Computer program determines chemical composition of physical system at equilibrium

Science.gov (United States)

Kwong, S. S.

1966-01-01

FORTRAN 4 digital computer program calculates equilibrium composition of complex, multiphase chemical systems. This is a free energy minimization method with solution of the problem reduced to mathematical operations, without concern for the chemistry involved. Also certain thermodynamic properties are determined as byproducts of the main calculations.

6 CFR 27.205 - Determination that a chemical facility “presents a high level of security risk.”

Science.gov (United States)

2010-01-01

... 6 Domestic Security 1 2010-01-01 2010-01-01 false Determination that a chemical facility âpresents... SECURITY, OFFICE OF THE SECRETARY CHEMICAL FACILITY ANTI-TERRORISM STANDARDS Chemical Facility Security Program § 27.205 Determination that a chemical facility “presents a high level of security risk.” (a...

EDXRF for determination of chemical elements in the beetle Alphitobius diaperinus

International Nuclear Information System (INIS)

Cantinha, Rebeca S.; Farias, Emerson E.G. de; Magalhaes, Marcelo L.R. de; Franca, Elvis J. de; Cunha, Franklin M. da; Zacarias, Vyvyane L.

2015-01-01

Energy Dispersion X-Ray Fluorescence (EDXRF) spectrometry has been widely employed for chemical element determination of biological matrices, including insects. The beetle Alphitobius diaperinus is a major problem in poultry production, thereby infesting poultry litter and stored grains. Up to now, little is known about the behavior, physiology and environmental interactions of this insect. In this paper, EDXRF was applied to quantify the main chemical elements in A. diaperinus. For the quality of the analytical protocol, certified reference materials produced by National Institute of Standards and Technology - NIST were analyzed together with the samples. The technique was able to quantify Cl, P, S and Zn in this insect, presenting no significant variation at the 95% confidence level among the repetitions (n = 4). A different pattern of chemical element accumulation in this beetle was noticed compared to other Coleoptera species, in which the concentration of the chemical elements were markedly lower in A. diaperinus, probably associated to the restricted availability of chemical elements in food. Since no result has been found in the literature before, A. diaperinus was firstly chemically characterized in this paper. (author)

EDXRF for determination of chemical elements in the beetle Alphitobius diaperinus

Energy Technology Data Exchange (ETDEWEB)

Cantinha, Rebeca S.; Farias, Emerson E.G. de; Magalhaes, Marcelo L.R. de; Franca, Elvis J. de, E-mail: rebecanuclear@gmail.com, E-mail: emersonemiliano@yahoo.com.br, E-mail: marcelo_rlm@hotmail.com, E-mail: ejfranca@cnen.gov.br [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil); Cunha, Franklin M. da; Zacarias, Vyvyane L., E-mail: ukento@yahoo.com.br, E-mail: vyvyanebiologicas@gmail.com [Universidade Federal Rural de Pernambuco (UFRPE), Recife, PE (Brazil)

2015-07-01

Energy Dispersion X-Ray Fluorescence (EDXRF) spectrometry has been widely employed for chemical element determination of biological matrices, including insects. The beetle Alphitobius diaperinus is a major problem in poultry production, thereby infesting poultry litter and stored grains. Up to now, little is known about the behavior, physiology and environmental interactions of this insect. In this paper, EDXRF was applied to quantify the main chemical elements in A. diaperinus. For the quality of the analytical protocol, certified reference materials produced by National Institute of Standards and Technology - NIST were analyzed together with the samples. The technique was able to quantify Cl, P, S and Zn in this insect, presenting no significant variation at the 95% confidence level among the repetitions (n = 4). A different pattern of chemical element accumulation in this beetle was noticed compared to other Coleoptera species, in which the concentration of the chemical elements were markedly lower in A. diaperinus, probably associated to the restricted availability of chemical elements in food. Since no result has been found in the literature before, A. diaperinus was firstly chemically characterized in this paper. (author)

Analysis of determination modalities concerning the exposure and emission limits values of chemical and radioactive substances

International Nuclear Information System (INIS)

Schieber, C.; Schneider, T.

2002-08-01

This document presents the generic approach adopted by various organizations for the determination of the public exposure limits values to chemical and radioactive substances and for the determination of limits values of chemical products emissions by some installations. (A.L.B.)

EDXRF applied to the chemical element determination of small invertebrate samples

International Nuclear Information System (INIS)

Magalhaes, Marcelo L.R.; Santos, Mariana L.O.; Cantinha, Rebeca S.; Souza, Thomas Marques de; Franca, Elvis J. de

2015-01-01

Energy Dispersion X-Ray Fluorescence - EDXRF is a fast analytical technique of easy operation, however demanding reliable analytical curves due to the intrinsic matrix dependence and interference during the analysis. By using biological materials of diverse matrices, multielemental analytical protocols can be implemented and a group of chemical elements could be determined in diverse biological matrices depending on the chemical element concentration. Particularly for invertebrates, EDXRF presents some advantages associated to the possibility of the analysis of small size samples, in which a collimator can be used that directing the incidence of X-rays to a small surface of the analyzed samples. In this work, EDXRF was applied to determine Cl, Fe, P, S and Zn in invertebrate samples using the collimator of 3 mm and 10 mm. For the assessment of the analytical protocol, the SRM 2976 Trace Elements in Mollusk produced and SRM 8415 Whole Egg Powder by the National Institute of Standards and Technology - NIST were also analyzed. After sampling by using pitfall traps, invertebrate were lyophilized, milled and transferred to polyethylene vials covered by XRF polyethylene. Analyses were performed at atmosphere lower than 30 Pa, varying voltage and electric current according to the chemical element to be analyzed. For comparison, Zn in the invertebrate material was also quantified by graphite furnace atomic absorption spectrometry after acid treatment (mixture of nitric acid and hydrogen peroxide) of samples have. Compared to the collimator of 10 mm, the SRM 2976 and SRM 8415 results obtained by the 3 mm collimator agreed well at the 95% confidence level since the E n Number were in the range of -1 and 1. Results from GFAAS were in accordance to the EDXRF values for composite samples. Therefore, determination of some chemical elements by EDXRF can be recommended for very small invertebrate samples (lower than 100 mg) with advantage of preserving the samples. (author)

Determination of Gibbs energies of formation in aqueous solution using chemical engineering tools.

Science.gov (United States)

Toure, Oumar; Dussap, Claude-Gilles

2016-08-01

Standard Gibbs energies of formation are of primary importance in the field of biothermodynamics. In the absence of any directly measured values, thermodynamic calculations are required to determine the missing data. For several biochemical species, this study shows that the knowledge of the standard Gibbs energy of formation of the pure compounds (in the gaseous, solid or liquid states) enables to determine the corresponding standard Gibbs energies of formation in aqueous solutions. To do so, using chemical engineering tools (thermodynamic tables and a model enabling to predict activity coefficients, solvation Gibbs energies and pKa data), it becomes possible to determine the partial chemical potential of neutral and charged components in real metabolic conditions, even in concentrated mixtures. Copyright © 2016 Elsevier Ltd. All rights reserved.

Determination of chemical oxygen demand (COD) using an alternative wet chemical method free of mercury and dichromate.

Science.gov (United States)

Kolb, Marit; Bahadir, Müfit; Teichgräber, Burkhard

2017-10-01

Worldwide, the standard methods for the determination of the important wastewater parameter chemical oxygen demand (COD) are still based on the use of the hazardous chemicals, mercury sulfate and chromium(VI). However, due to their properties they are meanwhile classified as "priority pollutants" and shall be phased out or banned in the frame of REACH (current European Chemical Law: Registration, Evaluation, Authorization and restriction of Chemicals) by the European Union. Hence, a new wet-chemical method free of mercury and chromium(VI) was developed. Manganese(III) was used as oxidant and silver nitrate for the removal of chloride ions. The quantification was performed by back titration of manganese(III) with iron(II) as done in the standard method. In order to minimize losses of organic substances during the precipitation of silver chloride, suspended and colloid organic matter had to be separated by precipitation of aluminum hydroxide in a first step. In these cases, two fractions, one of the suspended and colloid matters and a second of the dissolved organic substances, are prepared and oxidized separately. The method was tested with potassium hydrogen phthalate (KHP) as conventional COD reference substance and different types of wastewater samples. The oxidation of KHP was reproducible in a COD range of 20-500 mg/L with a mean recovery rate of 88.7% in comparison to the standard COD method (DIN 38409-41). Also in presence of 1000 mg/L chloride a recovery rate of 84.1% was reached. For a series of industrial and municipal wastewater samples a high correlation (R 2  = 0.9935) to the standard method with a mean recovery rate of 78.1% (±5.2%) was determined. Even though the results of the new method are not 100% of the standard method, its high correlation to the standard method and reproducibility offers an environmentally benign alternative method with no need to purchase new laboratory equipment. Copyright © 2017 Elsevier Ltd. All rights reserved.

MULTICOMPONENT DETERMINATION OF CHLORINATED HYDROCARBONS USING A REACTION-BASED CHEMICAL SENSOR .2. CHEMICAL SPECIATION USING MULTIVARIATE CURVE RESOLUTION

NARCIS (Netherlands)

Tauler, R.; Smilde, A. K.; HENSHAW, J. M.; BURGESS, L. W.; KOWALSKI, B. R.

1994-01-01

A new multivariate curve resolution method that can extract analytical information from UV/visible spectroscopic data collected from a reaction-based chemical sensor is proposed. The method is demonstrated with the determination of mixtures of chlorinated hydrocarbons by estimating the kinetic and

Detailed balance method for chemical potential determination in Monte Carlo and molecular dynamics simulations

International Nuclear Information System (INIS)

Fay, P.J.; Ray, J.R.; Wolf, R.J.

1994-01-01

We present a new, nondestructive, method for determining chemical potentials in Monte Carlo and molecular dynamics simulations. The method estimates a value for the chemical potential such that one has a balance between fictitious successful creation and destruction trials in which the Monte Carlo method is used to determine success or failure of the creation/destruction attempts; we thus call the method a detailed balance method. The method allows one to obtain estimates of the chemical potential for a given species in any closed ensemble simulation; the closed ensemble is paired with a ''natural'' open ensemble for the purpose of obtaining creation and destruction probabilities. We present results for the Lennard-Jones system and also for an embedded atom model of liquid palladium, and compare to previous results in the literature for these two systems. We are able to obtain an accurate estimate of the chemical potential for the Lennard-Jones system at higher densities than reported in the literature

EDXRF applied to the chemical element determination of small invertebrate samples

Energy Technology Data Exchange (ETDEWEB)

Magalhaes, Marcelo L.R.; Santos, Mariana L.O.; Cantinha, Rebeca S.; Souza, Thomas Marques de; Franca, Elvis J. de, E-mail: marcelo_rlm@hotmail.com, E-mail: marianasantos_ufpe@hotmail.com, E-mail: rebecanuclear@gmail.com, E-mail: thomasmarques@live.com.pt, E-mail: ejfranca@cnen.gov.br [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil)

2015-07-01

Energy Dispersion X-Ray Fluorescence - EDXRF is a fast analytical technique of easy operation, however demanding reliable analytical curves due to the intrinsic matrix dependence and interference during the analysis. By using biological materials of diverse matrices, multielemental analytical protocols can be implemented and a group of chemical elements could be determined in diverse biological matrices depending on the chemical element concentration. Particularly for invertebrates, EDXRF presents some advantages associated to the possibility of the analysis of small size samples, in which a collimator can be used that directing the incidence of X-rays to a small surface of the analyzed samples. In this work, EDXRF was applied to determine Cl, Fe, P, S and Zn in invertebrate samples using the collimator of 3 mm and 10 mm. For the assessment of the analytical protocol, the SRM 2976 Trace Elements in Mollusk produced and SRM 8415 Whole Egg Powder by the National Institute of Standards and Technology - NIST were also analyzed. After sampling by using pitfall traps, invertebrate were lyophilized, milled and transferred to polyethylene vials covered by XRF polyethylene. Analyses were performed at atmosphere lower than 30 Pa, varying voltage and electric current according to the chemical element to be analyzed. For comparison, Zn in the invertebrate material was also quantified by graphite furnace atomic absorption spectrometry after acid treatment (mixture of nitric acid and hydrogen peroxide) of samples have. Compared to the collimator of 10 mm, the SRM 2976 and SRM 8415 results obtained by the 3 mm collimator agreed well at the 95% confidence level since the E{sub n} Number were in the range of -1 and 1. Results from GFAAS were in accordance to the EDXRF values for composite samples. Therefore, determination of some chemical elements by EDXRF can be recommended for very small invertebrate samples (lower than 100 mg) with advantage of preserving the samples. (author)

Use of the nonsteady monotonic heating method for complex determination of thermophysical properties of chemically reacting mixture in the case of non-equilibrium proceeding of the chemical reaction

International Nuclear Information System (INIS)

Serebryanyj, G.Z.

1984-01-01

Theoretical analysis is made for the monotonic heating method as applied for complex determination of thermophysical properties of chemically reacting gases. The possibility is shown of simultaneous determination of frozen and equilibrium heat capacity, frozen and equilibrium heat conduction provided non-equilibrium occuring of the reaction in the wide range of temperatures and pressures. The monotonic heating method can be used for complex determination of thermophysical properties of chemically reacting systems in case of non-equilibrium proceeding of the chemical reaction

Determination of chemical states of sulphur 35 obtained from the 35Cl (n, p)35S

International Nuclear Information System (INIS)

Rossi Filho, S.

