. Of these, those who gave consent (n = 147) entered into the study. Quality of life was measured using the 36-item Short Form Health Survey (SF-36) and scores were compared to those of the general public. In addition logistic regression analysis was performed to indicate variables that contribute to physical and mental health related quality of life. The mean age of the patients was 44.8 (SD = 8.7) ranging from 21 to 75 years. About one-third of the cases (n= 50) reported exposure to chemical weapons more than once. The mean exposure duration to sulfur mustard gas was 21.6 years (SD = 1.2). The lowest scores on the SF-36 subscales were found to be: the role physical and the general health. Quality of life in chemical warfare victims who had ophthalmologic problems was significantly lower than the general public (P chemical warfare victims with ophthalmologic complications suffer from poor health related quality of life. It seems that the need for provision of health and support for this population is urgent. In addition, further research is necessary to measure health related quality of life in victims with different types of disabilities in order to support and enhance quality of life among this population.

Effects of anticaking agents and relative humidity on the physical and chemical stability of powdered vitamin C.

Science.gov (United States)

Lipasek, Rebecca A; Taylor, Lynne S; Mauer, Lisa J

2011-09-01

Vitamin C is an essential nutrient that is widely used by the food industry in the powder form for both its nutritional and functional properties. However, vitamin C is deliquescent, and deliquescence has been linked to physical and chemical instabilities. Anticaking agents are often added to powder systems to delay or prevent caking, but little is known about their effect on the chemical stability of powders. In this study, various anticaking agents (calcium phosphate, calcium silicate, calcium stearate, corn starch, and silicon dioxide) were combined with sodium ascorbate at 2% and 50% w/w ratios and stored at various relative humidities (23%, 43%, 64%, 75%, 85%, and 98% RHs). Chemical and physical stability and moisture sorption were monitored over time. Additionally, saturated solution samples were stored at various pHs to determine the effect of surface pH and dissolution on the vitamin degradation rate. Storage RH, time, and anticaking agent type and ratio all significantly affected (P vitamin C stability. Silicon dioxide and calcium silicate (50% w/w) and calcium stearate (at both ratios) were the only anticaking agents to improve the physical stability of powdered sodium ascorbate while none of the anticaking agents improved its chemical stability. However, corn starch and calcium stearate had the least adverse effect on chemical stability. Dissolution rate and pH were also important factors affecting the chemical and physical stability of the powders. Therefore, monitoring storage environmental conditions and anticaking agent usage are important for understanding the stability of vitamin C. Anticaking agent type and ratio significantly affected the physical and chemical stability of vitamin C over time and over a range of RHs. No anticaking agent improved the chemical stability of the vitamin, and most caused an increase in chemical degradation even if physical stability was improved. It is possible that anticaking agents would greatly affect other

Probabilistic analysis and related topics

CERN Document Server

Bharucha-Reid, A T

1979-01-01

Probabilistic Analysis and Related Topics, Volume 2 focuses on the integrability, continuity, and differentiability of random functions, as well as functional analysis, measure theory, operator theory, and numerical analysis.The selection first offers information on the optimal control of stochastic systems and Gleason measures. Discussions focus on convergence of Gleason measures, random Gleason measures, orthogonally scattered Gleason measures, existence of optimal controls without feedback, random necessary conditions, and Gleason measures in tensor products. The text then elaborates on an

Chemical and sequential analysis of some metals in sediments from the North Coast of the Gulf of Mexico

International Nuclear Information System (INIS)

Trinidad Martinez; Brenda Estanol; Miguel Angel Zuniga

2016-01-01

Sediments collected from the North Coast of the Gulf of Mexico got carefully mixed, dried, and finally subjected to physical and chemical analysis. Metal concentration was determined by energy dispersive X-ray fluorescence (EDXRF). Sequential chemical analysis was performed by modified TESSIER technique. Results and statistical analysis (α = 0.05) show concentrations of most elements (excepting Mn, Ca, Ga, As and Pb) in the range of those of the earth crust's values, which set a sampling zone base line. Sequential extraction shows the potential risk of mobilization of metals sequestered in particulate phases by oxidation of anoxic sediments or intense organic matter degradation. (author)

Overview on Analysis of Free Metabolites for Detection of Exposure to Chemical Warfare Agents

Directory of Open Access Journals (Sweden)

Grigoriu Nicoleta

2015-06-01

Full Text Available Chemical warfare agents (CWA’s induce complex toxicological effects with major adverse consequences for those exposed. For many chemical agents there is a need for research and development of analytical toxicological methods for a rapid and certain confirmation of those exposures. The certain methods will help for establishing the laboratory diagnosis for applying the proper therapy; the treatment of only contaminated people, decreasing the stress level in the medical community in management of crisis situations, increasing the survival rate of the population exposed to the contamination, supervision of professional exposure, judicial analysis in case of suspicious terrorist activities.