1980-01-01

The chemical states of sulphur-35 obtained from the 35 Cl(n,p) 35 S reaction by the irradiation of potassium chloride without any previous treatment and with previous heating under vacuum, were determined. The influence of irradiation time and temperature after irradiation was examined. Paper electrophoresis technique was employed for the determination of the chemical states. (Author) [pt

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)

k{sub 0}-INAA for determining chemical elements in bird feathers

Energy Technology Data Exchange (ETDEWEB)

Franca, Elvis J., E-mail: ejfranca@usp.b [CENA/USP, Centro de Energia Nuclear na Agricultura, Universidade of Sao Paulo, P.O. Box 97, 13400-970, Piracicaba, SP (Brazil); Fernandes, Elisabete A.N.; Fonseca, Felipe Y. [CENA/USP, Centro de Energia Nuclear na Agricultura, Universidade of Sao Paulo, P.O. Box 97, 13400-970, Piracicaba, SP (Brazil); Antunes, Alexsander Z. [IF, Instituto Florestal do Estado de Sao Paulo, Rua do Horto 931, Horto Florestal 02377-000, Sao Paulo, SP (Brazil); Bardini Junior, Claudiney; Bacchi, Marcio A.; Rodrigues, Vanessa S.; Cavalca, Isabel P.O. [CENA/USP, Centro de Energia Nuclear na Agricultura, Universidade of Sao Paulo, P.O. Box 97, 13400-970, Piracicaba, SP (Brazil)

2010-10-11

The k{sub 0}-method instrumental neutron activation analysis (k{sub 0}-INAA) was employed for determining chemical elements in bird feathers. A collection was obtained taking into account several bird species from wet ecosystems in diverse regions of Brazil. For comparison reason, feathers were actively sampled in a riparian forest from the Marins Stream, Piracicaba, Sao Paulo State, using mist nets specific for capturing birds. Biological certified reference materials were used for assessing the quality of analytical procedure. Quantification of chemical elements was performed using the k{sub 0}-INAA Quantu Software. Sixteen chemical elements, including macro and micronutrients, and trace elements, have been quantified in feathers, in which analytical uncertainties varied from 2% to 40% depending on the chemical element mass fraction. Results indicated high mass fractions of Br (max=7.9 mg kg{sup -1}), Co (max=0.47 mg kg{sup -1}), Cr (max=68 mg kg{sup -1}), Hg (max=2.79 mg kg{sup -1}), Sb (max=0.20 mg kg{sup -1}), Se (max=1.3 mg kg{sup -1}) and Zn (max=192 mg kg{sup -1}) in bird feathers, probably associated with the degree of pollution of the areas evaluated. In order to corroborate the use of k{sub 0}-INAA results in biomonitoring studies using avian community, different factor analysis methods were used to check chemical element source apportionment and locality clustering based on feather chemical composition.

Using chemical benchmarking to determine the persistence of chemicals in a Swedish lake.

Science.gov (United States)

Zou, Hongyan; Radke, Michael; Kierkegaard, Amelie; MacLeod, Matthew; McLachlan, Michael S

2015-02-03

It is challenging to measure the persistence of chemicals under field conditions. In this work, two approaches for measuring persistence in the field were compared: the chemical mass balance approach, and a novel chemical benchmarking approach. Ten pharmaceuticals, an X-ray contrast agent, and an artificial sweetener were studied in a Swedish lake. Acesulfame K was selected as a benchmark to quantify persistence using the chemical benchmarking approach. The 95% confidence intervals of the half-life for transformation in the lake system ranged from 780-5700 days for carbamazepine to benchmarking approach agreed well with those from the mass balance approach (1-21% difference), indicating that chemical benchmarking can be a valid and useful method to measure the persistence of chemicals under field conditions. Compared to the mass balance approach, the benchmarking approach partially or completely eliminates the need to quantify mass flow of chemicals, so it is particularly advantageous when the quantification of mass flow of chemicals is difficult. Furthermore, the benchmarking approach allows for ready comparison and ranking of the persistence of different chemicals.

40 CFR 350.18 - Release of chemical identity determined to be non-trade secret; notice of intent to release...

Science.gov (United States)

2010-07-01

... determined to be non-trade secret; notice of intent to release chemical identity. 350.18 Section 350.18... INFORMATION: AND TRADE SECRET DISCLOSURES TO HEALTH PROFESSIONALS Trade Secrecy Claims § 350.18 Release of chemical identity determined to be non-trade secret; notice of intent to release chemical identity. (a...

Accuracy and precision of protein–ligand interaction kinetics determined from chemical shift titrations

International Nuclear Information System (INIS)

Markin, Craig J.; Spyracopoulos, Leo

2012-01-01

NMR-monitored chemical shift titrations for the study of weak protein–ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K D ) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K D value of a 1:1 protein–ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125–138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of 1 H– 15 N 2D HSQC NMR spectra acquired using precise protein–ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k off ). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k off ∼ 3,000 s −1 in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k off from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k off values over a wide range, from 100 to 15,000 s −1 . The validity of line shape analysis for k off values approaching intermediate exchange (∼100 s −1 ), may be facilitated by more accurate K D measurements from NMR

Accuracy and precision of protein-ligand interaction kinetics determined from chemical shift titrations.

Science.gov (United States)

Markin, Craig J; Spyracopoulos, Leo

2012-12-01

NMR-monitored chemical shift titrations for the study of weak protein-ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K ( D )) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K ( D ) value of a 1:1 protein-ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125-138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of (1)H-(15)N 2D HSQC NMR spectra acquired using precise protein-ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k ( off )). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k ( off ) ~ 3,000 s(-1) in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k ( off ) from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k ( off ) values over a wide range, from 100 to 15,000 s(-1). The validity of line shape analysis for k ( off ) values approaching intermediate exchange (~100 s(-1)), may be facilitated by more accurate K ( D ) measurements

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.

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.)

Determination of chemical composition, total phenolic content and antioxidant activity of xylanthemum macropodum

International Nuclear Information System (INIS)

Samiullah, A.; Tareen, R.B.; Khan, N.; Akber, A.; Ali, I.; Khan, A.K.

2017-01-01

Evaluation of the phytochemistry, total phenolic content and antioxidant activity of the endemic plant of northern Balochistan Xylanthemum Macropodum of the Asteraceae family, is reported for the first time in this document. Chemical composition of Xylanthemum Macropodum was determined using well-established chemical tests and modern spectroscopic techniques. Extracts were taken from the whole plant using methanol and the extracts were tested for phytochemicals (secondary metabolites), total phenolic content (TPC) and antioxidant activity. The phytochemical (biochemical) examination of Xylanthemum Macropodum exposed the presence of alkaloids, phenols, steroids, flavonoids, tannins, terpenoids, saponins, coumarins, carbohydrates, cardiac glycosides, reducing sugars, and quinines. TPC of crude methanolic extract (CME) of plant was determined using Folin-Ciocalteu's reagent. The TPC determined was 256mg of tannic acid Eq/g of extract. Antioxidant activities were determined spectrophotometrically using the DPPH assay and Ferric ion (Fe/sup +3/) reducing antioxidant power assay. The potency of the DPPH assay of Xylanthemum Macropodum extract was 68% for the 0.10 mg/ml concentration and the FRAP value of the extract was 3.368 mmol Fe/sup +2//g of extract. Xylanthemum Macropodum has proved to be very rich in secondary metabolites, natural phenolics and has a very potent antioxidant activity. (author)

Determination of alpha-naphthol by an oscillating chemical reaction using the analyte pulse perturbation technique

International Nuclear Information System (INIS)

Yang Wu; Sun Kanjun; Lv Weilian; Bo Lili; He Xiaoyan; Suo Nan; Gao Jinzhang

2005-01-01

An analytical method for the determination of alpha-naphthol (α-NP) is proposed by the sequential perturbation caused by different amounts of alpha-naphthol on the oscillating chemical system involving the Cu(II)-catalyzed oscillating reaction between hydrogen peroxide and sodium thiocyanate in an alkaline medium with the aid of continuous-flow stirred tank reactor (CSTR). The method relies on the linear relationship between the changes in the oscillation amplitude of the chemical system and the concentration of alpha-naphthol. The use of the analyte pulse perturbation technique permits sequential determinations in the same oscillating system owing to the expeditiousness with which the steady state is regained after each perturbation. The calibration curve obeys a linear equation very well when the concentration of alpha-naphthol is over the range 0.034-530 umol/L (r = 0.9991). Influences of temperature, injection points, flow rate and reaction variables on the oscillating system are investigated in detail and the possible mechanism of action of alpha-naphthol to the chemical oscillating system is also discussed. The method has been successfully used for the determination of α-naphthol in carbaryl hydrolysates

Accuracy and precision of protein-ligand interaction kinetics determined from chemical shift titrations

Energy Technology Data Exchange (ETDEWEB)

Markin, Craig J.; Spyracopoulos, Leo, E-mail: leo.spyracopoulos@ualberta.ca [University of Alberta, Department of Biochemistry (Canada)

2012-12-15

NMR-monitored chemical shift titrations for the study of weak protein-ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K{sub D}) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K{sub D} value of a 1:1 protein-ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125-138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of {sup 1}H-{sup 15}N 2D HSQC NMR spectra acquired using precise protein-ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k{sub off}). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k{sub off} {approx} 3,000 s{sup -1} in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k{sub off} from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k{sub off} values over a wide range, from 100 to 15,000 s{sup -1}. The validity of line shape analysis for k{sub off} values approaching intermediate exchange ({approx}100 s{sup -1}), may be facilitated by

Determination of uranium and thorium during chemical treatment of monazite

International Nuclear Information System (INIS)

El-Nadi, Y.A.; Daoud, J.A.; Aly, H.F.; Kregsamer, P.

2000-01-01

Total reflection x-ray fluorescence (TXRF) is a very useful technique for both qualitative and quantitative analysis because of its high detection power and its needed to small sample volumes (less than 100 μl are sufficient). In this work TXRF was used to determine the initial concentrations of the elements included in monazite sand and following up the chemical steps for treatment of monazite with special attention to uranium and thorium concentration as well as lanthanides. The results were compared to those obtained from EDXRF and ICP-MS techniques. (author)

Determination of densities from chemical composition and X-Ray diffraction

International Nuclear Information System (INIS)

Azevedo, A.L.T. de

1980-01-01

X-ray diffraction method applied to retained austenite measurements gives volume per cent results, whereas the same kind of measurement made by Moessbauer Effect gives iron percentages. To compare both results one needs to convert the volume % to weight % or vice-versa. This necessitates, among other things, in determining the densities of the α and #betta# phases in the steel being studied. A method for calculating the densities, based on the application of the definition of density to just one unit cell, using X-ray diffraction and chemical results, are described. (Author) [pt

Radioimmunoassay and chemical ionization/mass spectrometry compared for plasma cortisol determination

International Nuclear Information System (INIS)

Lindberg, C.; Johnson, S.; Hedner, P.; Gustafsson, A.

1982-01-01

A method is described for determination of cortisol in plasma and urine, based on chemical ionization/mass spectrometry with deuterium-labeled cortisol as the internal standard. The within-run precision (CV) was 2.5-5.7%, the between-run precision 4.6%. Results by this method were compared with those by a radioimmunological method (RIANEN Cortisol, New England Nuclear) for 395 plasma samples. The latter method gave significantly higher (approx. 25%) cortisol values

Chemical determination of free radical-induced damage to DNA.

Science.gov (United States)

Dizdaroglu, M

1991-01-01

Free radical-induced damage to DNA in vivo can result in deleterious biological consequences such as the initiation and promotion of cancer. Chemical characterization and quantitation of such DNA damage is essential for an understanding of its biological consequences and cellular repair. Methodologies incorporating the technique of gas chromatography/mass spectrometry (GC/MS) have been developed in recent years for measurement of free radical-induced DNA damage. The use of GC/MS with selected-ion monitoring (SIM) facilitates unequivocal identification and quantitation of a large number of products of all four DNA bases produced in DNA by reactions with hydroxyl radical, hydrated electron, and H atom. Hydroxyl radical-induced DNA-protein cross-links in mammalian chromatin, and products of the sugar moiety in DNA are also unequivocally identified and quantitated. The sensitivity and selectivity of the GC/MS-SIM technique enables the measurement of DNA base products even in isolated mammalian chromatin without the necessity of first isolating DNA, and despite the presence of histones. Recent results reviewed in this article demonstrate the usefulness of the GC/MS technique for chemical determination of free radical-induced DNA damage in DNA as well as in mammalian chromatin under a vast variety of conditions of free radical production.

Analytical applications of oscillatory chemical reactions: determination of some pharmaceuticaly and biologically important compounds

Directory of Open Access Journals (Sweden)

Pejić Nataša D.

2012-01-01

Full Text Available Novel analytical methods for quantitive determination of analytes based on perturbations of oscillatory chemical reactions realized under open reactor conditions (continuosly fed well stirred tank reactor, CSTR, have been developed in the past twenty years. The proposed kinetic methods are generally based on the ability of the analyzed substances to change the kinetics of the chemical reactions matrix. The unambiguous correlation of quantitative characteristics of perturbations, and the amount (concentration of analyte expressed as a regression equation, or its graphics (calibration curve, enable the determination of the unknown analyte concentration. Attention is given to the development of these methods because of their simple experimental procedures, broad range of linear regression ( 10-7 10-4 mol L-1 and low limits of detection of analytes ( 10-6 10-8 mol L1, in some cases even lower than 10-12 mol L-1. Therefore, their application is very convenient for routine analysis of various inorganic and organic compounds as well as gases. This review summarizes progress made in the past 5 years on quantitative determination of pharmaceutically and biologically important compounds.