Advancements in mass spectrometry for biological samples: Protein chemical cross-linking and metabolite analysis of plant tissues

Energy Technology Data Exchange (ETDEWEB)

Klein, Adam [Iowa State Univ., Ames, IA (United States)

2015-01-01

This thesis presents work on advancements and applications of methodology for the analysis of biological samples using mass spectrometry. Included in this work are improvements to chemical cross-linking mass spectrometry (CXMS) for the study of protein structures and mass spectrometry imaging and quantitative analysis to study plant metabolites. Applications include using matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI) to further explore metabolic heterogeneity in plant tissues and chemical interactions at the interface between plants and pests. Additional work was focused on developing liquid chromatography-mass spectrometry (LC-MS) methods to investigate metabolites associated with plant-pest interactions.

Near Infrared Microspectroscopy, Fluorescence Microspectroscopy, Infrared Chemical Imaging and High Resolution Nuclear Magnetic Resonance Analysis of Soybean Seeds, Somatic Embryos and Single Cells

CERN Document Server

Baianu, I C; Hofmann, N E; Korban, S S; Lozano, P; You, T; AOCS 94th Meeting, Kansas

2002-01-01

Novel methodologies are currently being developed and established for the chemical analysis of soybean seeds, embryos and single cells by Fourier Transform Infrared (FT-IR), Fourier Transform Near Infrared (FT-NIR) Microspectroscopy, Fluorescence and High-Resolution NMR (HR-NMR). The first FT-NIR chemical images of biological systems approaching one micron resolution are presented here. Chemical images obtained by FT-NIR and FT-IR Microspectroscopy are presented for oil in soybean seeds and somatic embryos under physiological conditions. FT-NIR spectra of oil and proteins were obtained for volumes as small as two cubic microns. Related, HR-NMR analyses of oil contents in somatic embryos are also presented here with nanoliter precision. Such 400 MHz 1H NMR analyses allowed the selection of mutagenized embryos with higher oil content (e.g. ~20%) compared to non-mutagenized control embryos. Moreover, developmental changes in single soybean seeds and/or somatic embryos may be monitored by FT-NIR with a precision ...

Human biomonitoring after chemical incidents and during short-term maintenance work as a tool for exposure analysis and assessment.

Science.gov (United States)

Bader, M; Van Weyenbergh, T; Verwerft, E; Van Pul, J; Lang, S; Oberlinner, C

2014-12-15

Human biomonitoring (HBM) is frequently used for the analysis and assessment of exposure to chemicals under routine working conditions. In recent years, HBM has also been applied to monitor the exposure of the general population, and of emergency responders in the aftermath of chemical incidents. Two examples of targeted HBM programs in the chemical industry are described and discussed in this paper: (1) analysis and assessment of the exposure of firefighters and chemical workers after the spill of p-chloroaniline from a burning chemical barrel, and (2) biomonitoring of maintenance workers potentially exposed to benzene during regular turnarounds. The results of these investigations underline that human biomonitoring contributes substantially to comprehensive exposure analyses, human health risk assessments and communication. In addition, regular HBM surveillance and feedback can assist in the continuous improvement of workplace safety measures and exposure control. In conclusion, data on accidental or short-term exposure to hazardous chemicals are an important source of information for the further development of limit and assessment values, the validation of biomarkers and of targeted HBM programs for both routine monitoring and disaster management. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Analysis of chemical warfare agents in organic liquid samples with magnetic dispersive solid phase extraction and gas chromatography mass spectrometry for verification of the chemical weapons convention.

Science.gov (United States)

Singh, Varoon; Purohit, Ajay Kumar; Chinthakindi, Sridhar; Goud, Raghavender D; Tak, Vijay; Pardasani, Deepak; Shrivastava, Anchal Roy; Dubey, Devendra Kumar