EDF's approach to determine specifications for nuclear power plant bulk chemicals

International Nuclear Information System (INIS)

Basile, Alix; Dijoux, Michel; Le-Calvar, Marc; Gressier, Frederic; Mole, Didier

2012-09-01

Chemical impurities in the primary, secondary and auxiliary nuclear power plants circuits generate risks of corrosion of the fuel cladding, steel and nickel based alloys. The PMUC (Products and Materials Used in plants) organization established by EDF intends to limit this risk by specifying maximum levels of impurities in products and materials used for the operation and maintenance of Nuclear Power Plants (NPPs). Bulk chemicals specifications, applied on primary and secondary circuit chemicals and hydrogen and nitrogen gases, are particularly important to prevent chemical species to be involved in the corrosion of the NPPs materials. The application of EDF specifications should lead to reasonably exclude any risk of degradation of the first and second containment barriers and auxiliary circuits Important to Safety (IPS) by limiting the concentrations of chlorides, fluorides, sulfates... The risk of metal embrittlement by elements with low melting point (mercury, lead...) is also included. For the primary circuit, the specifications intend to exclude the risk of activation of impurities introduced by the bulk chemicals. For the first containment barrier, to reduce the risk of deposits like zeolites, PMUC products specifications set limit values for calcium, magnesium, aluminum and silica. EDF's approach for establishing specifications for bulk chemicals is taking also into account the capacity of industrial production, as well as costs, limitations of analytical control methods (detection limits) and environmental releases issues. This paper aims to explain EDF's approach relative to specifications of impurities in bulk chemicals. Also presented are the various parameters taken into account to determine the maximum pollution levels in the chemicals, the theoretical hypothesis to set the specifications and the calculation method used to verify that the specifications are suitable. (authors)

Determination of Chemical States of Mercury on Activated Carbon Using XANES

International Nuclear Information System (INIS)

Takaoka, Masaki; Takeda, Nobuo; Oshita, Kazuyuki; Yamamoto, Takashi; Tanaka, Tsunehiro; Uruga, Tomoya

2007-01-01

Although the adsorption of mercury vapor onto activated carbon is a widely used technology to prevent environmental release, the adsorption mechanism is not clearly understood. In this study, we determined the chemical states of mercury on two kinds of activated carbon using X-ray absorption near-edge spectroscopy (XANES) to elucidate the adsorption mechanism. The adsorption experiments of elemental mercury onto activated carbon were conducted under air and nitrogen atmospheres at temperatures of 20 and 160 deg. C. Two types of activated carbon were prepared. X-ray absorption fine structure (XAFS) measurements were carried out on beamline BL01B1 at SPring-8. Hg-LIII edge XANES spectra suggested that chemical adsorption of elemental mercury on the activated carbon occurred in the 20-160 deg. C temperature range. According to the XANES spectra, a difference occurred in the chemical states of mercury between AC no. 1 and AC no. 2. The Hg XANES spectra on AC no. 1 were similar to those of Hg2Cl2 and HgS, and the Hg XANES spectra on AC no. 2 were similar to that of HgO, which suggested that nitric acid treatment removed sulfur from AC no. 1 and functional groups that were strong oxidizers on the surface of AC no. 2 created HgO. According to the EXAFS oscillation, a difference occurred in the chemical states of mercury on AC no. 1 between 20 and 160 deg. C. We found that impurities and oxidant functional groups on activated carbon play key roles in mercury adsorption

Determination of solute organic concentration in contaminated soils using a chemical-equilibrium soil column system

DEFF Research Database (Denmark)

Gamst, Jesper; Kjeldsen, Peter; Christensen, Thomas Højlund

2007-01-01

using two soils with different content of organic carbon (f(oc) of 1.5 and 6.5%, respectively). A quadruple blind test of the ER-V system using glass beads in stead of soil showed an acceptable recovery (65-85%) of all of the 11 VOCs tested. Only for the most volatile compound (heptane, K-H similar...... to 80) an unacceptable recovery was found (9%). The contact time needed for obtaining chemical equilibrium was tested in the ER-H system by performing five test with different duration (1, 2, 4, 7 and 19 days) using the low organic carbon soil. Seven days of contact time appeared sufficient...... for determination of solute concentration in a contaminated soil were developed; (1) a chemical Equilibrium and Recirculation column test for Volatile organic chemicals (ER-V) and (2) a chemical Equilibrium and Recirculation column test for Hydrophobic organic chemicals (ER-H). The two test systems were evaluated...

Chemical separation and ICP-AES determination of rare earths in Al2O3 matrix

International Nuclear Information System (INIS)

Argekar, A.A.; Kulkarni, M.J.; Page, A.G.; Manchanda, V.K.

2005-01-01

A chemical separation-ICP-AES method has been developed for determination of rare earths in alumina matrix. The quantitative separation of rare earths has also been confirmed using radiotracers. (author)

Resolving uncertainty in chemical speciation determinations

Science.gov (United States)

Smith, D. Scott; Adams, Nicholas W. H.; Kramer, James R.

1999-10-01

Speciation determinations involve uncertainty in system definition and experimentation. Identification of appropriate metals and ligands from basic chemical principles, analytical window considerations, types of species and checking for consistency in equilibrium calculations are considered in system definition uncertainty. A systematic approach to system definition limits uncertainty in speciation investigations. Experimental uncertainty is discussed with an example of proton interactions with Suwannee River fulvic acid (SRFA). A Monte Carlo approach was used to estimate uncertainty in experimental data, resulting from the propagation of uncertainties in electrode calibration parameters and experimental data points. Monte Carlo simulations revealed large uncertainties present at high (>9-10) and low (monoprotic ligands. Least-squares fit the data with 21 sites, whereas linear programming fit the data equally well with 9 sites. Multiresponse fitting, involving simultaneous fluorescence and pH measurements, improved model discrimination. Deconvolution of the excitation versus emission fluorescence surface for SRFA establishes a minimum of five sites. Diprotic sites are also required for the five fluorescent sites, and one non-fluorescent monoprotic site was added to accommodate the pH data. Consistent with greater complexity, the multiresponse method had broader confidence limits than the uniresponse methods, but corresponded better with the accepted total carboxylic content for SRFA. Overall there was a 40% standard deviation in total carboxylic content for the multiresponse fitting, versus 10% and 1% for least-squares and linear programming, respectively.

Radiometric sampling of bucked copper-nickel ores for determining chemical composition

International Nuclear Information System (INIS)

Komlev, V.N.; Eliseev, G.I.

1978-01-01

Presented are the results and the technique of experimental-methodical works on radiometric sampling of bucked copper-nickel ores for determining chemical composition with their selection and analysis by the neutron-gamma method and by the gamma-gamma method. The error is estimated according to the chosen conditions of sampling. It is found that the gamma-gamma method being more rapid but less accurate is applied for rapid control of ore current, whereas the neutron-gamma method is applied for quality control of ores extracted

X-ray spectral determination of chemical state of phosphorus and sulfur in anodic oxide films on niobium

International Nuclear Information System (INIS)

Bokij, L.P.; Kostikov, Yu.P.

1989-01-01

Chemical forms of phosphorus and sulfur in niobium oxide anodic film, obtained by electrochemical technique using niobium in H 2 SO 4 and H 3 PO 4 aqueous solutions, are determined using data on chemical shifts of X-ray emission lines. Films represent Nb 2 O 5(1-γ) (SO 4 ) 5γ and Nb 2 O 5(1-γ) (PO 4 ) 10γ/3 (γ -share of oxygen substituted by acid anion) composition oxosalts. Electrolyte role in formation of niobium anodic oxide structure and effect of phosphorus and sulfur compounds on anodic film conductivity are determined

Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy

International Nuclear Information System (INIS)

Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy

2015-01-01

Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110–120 kHz), 1 H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong 1 H– 1 H homonuclear dipolar couplings and narrow 1 H chemical shift (CS) ranges, which render it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) 1 H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about 1 H– 1 H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful atomistic-level structural and dynamical

An efficient iterative grand canonical Monte Carlo algorithm to determine individual ionic chemical potentials in electrolytes.

Science.gov (United States)

Malasics, Attila; Boda, Dezso

2010-06-28

Two iterative procedures have been proposed recently to calculate the chemical potentials corresponding to prescribed concentrations from grand canonical Monte Carlo (GCMC) simulations. Both are based on repeated GCMC simulations with updated excess chemical potentials until the desired concentrations are established. In this paper, we propose combining our robust and fast converging iteration algorithm [Malasics, Gillespie, and Boda, J. Chem. Phys. 128, 124102 (2008)] with the suggestion of Lamperski [Mol. Simul. 33, 1193 (2007)] to average the chemical potentials in the iterations (instead of just using the chemical potentials obtained in the last iteration). We apply the unified method for various electrolyte solutions and show that our algorithm is more efficient if we use the averaging procedure. We discuss the convergence problems arising from violation of charge neutrality when inserting/deleting individual ions instead of neutral groups of ions (salts). We suggest a correction term to the iteration procedure that makes the algorithm efficient to determine the chemical potentials of individual ions too.

Determination of chemical form of iodine with IC-ICP-MS system and its application to the environmental samples

International Nuclear Information System (INIS)

Yoshida, S.; Katou, S.; Sekimoto, H.; Muramatsu, Y.

2005-01-01

Iodine-129 is one of the important radionuclides possibly released into the environment from nuclear weapons testing and from the nuclear facilities such as nuclear fuel reprocessing plants. Because of its long half-life (1.57 x 10 7 y), knowing its long-term behavior in the environment is a major concern. As I-129 is expected to act together with stable iodine (I-127) in the environment after long time, the biogeochemical cycling of stable iodine in the environment can be used for the reliable safety assessment of I-129. Chemical form is the one of the important factors controlling the 'iodine behavior in the environment. Iodide (I - ) and iodate (IO 3 - ) are known to be the major chemical form in the aqueous solution. However, the information on the chemical form of iodine in the environmental sample is limited because of lack of reliable analytical technique for trace level of iodine in the environment. In this study, the analytical system by using ion chromatograph (IC) followed by inductively coupled plasma mass spectrometry (ICP-MS) was developed for the separate determination of I - and IO 3 - in the aqueous solution. The IC with anion exchange column (EXCELPAK ICS-A23) was used for the separation of I - and IO 3 - with 30 mM (NH 4 ) 2 CO 3 as eluent. Separated iodine was determined with ICP-MS on line. with the detection limit 0.1 - 1 μg/L. The total iodine concentration was also measured by the direct determination with ICP-MS. The iodine in the several environmental samples such as irrigation water in paddy field was successfully determined with information of chemical form. In incubation experiment with flooded soil, the change of the chemical form of iodine in the soil solution with change of Eh was observed. Detailed data will be discussed in the presentation.

Determination of the concentration profile of chemical elements in superheater pipes

International Nuclear Information System (INIS)

Aldape U, F.; Aspiazu F, J.

1986-05-01

This work has for object to determine the profile of concentration of chemical elements at trace level in a superheater pipe of Thermoelectric Plants using the X-ray emission spectroscopy technique induced by protons coming from the Accelerator of the Nuclear Center. In the X-ray detection, a Si Li detector was used. The technique was chosen because it allows a multielemental analysis, of high sensitivity and precision. The results can help to understand the problems that are had in the change of flexibility or of corrosion. This will be from utility to the Federal Electricity Commission (CFE). (Author)

Determination of mercury in ppb level by activation analysis and chemical separation

International Nuclear Information System (INIS)

Requejo, C.S.

1983-02-01

A method for determining mercury in steel samples was developed. Activation analysis using thermal neutrons, followed by radiochemical separations to eliminate 75 Se interferences, were applied. Sixty hours after the end of the irradiation, the samples were processed and distillation of mercury and selenium bromides were carried out. Selenium was separated as an element and mercury sulfide was precipitaded. The chemical separation procedure was tested by using a tracer technique; the recovery yield was 99,2% + - 2,7%. (C.L.B.) [pt

Determination of electroless deposition by chemical nickeling

Directory of Open Access Journals (Sweden)

M. Badida

2013-07-01

Full Text Available Increasing of technical level and reliability of machine products in compliance with the economical and ecological terms belongs to the main trends of the industrial development. During the utilisation of these products there arise their each other contacts and the interaction with the environment. That is the reason for their surface degradation by wear effect, corrosion and other influences. The chemical nickel-plating allows autocatalytic deposition of nickel from water solutions in the form of coherent, technically very profitable coating without usage of external source of electric current. The research was aimed at evaluating the surface changes after chemical nickel-plating at various changes of technological parameters.

A colourimetric method for the determination of the degree of chemical cross-linking in aspartic acid-based polymer gels

Directory of Open Access Journals (Sweden)

B. Gyarmati

2015-02-01

Full Text Available A 2,4,6-trinitrobenzenesulphonic acid (TNBS-based assay is developed to determine the degree of chemical cross-linking in aspartic acid-based polymer gels. The conventional colourimetric method for the quantitative determination of amine groups is difficult to use in polymer networks; thus, an improved method is developed to analyse polymer gels swollen in dimethyl sulfoxide (DMSO. Reaction products of the derivatizing reaction are examined by NMR. The chemical stability of the reagent is increased in DMSO, and the method shows satisfactory linearity and accuracy. The degree of chemical cross-linking in the investigated gels is close to its theoretical maximum, but the conversion of the pendant amine groups to cross-linking points is strongly dependent on the feed composition of the gels.

Protein energetic conformational analysis from NMR chemical shifts (PECAN) and its use in determining secondary structural elements

Energy Technology Data Exchange (ETDEWEB)

Eghbalnia, Hamid R.; Wang Liya; Bahrami, Arash [National Magnetic Resonance Facility at Madison, Biochemistry Department (United States); Assadi, Amir [University of Wisconsin-Madison, Mathematics Department (United States); Markley, John L. [National Magnetic Resonance Facility at Madison, Biochemistry Department (United States)], E-mail: eghbalni@nmrfam.wisc.edu

2005-05-15

We present an energy model that combines information from the amino acid sequence of a protein and available NMR chemical shifts for the purposes of identifying low energy conformations and determining elements of secondary structure. The model ('PECAN', Protein Energetic Conformational Analysis from NMR chemical shifts) optimizes a combination of sequence information and residue-specific statistical energy function to yield energetic descriptions most favorable to predicting secondary structure. Compared to prior methods for secondary structure determination, PECAN provides increased accuracy and range, particularly in regions of extended structure. Moreover, PECAN uses the energetics to identify residues located at the boundaries between regions of predicted secondary structure that may not fit the stringent secondary structure class definitions. The energy model offers insights into the local energetic patterns that underlie conformational preferences. For example, it shows that the information content for defining secondary structure is localized about a residue and reaches a maximum when two residues on either side are considered. The current release of the PECAN software determines the well-defined regions of secondary structure in novel proteins with assigned chemical shifts with an overall accuracy of 90%, which is close to the practical limit of achievable accuracy in classifying the states.

Protein energetic conformational analysis from NMR chemical shifts (PECAN) and its use in determining secondary structural elements

International Nuclear Information System (INIS)

Eghbalnia, Hamid R.; Wang Liya; Bahrami, Arash; Assadi, Amir; Markley, John L.

2005-01-01

We present an energy model that combines information from the amino acid sequence of a protein and available NMR chemical shifts for the purposes of identifying low energy conformations and determining elements of secondary structure. The model ('PECAN', Protein Energetic Conformational Analysis from NMR chemical shifts) optimizes a combination of sequence information and residue-specific statistical energy function to yield energetic descriptions most favorable to predicting secondary structure. Compared to prior methods for secondary structure determination, PECAN provides increased accuracy and range, particularly in regions of extended structure. Moreover, PECAN uses the energetics to identify residues located at the boundaries between regions of predicted secondary structure that may not fit the stringent secondary structure class definitions. The energy model offers insights into the local energetic patterns that underlie conformational preferences. For example, it shows that the information content for defining secondary structure is localized about a residue and reaches a maximum when two residues on either side are considered. The current release of the PECAN software determines the well-defined regions of secondary structure in novel proteins with assigned chemical shifts with an overall accuracy of 90%, which is close to the practical limit of achievable accuracy in classifying the states

Depth distribution of chemical phase concentration determined by grazing incidence X-ray diffraction

International Nuclear Information System (INIS)

Novak, P.; Ballo, P.; Dobrocka, E.; Vallo, M.; Lalinsky, T.

2013-01-01

Grazing incidence geometry is widely used in X-ray diffraction analysis of thin films. Penetration depth of radiation can be easily changed by an appropriate selection of the angle of incidence α that enables obtaining information from different depths of the sample. This depth can be decreased up to a nanometer scale by approaching the critical angle α_c for total external reflection. This method therefore provides an efficient tool for the analysis of depth distribution of various structural properties, such as the crystallite size, the amorphous fraction, stress or the concentration of chemical phase. However, absorption of the radiation can be characterized by an average attenuation coefficient μ a special care has to be paid to the last property. Variation of chemical phase concentration with depth usually results in depth dependence on the attenuation coefficient. In this contribution a method for determination of depth distribution of a chemical phase is outlined. The method correctly takes into account the depth variation of the attenuation coefficient. The method is tested on thin oxidized Ir layers. The aim of this paper is a comparison two simple model cases with the experimental results. (authors)

Quantitative chemical method for the determination of the disordered carbon component in pyrocarbon coatings of fuel particles

International Nuclear Information System (INIS)

Wolfrum, E.A.; Nickel, H.

1977-01-01

The chemical behavior of the surface of pyrocarbon (PyC) coatings of nuclear fuel particles was investigated in aqueous suspension by reaction with oxygen at room temperature. The concentration of the disordered material component, which has a large internal surface, can be identified by means of a pH change. Using this fact, a chemical method was developed that can be used for the quantitative determination of the concentration of this carbon component in the PyC coating

PIXE and GC–MS investigation for the determination of the chemical composition of Syrian Cuminum cyminum L

International Nuclear Information System (INIS)

Rihawy, M.S.; Bakraji, E.H.; Odeh, A.

2014-01-01

The chemical composition and concentration of Syrian cumin (Cuminum cyminum L.) were investigated. The particle-induced X-ray emission (PIXE) analytical technique was used to analyze a wide range of elements from Mg to Sr. The advantages and disadvantages of the PIXE technique in plant material elemental analysis are discussed. A high level of iron was detected in the cumin samples, clarifying the possible contribution of cumin to maintaining the immune system. The contribution of the elements in cumin seeds to the dietary recommended intakes (DRI) of elements was evaluated. Additionally, GC–MS measurements were performed to determine the chemical composition of cumin essential oil. Twenty-one components were identified, and cuminaldehyde, γ-terpinene, o-cymene, limonene and β-pinene were determined to be the major constituents. A correlation between the chemical composition of cumin seeds and their use as a traditional remedy is proposed. - Highlights: • To our knowledge, there is no published studies focus on the Syrian cumin composition (neither elemental nor essential oil components) in spite of its valuable medicinal importance in the country. • This work is basically dedicated to investigate both elemental content and essential oil component of the Syrian cumin seeds. • The elemental analysis was performed using PIXE, a very powerful elemental analysis technique and the essential oil components were determined using GC–MS

Determination of solvents permeating through chemical protective clothing with a microsensor array.

Science.gov (United States)

Park, J; Zellers, E T

2000-08-01

The performance of a novel prototype instrument in determining solvents and solvent mixtures permeating through samples of chemical protective clothing (CPC) materials was evaluated. The instrument contains a mini-preconcentrator and an array of three polymer-coated surface-acoustic-wave (SAW) microsensors whose collective response patterns are used to discriminate among multiple permeants. Permeation tests were performed with a 2.54 cm diameter test cell in an open-loop configuration on samples of common glove materials challenged with four individual solvents, three binary mixtures, and two ternary mixtures. Breakthrough times, defined as the times required for the permeation rate to reach a value of 1 microg cm(-2) min(-1), determined by the instrument were within 3 min of those determined in parallel by manual sampling and gas chromatographic analysis. Permeating solvents were recognized (identified) from their response patterns in 59 out of 64 measurements (92%) and their vapor concentrations were quantified to an accuracy of +/- 31% (typically +/- 10%). These results demonstrate the potential for such instrumentation to provide semi-automated field or bench-top screening of CPC permeation resistance.

Determination of some chemical and microbiological characteristics of Kaymak

Directory of Open Access Journals (Sweden)

Ökten, Sevtap

2006-12-01

Full Text Available Kaymak is a kind of concentrated cream, which is traditionally manufactured from buffalo or cow’s milk in Turkey. It is generally consumed with honey at breakfast and some traditional Turkish desserts. The aim of this study was to determine some chemical and microbiological properties of kaymak. The samples were obtained from different dairy plants producing kaymak from cow’s milk and local markets located in Zmir. They were examined for total solids and fat contents, acidity, pH and peroxide values, as well as counts of coliform bacteria, E. coli, yeast and moulds, and Staphylococci. Chemical characteristics of the samples were generally favorable for Turkish Food Codex. However, microbiological properties of some samples were very poor. Careful considerations should be given by the kaymak industry during manufacturing and storage of the product.Kaymak es una clase de crema concentrada, que se fabrica tradicionalmente de la leche del búfalo o de la vaca en Turquía. Se consume generalmente con la miel en el desayuno y en algunos postres turcos tradicionales. El objetivo de este estudio fue determinar algunas características químicas y microbiológicas del kaymak. Las muestras fueron obtenidas de diversas instalaciones lecheras productoras de kaymak de leche de vaca y de mercados locales situados en Zmir. Se analizó el contenido en sólidos totales y grasas, acidez, pH y valores de peróxido, además del conteo de tan bien como cuentas de las bacterias coliformes, E. coli, levadura y mohos, y estafilococos. Las características químicas de las muestras fueron generalmente aceptables para el Turkish Food Codex. Sin embargo, las características microbiológicas de algunas muestras fueron muy malas. La industria del kaymak debe ser extremadamente cuidadosa durante la fabricación y el almacenaje del producto.

An approach to the determination of physical-chemical limits of energy consumption for the transition to a stationary state

International Nuclear Information System (INIS)

Zimen, K.E.

1975-02-01

The paper gives a model of energy consumption and a programme for its application. Previous models are mainly criticized on the grounds that new technological developments as well as adjustments due to learning processes of homo sapiens are generally not sufficiently accounted for in these models. The approach of this new model is therefore an attempt at the determination of the physical-chemical limiting values for the capacity of the global HST (homo sapiens - Tellus) system or of individual regions with respect to certain critical factors. These limiting values determined by the physical-chemical system of the earth are independent of human ingenuity and flexibility. (orig./AK) [de

Biological and chemical tests of contaminated soils to determine bioavailability and environmentally acceptable endpoints (EAE)

International Nuclear Information System (INIS)

Montgomery, C.R.; Menzie, C.A.; Pauwells, S.J.

1995-01-01

The understanding of the concept of bioavailability of soil contaminants to receptors and its use in supporting the development of EAE is growing but still incomplete. Nonetheless, there is increased awareness of the importance of such data to determine acceptable cleanup levels and achieve timely site closures. This presentation discusses a framework for biological and chemical testing of contaminated soils developed as part of a Gas Research Institute (GRI) project entitled ''Environmentally Acceptable Endpoints in Soil Using a Risk Based Approach to Contaminated Site Management Based on Bioavailability of Chemicals in Soil.'' The presentation reviews the GRI program, and summarizes the findings of the biological and chemical testing section published in the GRI report. The three primary components of the presentation are: (1) defining the concept of bioavailability within the existing risk assessment paradigm, (2) assessing the usefulness of the existing tests to measure bioavailability and test frameworks used to interpret these measurements, and (3) suggesting how a small selection of relevant tests could be incorporated into a flexible testing scheme for soils to address this issue

Development and application of Darwin X-ray diffraction theory for structure and chemical composition determination in multilayered crystals

International Nuclear Information System (INIS)

Wojcik, M.; Gaca, J.; Turos, A.; Strupinski, W.

2000-01-01

The method of investigation of the chemical composition for quaternary heterostructures has been developed. To this end X-ray high resolution diffractometry and RBS methods were applied. This method consists in finding a best fit between experimental diffraction pattern and theoretical one calculated, employing Darwin dynamical diffraction theory for a given model of heterostructure. This procedure was applied to determine the chemical profile in the growth direction for InGaAsP/InP superlattices that were grown by MOCVD technology on 001 InP substrate. The relations between the chemical composition of In x Ga 1-x As y P 1-y layer, its lattice parameter, optoelectronic properties and growth conditions were found. (author)

Determination of hydration numbers of electrolytes from temperature dependence of PMR chemical shifts

International Nuclear Information System (INIS)

Subramanian, N.

1979-01-01

The method proposed by Malinowski et al. for the determination of effective hydration numbers (h) of electrolytes leads to a consistent incrrease in the observed values of 'h' with increase in solution concentration. An attempt is made to rationalize the experimental results by cosidering the simultaneous effects of temperature and concentration on the proton chemical shift. It is suggested that Malinowski's technique might yeld 'h' values very close to the true value for those ions for which there is a fortuitous cancellation of structure-making and structure-breaking properties. (Author) [pt

Determination of sulfonamides in meat by liquid chromatography coupled with atmospheric pressure chemical ionization mass spectrometry

International Nuclear Information System (INIS)

Kim, Dal Ho; Choi, Jong Oh; Kim, Jin Seog; Lee, Dai Woon

2002-01-01

Liquid chromatography/atmospheric pressure chemical ionization-mass spectrometry (LC-APCI-MS) has been used for the determination of sulfonamides in meat. Five typical sulfonamides were selected as target compounds, and beef meat was selected as a matrix sample. As internal standards, sulfapyridine and isotope labeled sulfamethazine ( 13 C 6 -SMZ) were used. Compared to the results of recent reports, our results have shown improved precision to a RSD of 1.8% for the determination of sulfamethazine spiked with 75 ng/g level in meat

Leaf habit does not determine the investment in both physical and chemical defences and pair-wise correlations between these defensive traits.

Science.gov (United States)

Moreira, X; Pearse, I S

2017-05-01

Plant life-history strategies associated with resource acquisition and economics (e.g. leaf habit) are thought to be fundamental determinants of the traits and mechanisms that drive herbivore pressure, resource allocation to plant defensive traits, and the simultaneous expression (positive correlations) or trade-offs (negative correlations) between these defensive traits. In particular, it is expected that evergreen species - which usually grow slower and support constant herbivore pressure in comparison with deciduous species - will exhibit higher levels of both physical and chemical defences and a higher predisposition to the simultaneous expression of physical and chemical defensive traits. Here, by using a dataset which included 56 oak species (Quercus genus), we investigated whether leaf habit of plant species governs the investment in both physical and chemical defences and pair-wise correlations between these defensive traits. Our results showed that leaf habit does not determine the production of most leaf physical and chemical defences. Although evergreen oak species had higher levels of leaf toughness and specific leaf mass (physical defences) than deciduous oak species, both traits are essentially prerequisites for evergreenness. Similarly, our results also showed that leaf habit does not determine pair-wise correlations between defensive traits because most physical and chemical defensive traits were simultaneously expressed in both evergreen and deciduous oak species. Our findings indicate that leaf habit does not substantially contribute to oak species differences in plant defence investment. © 2017 German Botanical Society and The Royal Botanical Society of the Netherlands.

Determination of the thickness of chemically removed thin layers on GaAs VPE structures

Energy Technology Data Exchange (ETDEWEB)

Somogyi, K.; Nemeth-Sallay, M.; Nemcsics, A. (Research Inst. for Technical Physics, Hungarian Academy of Sciences, Budapest (Hungary))

1991-01-01

Thinning of epitaxial GaAs layers was studied during the surface etching, with a special attention to submicron epitaxial structures, like MESFET or varactor-type structures. Each chemical treatment influences the crystal surface during the device preparation processes, though the possible thinning of the active layer is small. Therefore a method allowing determination of thicknesses as small as at about 20 nm of the layer removed by chemical etching from GaAs VPE structures was applied. Using special multilayered structures and a continuous electrochemical carrier concentration depth profiling, the influence of the layer thickness inhomogeneity and of some measurement errors can be minimized. Some frequently used etchants and the influence of different - so called - non-etching processes were compared in different combinations. It was shown that besides the direct etching a change of the surface conditions occurs, which influences the etch rate in the succeeding etching procedure. (orig.).