2016-05-27

A simple, sensitive and low temperature sample preparation method is developed for detection and identification of Chemical Warfare Agents (CWAs) and scheduled esters in organic liquid using magnetic dispersive solid phase extraction (MDSPE) followed by gas chromatography-mass spectrometry analysis. The method utilizes Iron oxide@Poly(methacrylic acid-co-ethylene glycol dimethacrylate) resin (Fe2O3@Poly(MAA-co-EGDMA)) as sorbent. Variants of these sorbents were prepared by precipitation polymerization of methacrylic acid-co-ethylene glycol dimethacrylate (MAA-co-EGDMA) onto Fe2O3 nanoparticles. Fe2O3@poly(MAA-co-EGDMA) with 20% MAA showed highest recovery of analytes. Extractions were performed with magnetic microspheres by MDSPE. Parameters affecting the extraction efficiency were studied and optimized. Under the optimized conditions, method showed linearity in the range of 0.1-3.0μgmL(-1) (r(2)=0.9966-0.9987). The repeatability and reproducibility (relative standard deviations (RSDs) %) were in the range of 4.5-7.6% and 3.4-6.2% respectively for organophosphorous esters in dodecane. Limits of detection (S/N=3/1) and limit of quantification (S/N=10/1) were found to be in the range of 0.05-0.1μgmL(-1) and 0.1-0.12μgmL(-1) respectively in SIM mode for selected analytes. The method was successfully validated and applied to the extraction and identification of targeted analytes from three different organic liquids i.e. n-hexane, dodecane and silicon oil. Recoveries ranged from 58.7 to 97.3% and 53.8 to 95.5% at 3μgmL(-1) and 1μgmL(-1) spiking concentrations. Detection of diethyl methylphosphonate (DEMP) and O-Ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX) in samples provided by the Organization for Prohibition of Chemical Weapons Proficiency Test (OPCW-PT) proved the utility of the developed method for the off-site analysis of CWC relevant chemicals. Copyright © 2016 Elsevier B.V. All rights reserved.

Analysis of the flow with phase change and chemical reaction with the particle interaction method. Report under the contract between JNC and Toshiba Corporation

International Nuclear Information System (INIS)

Shirakawa, Noriyuki; Horie, Hideki; Yamamoto, Yuichi

2001-02-01

The numerical thermohydraulic analysis of a LMFR component should involve its whole boundary in order to evaluate the effect of chemical reaction within it. Therefore, it becomes difficult mainly due to computing time to adopt microscopic approach for the chemical reaction directly. Thus, the thermohydraulic code is required to model the chemically reactive fluid dynamics with constitutive correlations. The reaction rate depends on the binary contact areas between components such as continuous liquids, droplets, solid particles, and bubbles. The contact areas change sharply according to the interface state between components. Since no experiments to study the jet flow with sodium-water chemical reaction have been done, the goal of this study is to obtain the knowledge of flow regimes and contact areas by analyzing the fluid dynamics of multi-phase and reactive components mechanistically with the particle interaction method. In this fiscal year, following works were performed: 1) Development and coding of the interfacial area model, 2) Development and coding of the phase change model, 3) Verification of the fundamental functions of the models, and 4) Literature investigation of the related experiments. (author)

The chemical recycle of cotton

Directory of Open Access Journals (Sweden)

Alice Beyer Schuch

2016-08-01

Full Text Available The chemical recycle of cotton textiles and/or other cellulosic materials for the purpose of manufacturing regenerated high quality textiles fibres is a novel process. The objective of related research is based on the forecast of population growth, on resource scarcity predictions, and on the negative environmental impact of the textile industry. These facts lead the need of broadening the scope for long-term textile-to-textile recycle - as the mechanical recycle of natural fibres serve for limited number of cycles, still depends on input of virgin material, and offer a reduced-in-quality output. Critical analysis of scientific papers, relevant related reports, and personal interviews were the base of this study, which shows viable results in laboratorial scale of using low-quality cellulosic materials as input for the development of high-quality regenerated textile fibres though ecological chemical process. Nevertheless, to scale up and implement this innovative recycle method, other peripheral structures are requested, such as recover schemes or appropriate sort, for instance. Further researches should also be considered in regards to colours and impurities.

Risk analysis in the chemical industry; Analisis de riesgos en la industria quimica

Energy Technology Data Exchange (ETDEWEB)

Rea Soto, Rogelio; Sandoval Valenzuela, Salvador [Instituto de Investigaciones Electricas, Temixco, Morelos (Mexico)

2000-07-01

The Instituto de Investigaciones Electricas has a group of risk analysis (GAR), specialized in the most advanced methodologies to apply them in diverse industries of the productive sector, such as the nuclear, the oil and the chemical industries. In this work the integrated methodology that the GAR uses to make risk analysis in the chemical and oil industries is described. These analyses have as an objective to make a meticulous evaluation of the system design, the operation practices, the maintenance and inspection policies and the emergency plans. [Spanish] El Instituto de Investigaciones Electricas cuenta con un grupo de analisis de riesgo (GAR), especializado en las metodologias mas avanzadas para aplicarlas en diversas industrias del sector productivo, como lo son la nuclear, la petrolera y la quimica. En este trabajo se describe la metodologia integrada que el GAR utiliza para realizar analisis de riesgos en las industrias quimica y petrolera. Estos analisis tienen como objetivo realizar una minuciosa evaluacion del diseno del sistema, las practicas de operacion, las politicas de mantenimiento e inspeccion y los planes de emergencia.