Chemical modifiers in electrothermal atomic absorption determination of Platinum and Palladium containing preparations in blood serum

Directory of Open Access Journals (Sweden)

Аntonina Alemasova

2012-11-01

Full Text Available The biological liquids matrixes influence on the characteristic masses and repeatability of Pt and Pd electrothermal atomic absorption spectroscopy (ETAAS determination was studied. The chemical modifiers dimethylglyoxime and ascorbic acid for matrix interferences elimination and ETAAS results repeatability improvement were proposed while bioliquids ETAAS analysis, and their action mechanism was discussed.

Determination of Students' Alternative Conceptions about Chemical Equilibrium: A Review of Research and the Case of Turkey

Science.gov (United States)

Ozmen, Haluk

2008-01-01

This study aims to determine prospective science student teachers' alternative conceptions of the chemical equilibrium concept. A 13-item pencil and paper, two-tier multiple choice diagnostic instrument, the Test to Identify Students' Alternative Conceptions (TISAC), was developed and administered to 90 second-semester science student teachers…

Miniaturized and green method for determination of chemical oxygen demand using UV-induced oxidation with hydrogen peroxide and single drop microextraction

International Nuclear Information System (INIS)

Akhoundzadeh, Jeyran; Chamsaz, Mahmoud; Costas, Marta; Lavilla, Isela; Bendicho, Carlos

2013-01-01

We report on a green method for the determination of low levels of chemical oxygen demand. It is based on the combination of (a) UV-induced oxidation with hydrogen peroxide, (b) headspace single-drop microextraction with in-drop precipitation, and (c) micro-turbidimetry. The generation of CO 2 after photolytic oxidation followed by its sequestration onto a microdrop of barium hydroxide gives rise to a precipitate of barium carbonate which is quantified by turbidimetry. UV-light induced oxidation was studied in the absence and presence of H 2 O 2 , ultrasound, and ferrous ion. Determinations of chemical oxygen demand were performed using potassium hydrogen phthalate as a model compound. The optimized method gives a calibration curve that is linear between 3.4 and 20 mg L −1 oxygen. The detection limit was 1.2 mg L −1 of oxygen, and the repeatability (as relative standard deviation) was around 5 %. The method was successfully applied to the determination of chemical oxygen demand in different natural waters and a synthetic wastewater. (author)

Determination of chemical state of Al doping element in ZnO layer

International Nuclear Information System (INIS)

Csik, A.; Toth, J.; Lovics, R.; Takats, V.; Hakl, J.; Vad, K.

2011-01-01

profiling of these layered structures. After determination of the depth of the embedded AlO layer with the precision of 1 nm, we sputtered the upper ZnO atomic layers until the AlO layer was revealed and determined the chemical state of Al in the thin AlO layer by the XPS instrument. During the whole experiment the samples were in high vacuum so as to exclude the contamination of the surface. Acknowledgements. This work was supported by the National Office for Research and Technology (Grant nos. OTKA 73424 and TFSOLAR2).

Determination of chemical elements in africanized Apis mellifera (Hymenoptera: Apidae honey samples from the State of Piauí, Brazil

Directory of Open Access Journals (Sweden)

Geni da Silva Sodré

2007-08-01

Full Text Available Honey is a food used since the most remote times, appreciated for its characteristic flavor, considerable nutritional value and medicinal properties; however, little information exists about the presence of chemical elements in it. The objectives of this work were to determine the chemical elements present in 38 honey samples, collected directly from beekeepers from the State of Piauí, Brazil and to verify whether they presented any contamination. The chemical elements were determined by means of Total Reflection X-ray Fluorescence. The means of three replicates were: K (109.671 ± 17.487, Ca (14.471 ± 3.8797, Ti (0.112 ± 0.07, Cr (0.196 ± 0.11, Mn (0.493 ± 0.103, Fe (1.722 ± 0.446, Co (0.038, Ni (0.728 ± 0.706, Cu (0.179 ± 0.0471, Zn (0.967 ± 0.653, Se (not detected, Br (not detected, Rb (0.371 ± 0.097, Sr (0.145 ± 0.45, Ba (11.681, Hg (not detected, and Pb (0.863 µg g-1.

A laboratory manual for the determination of inorganic chemical contaminants and nutrients in sewage sludges

International Nuclear Information System (INIS)

Smith, R.

1984-01-01

In addition to a brief discussion on sewage sludge disposal, sludge contaminants, and the potential beneficial and adverse effects of the various inorganic chemical contaminants and nutrients commonly present in sewage sludge, this technical guide presents a scheme of analysis for the determination of the major inorganic contaminants and nutrients. Safety and simplicity were the main criteria considered in the selection of the various sample pretreatment procedures and analytical techniques

Simultaneous determination of some ultraviolet-absorbing chemicals in sunscreen cosmetics using a high-performance liquid chromatography method.

Science.gov (United States)

Liu, T; Wu, D

2011-10-01

A method of gradient elution high-performance liquid chromatography (HPLC) for simultaneous determination of 11 different ultraviolet-absorbing chemicals of phenylbenzlmldazole sulphonic acid, 4-aminobenzoic acid, benzophenone-4, benzophenone-3, isoamyl p-methoxycinnamate, 4-methylbenzylidene camphor, octocrylene, ethylhexyl methoxycinnamate, homosalate, ethylhexyl salicylate, methylene bis-benzotriazolyl tetramethylbutyl phenol was developed for the application to sunscreen cosmetic products. In this study, an Agilent SB-C18 analytical column (250 × 4.6 mm, 5 μm) was utilized and methanol, tetrahydrofuran and perchloric acid aqueous solution (0.2 mL HClO(4) + 300 mL H(2)O) were used for gradient elution at a total flow rate of 1.0 mL min(-1). The optimum conditions for 11 different ultraviolet-absorbing chemicals analyses were investigated. All calibration curves showed good linear regression with UV detection (311 nm) within test ranges. The correlation coefficients were better than 0.999 in all cases. The assay was simple, selective, convenient and reproducible and is suitable for the determination of ultraviolet-absorbing chemicals in commercial sunscreen cosmetic products. The use frequency of 11 different ultraviolet absorbents in 100 sunscreen cosmetics was investigated and statistically analysed. The ultraviolet absorbent of maximum use frequency was ethylhexyl methoxycinnamate. © 2011 The Authors. ICS © 2011 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

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.

Extraction tools for identification of chemical contaminants in estuarine and coastal waters to determine toxic pressure on primary producers.

Science.gov (United States)

Booij, Petra; Sjollema, Sascha B; Leonards, Pim E G; de Voogt, Pim; Stroomberg, Gerard J; Vethaak, A Dick; Lamoree, Marja H

2013-09-01

The extent to which chemical stressors affect primary producers in estuarine and coastal waters is largely unknown. However, given the large number of legacy pollutants and chemicals of emerging concern present in the environment, this is an important and relevant issue that requires further study. The purpose of our study was to extract and identify compounds which are inhibitors of photosystem II activity in microalgae from estuarine and coastal waters. Field sampling was conducted in the Western Scheldt estuary (Hansweert, The Netherlands). We compared four different commonly used extraction methods: passive sampling with silicone rubber sheets, polar organic integrative samplers (POCIS) and spot water sampling using two different solid phase extraction (SPE) cartridges. Toxic effects of extracts prepared from spot water samples and passive samplers were determined in the Pulse Amplitude Modulation (PAM) fluorometry bioassay. With target chemical analysis using LC-MS and GC-MS, a set of PAHs, PCBs and pesticides was determined in field samples. These compound classes are listed as priority substances for the marine environment by the OSPAR convention. In addition, recovery experiments with both SPE cartridges were performed to evaluate the extraction suitability of these methods. Passive sampling using silicone rubber sheets and POCIS can be applied to determine compounds with different structures and polarities for further identification and determination of toxic pressure on primary producers. The added value of SPE lies in its suitability for quantitative analysis; calibration of passive samplers still needs further investigation for quantification of field concentrations of contaminants. Copyright © 2013 Elsevier Ltd. All rights reserved.

Determination of the chemical yield on the Fricke dosimetry for 192Ir sources used in brachytherapy

International Nuclear Information System (INIS)

David, M.G.; Albuquerque, M.A.G.; Almeida, C.E. de; Rosado, P.H.

2015-01-01

With the aim of developing a primary standard for the absorbed dose to water, for the 192 Ir sources used in high dose rate brachytherapy, this work focuses on the determination of the chemical yield, G(Fe +3 ), using Fricke dosimetry, for the energy of those sources . The G(Fe +3 ) were determined the for three qualities of x-ray beams (150, 250 and 300 kV ) and for 60 Co energy. The G(Fe +3 ) value for the average energy of 192 Ir was obtained by linear fit, the found value was 1,555 ± 0,015 μmol/J. (author)

Increased precision for analysis of protein-ligand dissociation constants determined from chemical shift titrations

Energy Technology Data Exchange (ETDEWEB)

Markin, Craig J.; Spyracopoulos, Leo, E-mail: leo.spyracopoulos@ualberta.ca [University of Alberta, Department of Biochemistry (Canada)

2012-06-15

NMR is ideally suited for the analysis of protein-protein and protein ligand interactions with dissociation constants ranging from {approx}2 {mu}M to {approx}1 mM, and with kinetics in the fast exchange regime on the NMR timescale. For the determination of dissociation constants (K{sub D}) of 1:1 protein-protein or protein-ligand interactions using NMR, the protein and ligand concentrations must necessarily be similar in magnitude to the K{sub D}, and nonlinear least squares analysis of chemical shift changes as a function of ligand concentration is employed to determine estimates for the parameters K{sub D} and the maximum chemical shift change ({Delta}{delta}{sub max}). During a typical NMR titration, the initial protein concentration, [P{sub 0}], is held nearly constant. For this condition, to determine the most accurate parameters for K{sub D} and {Delta}{delta}{sub max} from nonlinear least squares analyses requires initial protein concentrations that are {approx}0.5 Multiplication-Sign K{sub D}, and a maximum concentration for the ligand, or titrant, of {approx}10 Multiplication-Sign [P{sub 0}]. From a practical standpoint, these requirements are often difficult to achieve. Using Monte Carlo simulations, we demonstrate that co-variation of the ligand and protein concentrations during a titration leads to an increase in the precision of the fitted K{sub D} and {Delta}{delta}{sub max} values when [P{sub 0}] > K{sub D}. Importantly, judicious choice of protein and ligand concentrations for a given NMR titration, combined with nonlinear least squares analyses using two independent variables (ligand and protein concentrations) and two parameters (K{sub D} and {Delta}{delta}{sub max}) is a straightforward approach to increasing the accuracy of measured dissociation constants for 1:1 protein-ligand interactions.

Rapid determination of chemical composition and classification of bamboo fractions using visible-near infrared spectroscopy coupled with multivariate data analysis.

Science.gov (United States)

Yang, Zhong; Li, Kang; Zhang, Maomao; Xin, Donglin; Zhang, Junhua

2016-01-01

During conversion of bamboo into biofuels and chemicals, it is necessary to efficiently predict the chemical composition and digestibility of biomass. However, traditional methods for determination of lignocellulosic biomass composition are expensive and time consuming. In this work, a novel and fast method for quantitative and qualitative analysis of chemical composition and enzymatic digestibilities of juvenile bamboo and mature bamboo fractions (bamboo green, bamboo timber, bamboo yellow, bamboo node, and bamboo branch) using visible-near infrared spectra was evaluated. The developed partial least squares models yielded coefficients of determination in calibration of 0.88, 0.94, and 0.96, for cellulose, xylan, and lignin of bamboo fractions in raw spectra, respectively. After visible-near infrared spectra being pretreated, the corresponding coefficients of determination in calibration yielded by the developed partial least squares models are 0.994, 0.990, and 0.996, respectively. The score plots of principal component analysis of mature bamboo, juvenile bamboo, and different fractions of mature bamboo were obviously distinguished in raw spectra. Based on partial least squares discriminant analysis, the classification accuracies of mature bamboo, juvenile bamboo, and different fractions of bamboo (bamboo green, bamboo timber, bamboo yellow, and bamboo branch) all reached 100 %. In addition, high accuracies of evaluation of the enzymatic digestibilities of bamboo fractions after pretreatment with aqueous ammonia were also observed. The results showed the potential of visible-near infrared spectroscopy in combination with multivariate analysis in efficiently analyzing the chemical composition and hydrolysabilities of lignocellulosic biomass, such as bamboo fractions.

Evaluation of Chemical and Physical-morphological Factors as Potential Determinants of Biomphalaria pfeifferi (Krauss, 1848 Distribution

Directory of Open Access Journals (Sweden)

Utzinger Jürg

1997-01-01

Full Text Available This study was carried out in five sites along a small perennial river system in south-central Tanzania, which had been identified as the focus for transmission of intestinal schistosomiasis in the area. Malacological surveys preceding the study showed a focal distribution of Biomphalaria pfeifferi, intermediate host snail of Schistosoma mansoni, the snails being present in three sites but absent from the other two sites. The objective of this study was to evaluate to what extent chemical and/or physical-morphological factors determine the distribution of B. pfeifferi between these five sites. It was found that none of the chemical constituents in the waters examined were outside the tolerance range of B. pfeifferi snails. Moreover, the composition of water from B. pfeifferi-free sites was not different from that in those sites where snails occurred. Furthermore, none of the physical-morphological constituents seemed likely to be a determinant for the absence of B. pfeifferi. In view of these findings, and those of previous studies, it is concluded that the focal distribution of B. pfeifferi cannot be associated with a single environmental factor and is rather the result of more complex interactions of habitat factors

Chemical Methods for the Determination of Soluble and Insoluble Non-Starch Polysaccharides - Review

Directory of Open Access Journals (Sweden)

Rodica Căpriţă

2011-10-01

Full Text Available Polysaccharides are macromolecules of monosaccharides linked by glycosidic bonds. Non-starch polysaccharides(NSP are principally non-α-glucan polysaccharides of the plant cell wall. They are a heterogeneous group ofpolysaccharides with varying degrees of water solubility, size, and structure. The water insoluble fiber fractioninclude cellulose, galactomannans, xylans, xyloglucans, and lignin, while the water-soluble fibers are the pectins,arabinogalactans, arabinoxylans, and β-(1,3(1,4-D-glucans (β-glucans. Both the enzymatic-gravimetric andenzymatic-chemical methods used for the determination of soluble and insoluble non-starch polysaccharides haveundergone a number of modifications and improvements, most occurring over the last 20 years.

Chemical compositions of magnetic, stony spherules from deep-sea sediments determined by instrumental neutron activation analysis

International Nuclear Information System (INIS)

Yamakoshi, Kazuo

1984-01-01

Chemical compositions of magnetic, stony spherules from deep sea sediments were determined by instrumental neutron activation analysis. High Ir, Au, Ni and Co contents indicate their extraterrestrial origin. The obtained compositions are considerably different from those of chondrites. It can be qualitatively interpreted, however, that cosmic matters having the compositions of chondrites are changed into magnetic, stony spherules by thermal degenerations during their atmospheric entry. (author)

DETERMINING LIGHTFASTNESS PROPERTIES OF VEGETABLE TANNINS AND CHEMICAL PROPERTIES OF THE LEATHERS TANNED WITH MODIFIED MIMOSA AND QUEBRACHO

Directory of Open Access Journals (Sweden)

OMUR Sukru

2016-05-01

Full Text Available The vegetable tannins are the oldest tanning agents used in leather industry. They give their natural character and colour to the leathers which they are applied to, but they have the disadvantage of colour change when they are exposed to light for prolonged times. In this study light fastness properties of leathers tanned with mimosa, quebracho, valonea and chestnut tannins were measured. Lightfastness properties of mimosa and quebracho tannins were found lower. Then these tannins were modified with sulphitation, novalac synthesis and sulphomethylation processes. Lightfastness and determination of volatile matter, determination of matter soluble in dichloromethane, determination of sulphated total ash and sulphated water-insoluble ash, determination of water soluble matter, water soluble inorganic matter and water soluble organic matter, determination of nitrogen content and hide substance, calculation of degree of tannage determination of formaldehyde content analyses were performed to the leathers tanned with modified mimosa and quebracho tannins. From comparison of results, it was understood that sulpmethylation process can be used for production of leathers with higher lightfastness and without major change on chemical properties. When chemical properties of leathers tanned with modified quebracho and mimosa are considered: volatile matter, sulphated total ash and sulphated water- insoluble ash, water soluble matter, water soluble inorganic matter and water soluble organic matter, hide substance and formaldehyde contents were found compatible with standard mimosa and quebracho. However degree of tannage and matter soluble in dichloromethane values were found lower, which means some enhancements in modification or fatliquoring process should be considered.

Chemical aspects of the precise and accurate determination of uranium and plutonium from nuclear fuel solutions

International Nuclear Information System (INIS)

Heinonen, O.J.

1981-01-01

A method for the simultaneous or separate determination of uranium and plutonium has been developed. The method is based on the sorption of uranium and plutonium as their chloro complexes on Dowex 1x10 column. When separate uranium and plutonium fractions are desired, plutonium ions are reduced to Pu (III) and eluted, after which the uranium ions are eluted with dilute HCl. Simultaneous stripping of a mass ratio U/Pu approximately 1 fraction for mass spectrometric measurements is achieved by proper choice of eluant HC1 concentration. Special attention was paid to the obtaining of americium free plutonium fractions. The distribution coefficient measurements showed that at 12.5-M HCl at least 30 % of americium ions formed anionic chloro complexes. The chemical aspects of isotopic fractionation in a multiple filament thermal ionization source were also investigated. Samples of uranium were loaded as nitrates, chlorides, and sulphates and the dependence of the measured uranium isotopic ratios on the chemical form of the loading solution as well as on the filament material was studied. Likewise the dependence of the formation of uranium and its oxide ions on various chemical and instrumental conditions was investigated using tungsten and rhenium filaments. Systematic errors arising from the chemical conditions are compared with errors arising from the automatic evaluation of of spectra. (author)

Determination of chemical elements in Eucalyptus grandis, manured with Ballad's, by neutrons activation analysis

International Nuclear Information System (INIS)

Mateus, Natalina de Fatima; Madi Filho, Tufic

2007-01-01

The biosolid is a mud resulting from the biological treatment of wasted liquids. It is considered as a profitable alternative and important to minimize the environmental impact generated by the sewage thrown in to sanitary lands, in forest cultures like the Eucalyptus grandis. The objective of this work was to detect which chemical elements are present in Eucalyptus grandis samples, fertilized with different quantities of biosolid. The eucalyptuses of Estacao Experimental de Ciencias Florestais of Itatinga were planted in March of 1998 and collected with five years old. The used biosolid was produced by Station of Treatment of Sewer of Barueri - SP, classified as kind B. For the determination of the presence and quantity of chemical elements in the eucalyptus samples, an analysis technique by neutronic activation (NAA) was used followed by gamma rays spectroscopy. The samples were irradiated in the Nuclear Reactor IEA-R1 of IPEN-SP, followed by the measure of induced gamma rays activity, using a Detector HPGe. The presence, mainly of Br, Mn, Na and K, was detected in all analyzed samples. (author)

Determining treatment frequency for controlling weeds on traffic islands using chemical and non-chemical weed control

DEFF Research Database (Denmark)

Rask, Anne Merete; Larsen, S.U.; Andreasen, Christian

2013-01-01

Many public authorities rely on the use of non-chemical weed control methods, due to stringent restrictions on herbicide use in urban areas. However, these methods usually require more repeated treatments than chemical weed management, resulting in increased costs of weed management. In order...... of treatments per year were required: glyphosate 2.5, hot water 3, flames 5, hot air/flames 5.5 and steam 5.5 treatments. The results demonstrate that the weed control should be adjusted to the prescribed quality for the traffic islands by regularly assessing the need for weed control. They also show...... to investigate the efficacy of four non-chemical weed control methods and glyphosate treatment, experiments were carried out on traffic islands in the growing seasons 2005 and 2006. Three trial sites were each divided into six treatment areas, which were either treated with glyphosate, flame, steam, hot air...

Organic, inorganic and total mercury determination in fish by chemical vapor generation with collection on a gold gauze and electrothermal atomic absorption spectrometry

International Nuclear Information System (INIS)

Duarte, Fabio Andrei; Bizzi, Cezar Augusto; Goldschmidt Antes, Fabiane; Dressler, Valderi Luiz; Flores, Erico Marlon de Moraes

2009-01-01

A method for organic, inorganic and total mercury determination in fish tissue has been developed using chemical vapor generation and collection of mercury vapor on a gold gauze inside a graphite tube and further atomization by electrothermal atomic absorption spectrometry. After drying and cryogenic grinding, potassium bromide and hydrochloric acid solution (1 mol L - 1 KBr in 6 mol L - 1 HCl) was added to the samples. After centrifugation, total mercury was determined in the supernatant. Organomercury compounds were selectively extracted from KBr solution using chloroform and the resultant solution was back extracted with 1% m/v L-cysteine. This solution was used for organic Hg determination. Inorganic Hg remaining in KBr solution was directly determined by chemical vapor generation electrothermal atomic absorption spectrometry. Mercury vapor generation from extracts was performed using 1 mol L - 1 HCl and 2.5% m/v NaBH 4 solutions and a batch chemical vapor generation system. Mercury vapor was collected on the gold gauze heated resistively at 80 deg. C and the atomization temperature was set at 650 deg. C. The selectivity of extraction was evaluated using liquid chromatography coupled to chemical vapor generation and determination by inductively coupled plasma mass spectrometry. The proposed method was applied for mercury analysis in shark, croaker and tuna fish tissues. Certified reference materials were used to check accuracy and the agreement was better than 95%. The characteristic mass was 60 pg and method limits of detection were 5, 1 and 1 ng g - 1 for organic, inorganic and total mercury, respectively. With the proposed method it was possible to analyze up to 2, 2 and 6 samples per hour for organic, inorganic and total Hg determination, respectively.

Direct determination of cadmium in Orujo spirit samples by electrothermal atomic absorption spectrometry: Comparative study of different chemical modifiers

International Nuclear Information System (INIS)

Vilar Farinas, M.; Barciela Garcia, J.; Garcia Martin, S.; Pena Crecente, R.; Herrero Latorre, C.

2007-01-01

In this work, several analytical methods are proposed for cadmium determination in Orujo spirit samples using electrothermal atomic absorption spectrometry (ETAAS). Permanent chemical modifiers thermally coated on the platforms inserted in pyrolytic graphite tubes (such as W, Ir, Ru, W-Ir and W-Ru) were comparatively studied in relation to common chemical modifier mixtures [Pd-Mg(NO 3 ) 2 and (NH 4 )H 2 PO 4 -Mg(NO 3 ) 2 ] for cadmium stabilization. Different ETAAS Cd determination methods based on the indicated modifiers have been developed. In each case, pyrolysis and atomization temperatures, atomization shapes, characteristic masses and detection limits as well as other analytical characteristics have been determined. All the assayed modifiers (permanent and conventional) were capable of achieving the appropriate stabilization of the analyte, with the exception of Ru and W-Ru. Moreover, for all developed methods, recoveries (99-102%) and precision (R.S.D. lower than 10%) were acceptable. Taking into account the analytical performance (best detection limit LOD = 0.01 μg L -1 ), the ETAAS method based on the use of W as a permanent modifier was selected for further direct Cd determinations in Orujo samples from Galicia (NW Spain). The chosen method was applied in the determination of the Cd content in 38 representative Galician samples. The cadmium concentrations ranged -1

The use of aldehyde indicators to determine glutaraldehyde and alkaline glutaraldehyde contamination in chemical protective gloves.

Science.gov (United States)

Vo, Evanly; Zhuang, Zhenzhen

2009-07-01

The aim of this study was to assess the use of aldehyde indicator pads for detection of glutaraldehyde and alkaline glutaraldehyde permeation through chemical protective gloves under simulated in-use conditions. The quantitative analysis of glutaraldehyde permeation through a glove material was determined for Metricide, Wavicide, and 50% glutaraldehyde following a solvent-desorption process and gas chromatographic analysis. All glutaraldehyde solutions exhibited >99% adsorption (including both the glutaraldehyde oligomers of the reaction product and the excess glutaraldehyde) on the pads over the spiking range 0.05-5.0 microL. Breakthrough times for protective gloves were determined using the Thermo-Hand test method, and found to range from 76 to 150, from 170 to 230, and from 232 to 300 min for Metricide, Wavicide, and 50% glutaraldehyde, respectively. Glutaraldehyde recovery was calculated and ranged from 61 to 80% for all glutaraldehyde solutions. The mass of glutaraldehyde in these solutions at the time of breakthrough detection ranged from 17 to 18, from 18 to 19, and from 19 to 20 microg/cm(2) for Wavicide, 50% glutaraldehyde solution, and Metricide, respectively. Aldehyde indicator pads and the Thermo-Hand test method together should find utility in detecting, collecting, and quantitatively analyzing glutaraldehyde permeation samples through chemical protective gloves under simulated in-use conditions.

Quantum dots assisted photocatalysis for the chemiluminometric determination of chemical oxygen demand using a single interface flow system

Energy Technology Data Exchange (ETDEWEB)

Silvestre, Cristina I.C.; Frigerio, Christian [Requimte, Department of Chemistry, Faculty of Pharmacy, Porto University, Rua Anibal Cunha 164, 4099-030, Porto (Portugal); Santos, Joao L.M., E-mail: joaolms@ff.up.pt [Requimte, Department of Chemistry, Faculty of Pharmacy, Porto University, Rua Anibal Cunha 164, 4099-030, Porto (Portugal); Lima, Jose L.F.C. [Requimte, Department of Chemistry, Faculty of Pharmacy, Porto University, Rua Anibal Cunha 164, 4099-030, Porto (Portugal)

2011-08-12

Highlights: {yields} A novel flow method for the determination of chemical oxygen demand is proposed. {yields} CdTe nanocrystals are irradiated with UV light to generate strong oxidizing species. {yields} Reactive species promote a fast catalytic degradation of organic matter. {yields} Luminol is used as a chemiluminescence probe for indirect COD assessment. {yields} A single interface flow system was implemented to automate the assays. - Abstract: A novel flow method for the determination of chemical oxygen demand (COD) is proposed in this work. It relies on the combination of a fully automated single interface flow system, an on-line UV photocatalytic unit and quantum dot (QD) nanotechnology. The developed approach takes advantage of CdTe nanocrystals capacity to generate strong oxidizing species upon irradiation with UV light, which fostered a fast catalytic degradation of the organic compounds. Luminol was used as a chemiluminescence (CL) probe for indirect COD assessment, since it is easily oxidized by the QD generated species yielding a strong CL emission that is quenched in the presence of the organic matter. The proposed methodology allowed the determination of COD concentrations between 1 and 35 mg L{sup -1}, with good precision (R.S.D. < 1.1%, n = 3) and a sampling frequency of about 33 h{sup -1}. The procedure was applied to the determination of COD in wastewater certified reference materials and the obtained results showed an excellent agreement with the certified values.

Direct determination of cadmium in Orujo spirit samples by electrothermal atomic absorption spectrometry: Comparative study of different chemical modifiers

Energy Technology Data Exchange (ETDEWEB)

Vilar Farinas, M. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Barciela Garcia, J. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Garcia Martin, S. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Pena Crecente, R. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Herrero Latorre, C. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain)]. E-mail: cherrero@lugo.usc.es

2007-05-22

In this work, several analytical methods are proposed for cadmium determination in Orujo spirit samples using electrothermal atomic absorption spectrometry (ETAAS). Permanent chemical modifiers thermally coated on the platforms inserted in pyrolytic graphite tubes (such as W, Ir, Ru, W-Ir and W-Ru) were comparatively studied in relation to common chemical modifier mixtures [Pd-Mg(NO{sub 3}){sub 2} and (NH{sub 4})H{sub 2}PO{sub 4}-Mg(NO{sub 3}){sub 2}] for cadmium stabilization. Different ETAAS Cd determination methods based on the indicated modifiers have been developed. In each case, pyrolysis and atomization temperatures, atomization shapes, characteristic masses and detection limits as well as other analytical characteristics have been determined. All the assayed modifiers (permanent and conventional) were capable of achieving the appropriate stabilization of the analyte, with the exception of Ru and W-Ru. Moreover, for all developed methods, recoveries (99-102%) and precision (R.S.D. lower than 10%) were acceptable. Taking into account the analytical performance (best detection limit LOD = 0.01 {mu}g L{sup -1}), the ETAAS method based on the use of W as a permanent modifier was selected for further direct Cd determinations in Orujo samples from Galicia (NW Spain). The chosen method was applied in the determination of the Cd content in 38 representative Galician samples. The cadmium concentrations ranged

Chemical preparation of biological materials for accurate chromium determination by isotope dilution mass spectrometry

International Nuclear Information System (INIS)

Dunstan, L.P.; Garner, E.L.