Treatment systems for liquid wastes generated in chemical analysis laboratories

International Nuclear Information System (INIS)

Linda Berrio; Oscar Beltran; Edison Agudelo; Santiago Cardona

2012-01-01

Nowadays, handling of liquid wastes from chemical analysis laboratories is posing problems to different public and private organizations because of its requirements of an integrated management. This article reviews various treatment technologies and its removal efficiencies in order to establish criteria for selecting the system and the appropriate variables to achieve research objectives as well as environmental sustainability. Review begins with a description of the problem and continues with the study of treatments for laboratory wastes. These technologies are segregated into physicochemical and biological treatments that comprise a variety of processes, some of which are considered in this review.

Analysis of the chemical equilibrium of combustion at constant volume

Directory of Open Access Journals (Sweden)

Marius BREBENEL

2014-04-01

Full Text Available Determining the composition of a mixture of combustion gases at a given temperature is based on chemical equilibrium, when the equilibrium constants are calculated on the assumption of constant pressure and temperature. In this paper, an analysis of changes occurring when combustion takes place at constant volume is presented, deriving a specific formula of the equilibrium constant. The simple reaction of carbon combustion in pure oxygen in both cases (constant pressure and constant volume is next considered as example of application, observing the changes occurring in the composition of the combustion gases depending on temperature.

Improvement of chemical control in the water-steam cycle of thermal power plants

International Nuclear Information System (INIS)

Rajakovic-Ognjanovic, Vladana N.; Zivojinovic, Dragana Z.; Grgur, Branimir N.; Rajakovic, Ljubinka V.

2011-01-01

A more effective chemical control in the water-steam cycle (WSC) of thermal power plants (TPP) is proposed in this paper. Minimization of corrosion effects by the production of ultra pure water and its strict control is the basis of all the investigated processes. The research involved the analysis of water samples in the WSC through key water quality parameters and by the most convenient analytical tools. The necessity for the stricter chemical control is demonstrated through a concrete example of the TPP Nikola Tesla, Serbia. After a thorough analysis of the chemical control system of the WSC, diagnostic and control parameters were chosen for continuous systematic measurements. Sodium and chloride ions were recognized as the ions which indicate the corrosion potential of the water and give insight into the proper production and maintenance of water within the WSC. Chemical transformations of crucial corrosion elements, iron and silica, were considered and related to their quantitative values. - Research highlights: → The more effective chemical control in the water-steam cycle of thermal power plant Nikola Tesla, Serbia. → In chemical control the diagnostic and control parameters were optimized and introduced for the systematic measurements in the water-steam cycle. → Sodium and chloride ions were recognized as ions which indicate corrosion potential of water and give insight to proper function of production and maintenance of water within water-team cycle. → Chemical transformations of crucial corrosion elements, iron and silica are considered and related with their quantitative values.

Quality in the chemical analysis of biological matrices by fluorescence X-ray by energy dispersive

International Nuclear Information System (INIS)

Sousa, Evely E. de; Paiva, Jose Daniel S. de; Franca, Elvis J. de; Almeida, Macio E.S.; Cantinha, Rebeca S.; Hazin, Clovis A.

2013-01-01

The aim of this study was to obtain multielement analytical curves of high analytical rigor to the analysis of biological matrices by the technique of fluorescence x-ray energy dispersive - EDXRF. Calibration curves were constructed from the reference materials IAEA 140, IAEA 155, IAEA V8, V10 to the International Atomic Energy Agency - IAEA, and SRM1515, SRM 1547, SRM 1570a, SRM 1573a, SEM 1567a, to the National Institute of Standards and Technology - NIST. After energy calibration, all samples were subjected to vacuum to the analyzes by 100 seconds for each group of chemical elements. The voltages used were respectively 15 keV for chemical elements with less than atomic number 22 and 50 keV for the others. After the construction of the curves, the analytical quality was assessed by the analysis of a portion-test of the reference material SRM 2976, also produced by NIST. Based on the number of certified reference materials used for construction of calibration curves in this work, quality analytical protocol was originated with considerable reliability for quantification of chemical elements in biological samples by EDXR