1977-01-01

The current interest in trace elements in biological materials has created a need for accurate methods of analysis. The source of discrepancies and variations in chromium concentration determinations is often traceable to inadequate methods of sample preparation. Any method of Cr analysis that requires acid digestion of a biological matrix must take into consideration the existence or formation of a volatile Cr component. In addition, because Cr is often present at concentrations less than 1 μg/g, the analytical blank becomes a potential source of error. Chemical procedures have been developed for the digestion of the biological matrix and the separation of Cr without either large analytical blanks or significant losses by volatilization. These procedures have been used for the analysis of NBS Standard Reference Material (SRM) 1569 Brewers Yeast; SRM 1577 Bovine Liver; SRM 1570 Spinach and other biological materials including human hair and nails. At this time, samples containing 1 μg of Cr can be determined with an estimated accuracy of 2 percent

Determining octanol-water partition coefficients for extremely hydrophobic chemicals by combining "slow stirring" and solid-phase microextraction.

Science.gov (United States)

Jonker, Michiel T O

2016-06-01

Octanol-water partition coefficients (KOW ) are widely used in fate and effects modeling of chemicals. Still, high-quality experimental KOW data are scarce, in particular for very hydrophobic chemicals. This hampers reliable assessments of several fate and effect parameters and the development and validation of new models. One reason for the limited availability of experimental values may relate to the challenging nature of KOW measurements. In the present study, KOW values for 13 polycyclic aromatic hydrocarbons were determined with the gold standard "slow-stirring" method (log KOW 4.6-7.2). These values were then used as reference data for the development of an alternative method for measuring KOW . This approach combined slow stirring and equilibrium sampling of the extremely low aqueous concentrations with polydimethylsiloxane-coated solid-phase microextraction fibers, applying experimentally determined fiber-water partition coefficients. It resulted in KOW values matching the slow-stirring data very well. Therefore, the method was subsequently applied to a series of 17 moderately to extremely hydrophobic petrochemical compounds. The obtained KOW values spanned almost 6 orders of magnitude, with the highest value measuring 10(10.6) . The present study demonstrates that the hydrophobicity domain within which experimental KOW measurements are possible can be extended with the help of solid-phase microextraction and that experimentally determined KOW values can exceed the proposed upper limit of 10(9) . Environ Toxicol Chem 2016;35:1371-1377. © 2015 SETAC. © 2015 SETAC.

Chapter 7. Monitoring of chemical contamination of the environment and analytical-chemical monitoring

International Nuclear Information System (INIS)

Sojak, L.

2006-01-01

This chapter deals with the monitoring of chemical contamination of the environment and analytical-chemical monitoring. There are presented: the concept o monitoring of the environment of the Slovak Republic; unified monitoring system and complex information about state and development of the environment; analytical methods determination of chemical contaminants in the environment

Sorption of organic chemicals at biogeochemical interfaces - calorimetric measurements

Science.gov (United States)

Krüger, J.; Lang, F.; Siemens, J.; Kaupenjohann, M.

2009-04-01

Biogeochemical interfaces in soil act as sorbents for organic chemicals, thereby controlling the degradation and mobility of these substances in terrestrial environments. Physicochemical properties of the organic chemicals and the sorbent determine sorptive interactions. We hypothesize that the sorption of hydrophobic organic chemicals ("R-determined" chemicals) is an entropy-driven partitioning process between the bulk aqueous phase and biogeochemical interface and that the attachment of more polar organic chemicals ("F-determined" chemicals) to mineral surfaces is due to electrostatic interactions and ligand exchange involving functional groups. In order to determine thermodynamic parameters of sorbate/sorbent interactions calorimetric titration experiments have been conducted at 20˚ C using a Nanocalorimeter (TAM III, Thermometric). Solutions of different organic substances ("R-determined" chemicals: phenanthrene, bisphenol A, "F-determined" chemicals: MCPA, bentazone) with concentrations of 100 mol l-1 were added to suspensions of pure minerals (goethite, muscovite, and kaolinite and to polygalacturonic acid (PGA) as model substance for biofilms in soil. Specific surface, porosity, N and C content, particle size and point of zero charge of the mineral were analyzed to characterize the sorbents. The obtained heat quantities for the initial injection of the organic chemicals to the goethite were 55 and 71 J for bisphenol A and phenanthrene ("R-determined representatives") and 92 and 105 J for MCPA and bentazone ("F-determined" representatives). Further experiments with muscovite, kaolinite and PGA are in progress to determine G and H of the adsorption process.

Determination of Five Chemical Markers in DF Formula, the Herbal Composition of Ephedra intermedia, Rheum palmatum, and Lithospermum erythrorhizon, Using High-performance Liquid Chromatography-ultraviolet Detection.

Science.gov (United States)

Jeong, Birang; Roh, Jong Seong; Yoon, Michung; Yoon, Yoosik; Shin, Soon Shik; Cho, Hyun Joo; Kwon, Yong Soo; Yang, Heejung

2018-01-01

DF formula is a herbal preparation comprised three medicinal herbs, namely, Ephedra intermedia , Rheum palmatum , and Lithospermum erythrorhizon , which is being used for the treatment of obesity and liver fibrosis in Korean local clinics. Since the abovementioned three herbs exist with different proportions in DF formula and their chemical markers have different physiochemical properties; it is quite challenging to develop an analytical methodology for the determination of these chemical markers. For the analysis of the three herbs, five chemicals, (+)-pseudoephedrine (1) and (-)-ephedrine (2) for E. intermedia , aloe-emodin (3), and chrysophanol (4) for R. palmatum , and shikonin (5) for L. erythrorhizon , were selected for method validation of DF formula, and the analytical conditions were optimized and validated using high-performance liquid chromatography coupled with an ultraviolet detector (HPLC-UV). The specificities for the five compounds 1-5 were determined by their UV absorption spectra (1-4: 215 nm and 5: 520 nm). Their calibration curves showed good linear regressions with high correlation coefficient values ( R 2 > 0.9997). The limits of detection of these five markers were in the range 0.4-2.1 ng/mL, with the exception of 5 (12.7 ng/mL). The intraday variability for all the chemical markers was less than a Relative standard deviation (RSD) of 3%, except for 5 (RSD = 12.6%). In the case of interday analysis, 1 (1.0%), 2 (3.1%), and 4 (3.7%) showed much lower variabilities (RSD chemical markers showed good recoveries with good accuracies in the range of 90%-110%. The developed HPLC-UV method for the determination of the five chemical markers of the components of DF formula was validated. DF formula, the herbal composition of Ephedra intermedia , Rheum palmatum and Lithospermum erythrorhizon Five chemical markers in DF formula were (+)-pseudoephedrine (1) and (-)-ephedrine (2) for E. intermedia , aloe-emodin (3) and chrysopanol (4) for R. palmatum , and

Method for determining the optimum mode of operation of the chemical water regime in the water-steam-circuit of power plants

International Nuclear Information System (INIS)

Sommerfeldt, P.; Reisner, H.; Hartmann, G.; Kulicke, P.

1988-01-01

The method aims at increasing the lifetime of secondary coolant circuit components in nuclear power plants through the determination of the optimum mode of operation of the chemical water regime by help of radioisotopes

Review of analytical techniques to determine the chemical forms of vapours and aerosols released from overheated fuel

International Nuclear Information System (INIS)

Bowsher, B.R.; Nichols, A.L.

1989-12-01

A comprehensive review has been undertaken of appropriate analytical techniques to monitor and measure the chemical effects that occur in large-scale tests designed to study severe reactor accidents. Various methods have been developed to determine the chemical forms of the vapours, aerosols and deposits generated during and after such integral experiments. Other specific techniques have the long-term potential to provide some of the desired data in greater detail, although considerable efforts are still required to apply these techniques to the study of radioactive debris. Such in-situ and post-test methods of analysis have been also assessed in terms of their applicability to the analysis of samples from the Phebus-FP tests. The recommended in-situ methods of analysis are gamma-ray spectroscopy, potentiometry, mass spectrometry, and Raman/UV-visible absorption spectroscopy. Vapour/aerosol and deposition samples should also be obtained at well-defined time intervals during each experiment for subsequent post-test analysis. No single technique can provide all the necessary chemical data from these samples, and the most appropriate method of analysis involves a complementary combination of autoradiography, AES, IR, MRS, SEMS/EDS, SIMS/LMIS, XPS and XRD

Quantitative anomalous small-angle X-ray scattering - The determination of chemical concentrations in nano-scale phases

International Nuclear Information System (INIS)

Goerigk, G.; Huber, K.; Mattern, N.; Williamson, D.L.

2012-01-01

In the last years Anomalous Small-Angle X-ray Scattering became a precise quantitative method resolving scattering contributions two or three orders of magnitude smaller compared to the overall small-angle scattering, which are related to the so-called pure-resonant scattering contribution. Additionally to the structural information precise quantitative information about the different constituents of multi-component systems like the fraction of a chemical component implemented into the materials nano-structures are obtained from these scattering contributions. The application of the Gauss elimination algorithm to the vector equation established by ASAXS measurements at three X-ray energies is demonstrated for three examples from chemistry and solid state physics. All examples deal with the quantitative analysis of the Resonant Invariant (RI-analysis). From the integrals of the pure-resonant scattering contribution the chemical concentrations in nano-scaled phases are determined. In one example the correlated analysis of the Resonant Invariant and the Non-resonant Invariant (NI-analysis) is employed. (authors)

The determination of the chemical composition profile of the GaAs/AlGaAs heterostructures designed for quantum cascade lasers by means of synchrotron radiation

International Nuclear Information System (INIS)

Gaca, Jaroslaw; Wojcik, Marek; Bugajski, Maciej; Kosiel, Kamil

2011-01-01

The chemical composition profile of the GaAs/AlGaAs quantum cascade structures grown on (0 0 1) GaAs substrate by molecular beam epitaxy is studied by a synchrotron radiation high-resolution X-ray diffraction. The analysis is carried out for the whole structure as well for its parts. In order to determine some structural parameters, such as: the thickness and chemical composition of each layer making up the investigated structure, the profile of the interface between succeeding layers, and the preservation of the structure periodicity, the experimental X-ray diffraction profiles are compared with simulated ones calculated by means of Darwin dynamical theory of X-ray diffraction. It is shown that this method gives correct chemical composition profiles and allows for the evaluation of the deviations from the designed values of the structural parameters in most investigated cases. Limits of the method are discussed, especially by the determination of the chemical composition profile for thin heterostructures, such as those making active or injector regions.

Production of granular activated carbon from agricultural wastes and determination of their physical, chemical and adsorption properties

Energy Technology Data Exchange (ETDEWEB)

Ayguen, A.; Duman, I. [Istanbul Technical Univ., Inst. of Science and Technology, Dept. of Metallurgical Engineering, Istanbul (Turkey); Yenisoy-Karakas, S. [TUeBITAK Marmara Research Center (MRC), Materials and Chemical Technologies Research Inst., Gebze Kocaeli (Turkey)

2004-07-01

The aim of this study is to produce activated carbons with good mechanical strength and high adsorption capacities toward various organics from food wastes such as walnut, almond, hazelnut shells and apricot stones. Turkey has huge amounts of these wastes in canning industry. The chemical activation with ZnCl{sub 2} was preferred to manufacture activated carbons. The best activation temperature and time were determined. Granular activated carbons were discussed with respect to their physical, chemical, surface area and adsorption properties. For all raw materials, the specific surface areas of greater than 730 m{sup 2} g{sup -1} were reached. As a result of the adsorption studies, adsorption capacities were in order of hazelnut> apricot stones> walnut> almond. The correlation coefficients obtained from Langmuir and Freundlich isotherms are in good agreement with the experimental results. (orig.)

Determination of suitable chemical extraction methods for the available iron content of brown forest soils in Turkey

Science.gov (United States)

Adiloglu, Aydin

2006-09-01

The aim of this research was to determine the available iron (Fe) content of brown forest soils of Edirne Province and the most suitable chemical extraction method. Eight chemical extraction methods (the 0.005 M DTPA + 0.01 M CaCl2 + 0.1 MTEA, 0.05 M HCl + 0.012 M H2SO4, 1 M NH4OAc (pH: 4.8), 0.01 M EDTA + 1 M NH4OAc, 1 M MgCl2, 0.01 M EDTA + 1 M (NH4)2CO3, 0.005 M DTPA + 1 M NH4HCO3, and 0.001 M EDDHA methods) and six biological indices (the dry matter yield, Fe concentration, Fe uptake, relative dry matter yield, relative Fe concentration, and relative Fe uptake) were compared. The biological indices were determined with barley (Hordeum vulgare L.) grown under greenhouse conditions. At the end of the experiment, the highest correlation coefficients (r) were determined to be between the 0.005 M DTPA + 0.01 M CaCl2 + 0.1 M TEA method and the biological indices and between the 0.005 M DTPA + 1 M NH4HCO3 method and the biological indices. The corresponding correlation coefficients (r) for the 0.005 M DTPA + 0.01 M CaCl2 + 0.1 M TEA method and the six biological indices were 0.621**, 0.823**, 0.810** 0.433**, 0.558**, and 0.640**, respectively. For the 0.005 M DTPA + 1 M NH4HCO3 method, these coefficients were equal to 0.618**, 0.520**, 0.679**, 0.521**, 0.492**, and 0.641**, respectively (** indicate the validity of the relationships at p < 0.01) These extraction methods, out of all the methods tested, were suggested for the determination of the available Fe content of the brown forest soils.

Determination and comparison of chemical characteristics of Arbutus unedo L. and Arbutus andrachnae L. (family Ericaceae) fruits.

Science.gov (United States)

Seker, Murat; Toplu, Celil

2010-08-01

The fruits and leaves of Arbutus species are well known in folk medicine as antiseptics, diuretics, and laxatives in many parts of Turkey. Some chemical properties including pH, soluble solid content, titratable acidity, protein, moisture, ash, ascorbic acid, fructose, glucose, sucrose, total phenols, total antioxidant activity, and minerals were determined in fully matured Arbutus unedo L. and Arbutus andrachnae L. fruits collected from different sites of Canakkale, Turkey in 2006 and 2007. Total soluble solids, titratable acidity, protein, moisture, and ash content of A. unedo and A. andrachnae berries were on average 16.0% and 14.0%, 0.4% and 0.6%, 2.38% and 3.77%, 47.21% and 38.21%, and 2.82% and 4.35%, respectively. The mean values of ascorbic acid were 270.50 mg/100 g for A. unedo and 140.30 mg/100 g for A. andrachnae, which suggested that Arbutus berries contain high amounts of vitamin C. In the strawberry tree fruits, fructose and glucose were determined to be the major sugars. The analysis showed that fructose and glucose occurred in concentrations of 24.09% and 19.09%, respectively. However, ripe A. andrachnae fruits contained small amounts of fructose (4.12%), glucose (2.73%), and sucrose (0.16%) detectable by high-performance liquid chromatography analysis. The general order of abundance of the minerals was K > Ca > P > Mg > Na in whole fruit of the strawberry tree. The chemical composition of Arbutus fruits indicates that the fruits are good sources of minerals and ascorbic acid and that they are high in phenolics and antioxidant capacity and low in soluble sugars, especially A. andrachnae. The data should be useful for research purposes and for compiling local food composition tables. In view of its chemical composition, the use of Arbutus fruits in some food products may be suggested.

Determination of mixing characteristics of the river Kabul and the river Indus using physico-chemical and stable isotope parameters

International Nuclear Information System (INIS)

Qureshi, R.M.; Hussain, Q.M.; Sajjad, M.I.; Hussain, S.D.; Latif, Z.

1990-11-01

This report presents a comparative study on the usefulness of stable isotope parameters (hydrogen and oxygen) versus the physico-chemical parameters (electrical conductivity, temperature, pH value) of water to determine the extent of mixing of the river Kabul with the river Indus near Attock. In view of the sampling techniques employed in the present investigations, electrical conductivity and temperature are found to be the best field parameters for a quick estimate of mixing path length. However, the stable isotopes of the water molecule, due to their greater sensitivity and measuring accuracy, provide a better scenario of mixing characteristics as compared to the physico-chemical parameters. It appears that under normal flow condition, it takes about 5 km channel distance for complete mixing of the Kabul river water in the Indus river channel. A computer code MIXABC is developed to determine the percentage contribution of one river water along a mixing channel in the other river. Details of the source programs are presented. The code can be used on any IBM-compatible microsystem. (author)

Targeting acetylcholinesterase: identification of chemical leads by high throughput screening, structure determination and molecular modeling.

Directory of Open Access Journals (Sweden)

Lotta Berg

Full Text Available Acetylcholinesterase (AChE is an essential enzyme that terminates cholinergic transmission by rapid hydrolysis of the neurotransmitter acetylcholine. Compounds inhibiting this enzyme can be used (inter alia to treat cholinergic deficiencies (e.g. in Alzheimer's disease, but may also act as dangerous toxins (e.g. nerve agents such as sarin. Treatment of nerve agent poisoning involves use of antidotes, small molecules capable of reactivating AChE. We have screened a collection of organic molecules to assess their ability to inhibit the enzymatic activity of AChE, aiming to find lead compounds for further optimization leading to drugs with increased efficacy and/or decreased side effects. 124 inhibitors were discovered, with considerable chemical diversity regarding size, polarity, flexibility and charge distribution. An extensive structure determination campaign resulted in a set of crystal structures of protein-ligand complexes. Overall, the ligands have substantial interactions with the peripheral anionic site of AChE, and the majority form additional interactions with the catalytic site (CAS. Reproduction of the bioactive conformation of six of the ligands using molecular docking simulations required modification of the default parameter settings of the docking software. The results show that docking-assisted structure-based design of AChE inhibitors is challenging and requires crystallographic support to obtain reliable results, at least with currently available software. The complex formed between C5685 and Mus musculus AChE (C5685•mAChE is a representative structure for the general binding mode of the determined structures. The CAS binding part of C5685 could not be structurally determined due to a disordered electron density map and the developed docking protocol was used to predict the binding modes of this part of the molecule. We believe that chemical modifications of our discovered inhibitors, biochemical and biophysical

Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

Energy Technology Data Exchange (ETDEWEB)

Gray, S.K. [Argonne National Laboratory, IL (United States)

1993-12-01

A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

A simple chemical method for the separation of phosphorus interfering the trace element determinations by neutron activation analysis in high doped silicon wafers

International Nuclear Information System (INIS)

Wagler, H.; Flachowsky, J.

1986-01-01

Neutron activation analysis is one of the most available method for the determination of trace elements, but in the case of P-doped silicon wafers the 32 P-activity interferes the gamma spectrometry. It is not possible to determine the trace elements without chemical manipulations. On the other hand, time consuming chemical separations should be avoided. Therefore, a simple and rapid P-separation method has to be developed, in which the following twelve trace elements should be taken into consideration: Ag, As, Au, Co, Cr, Cu, Fe, Mo, Na, Sb, W, and Zn. After acid oxidative dissolution of the activated sample, P is present as phosphate ion. The phosphate ion is removed by precipitation as BiPO 4 . (author)

Integrative Chemical-Biological Read-Across Approach for Chemical Hazard Classification

Science.gov (United States)

Low, Yen; Sedykh, Alexander; Fourches, Denis; Golbraikh, Alexander; Whelan, Maurice; Rusyn, Ivan; Tropsha, Alexander

2013-01-01

Traditional read-across approaches typically rely on the chemical similarity principle to predict chemical toxicity; however, the accuracy of such predictions is often inadequate due to the underlying complex mechanisms of toxicity. Here we report on the development of a hazard classification and visualization method that draws upon both chemical structural similarity and comparisons of biological responses to chemicals measured in multiple short-term assays (”biological” similarity). The Chemical-Biological Read-Across (CBRA) approach infers each compound's toxicity from those of both chemical and biological analogs whose similarities are determined by the Tanimoto coefficient. Classification accuracy of CBRA was compared to that of classical RA and other methods using chemical descriptors alone, or in combination with biological data. Different types of adverse effects (hepatotoxicity, hepatocarcinogenicity, mutagenicity, and acute lethality) were classified using several biological data types (gene expression profiling and cytotoxicity screening). CBRA-based hazard classification exhibited consistently high external classification accuracy and applicability to diverse chemicals. Transparency of the CBRA approach is aided by the use of radial plots that show the relative contribution of analogous chemical and biological neighbors. Identification of both chemical and biological features that give rise to the high accuracy of CBRA-based toxicity prediction facilitates mechanistic interpretation of the models. PMID:23848138

Are risks quantitatively determinable

International Nuclear Information System (INIS)

Buetzer, P.

1985-01-01

''Chemical risks'' can only be determined with accurate figures in a few extraordinary cases. The difficulties lie, as has been shown by the example of the Flixborough catastrophe, mostly in the determination of the probabilities of occurrence. With a rough semiquantitative estimate of the potential hazards and the corresponding probabilities we can predict the risks with astonishing accuracy. Statistical data from incidents in the chemical industry are very useful, and they also show that ''chemical catastrophes'' are only to a very small extent initiated by uncontrolled chemical reactions. (orig.) [de

Chemical Reactivity Test (CRT)

Energy Technology Data Exchange (ETDEWEB)

Zaka, F. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2016-12-13

The Chemical Reactivity Test (CRT) is used to determine the thermal stability of High Explosives (HEs) and chemical compatibility between (HEs) and alien materials. The CRT is one of the small-scale safety tests performed on HE at the High Explosives Applications Facility (HEAF).

The TSCA interagency testing committee`s approaches to screening and scoring chemicals and chemical groups: 1977-1983

Energy Technology Data Exchange (ETDEWEB)

Walker, J.D. [Environmental Protection Agency, Washington, DC (United States)

1990-12-31

This paper describes the TSCA interagency testing committee`s (ITC) approaches to screening and scoring chemicals and chemical groups between 1977 and 1983. During this time the ITC conducted five scoring exercises to select chemicals and chemical groups for detailed review and to determine which of these chemicals and chemical groups should be added to the TSCA Section 4(e) Priority Testing List. 29 refs., 1 fig., 2 tabs.

Methods for the Determination of Chemical Contaminants in Drinking Water. Training Manual.

Science.gov (United States)

Office of Water Program Operations (EPA), Cincinnati, OH. National Training and Operational Technology Center.

This training manual, intended for chemists and technicians with little or no experience in chemical procedures required to monitor drinking water, covers analytical methods for inorganic and organic chemical contaminants listed in the interim primary drinking water regulations. Topics include methods for heavy metals, nitrate, and organic…

Neutron activation analysis of biological materials for sub PPM amount of mercury without determining the chemical yield

International Nuclear Information System (INIS)

Foldzinska, A.; Dybczynski, R.

1976-01-01

A simple method for the determination of sub ppm amounts of mercury in various biological materials by neutron activation analysis is described. Irradiated samples were decomposed with H 2 SO 4 - fuming HNO 3 mixture and mercury selectively isolated by ion exchange chromatography using Dowex 50X2(H + ) and Dowex 1X4(Br - ) columns in HBr medium. Finally the activity of 197 Hg fixed on an anion exchange resin was measured either with a Ge(Li) or a NaI (Tl) detector. Both the high radiochemical purity of mercury and the practically quantitative recovery were achieved thus eliminating the necessity of determining the chemical yield. The method was used for the determination of mercury in flour, milk, butter, margarine, fish, etc. Total time of analysis (including counting) amounted to 6-7 hrs and several samples could be simultaneously analysed by one technician. (T.G.)

Natural radiation, radioactive waste and chemical risk determinants

International Nuclear Information System (INIS)

Christensen, T.; Mustonen, R.; Edhwall, H.; Hansen, H.; Soerensen, A.; Stranden, E.

1990-01-01

Doses from natural radiation to the population in the Nordic countries are summarized, and man-made modifications of the natural radiation environment are discussed. An account is given for the radiological concequences of energy concervation by reduced ventilation. Risks from possible future releases of radioactivity from final depositories of spent nuclear fuel are compared to the risks from present natural radioactivity in the environment. The possibilities for comparison between chemical and radiological risks are discussed. 104 refs., 36 figs., 47 tabs

Application of X-ray fluorescence (WDXRF): thickness and chemical composition determination of thin films

International Nuclear Information System (INIS)

Scapin, Valdirene de Oliveira.

2004-01-01

In this work a procedure is described for thickness and quantitative chemical composition of thin films by wavelength dispersion X-ray fluorescence (WDXRF) using Fundamental Parameters method. This method was validated according to quality assurance standard and applied sample Al, Cr, TiO2, Ni, ZrO2 (single thickness) and Ni/Cr (double thickness) on glass; Ni on steel and metallic zinc and TiO2 on metallic iron (single thickness), all the sample were prepared for physical deposition of vapor (PVD). The thickness had been compared with Absorption (FRX-A) and Rutherford Backscattering Spectrometry (RBS) methods; the result showed good efficiency of the fundamental parameters method. Sample structural characteristics analyzed by X ray diffraction (XRD) showed any influence in the thickness determinations. (author)

Cα chemical shift tensors in helical peptides by dipolar-modulated chemical shift recoupling NMR

International Nuclear Information System (INIS)

Yao Xiaolan; Yamaguchi, Satoru; Hong Mei

2002-01-01

The Cα chemical shift tensors of proteins contain information on the backbone conformation. We have determined the magnitude and orientation of the Cα chemical shift tensors of two peptides with α-helical torsion angles: the Ala residue in G*AL (φ=-65.7 deg., ψ=-40 deg.), and the Val residue in GG*V (φ=-81.5 deg., ψ=-50.7 deg.). The magnitude of the tensors was determined from quasi-static powder patterns recoupled under magic-angle spinning, while the orientation of the tensors was extracted from Cα-Hα and Cα-N dipolar modulated powder patterns. The helical Ala Cα chemical shift tensor has a span of 36 ppm and an asymmetry parameter of 0.89. Its σ 11 axis is 116 deg. ± 5 deg. from the Cα-Hα bond while the σ 22 axis is 40 deg. ± 5 deg. from the Cα-N bond. The Val tensor has an anisotropic span of 25 ppm and an asymmetry parameter of 0.33, both much smaller than the values for β-sheet Val found recently (Yao and Hong, 2002). The Val σ 33 axis is tilted by 115 deg. ± 5 deg. from the Cα-Hα bond and 98 deg. ± 5 deg. from the Cα-N bond. These represent the first completely experimentally determined Cα chemical shift tensors of helical peptides. Using an icosahedral representation, we compared the experimental chemical shift tensors with quantum chemical calculations and found overall good agreement. These solid-state chemical shift tensors confirm the observation from cross-correlated relaxation experiments that the projection of the Cα chemical shift tensor onto the Cα-Hα bond is much smaller in α-helices than in β-sheets

Construction of an experimental simplified model for determining of flow parameters in chemical reactors, using nuclear techniques

International Nuclear Information System (INIS)

Araujo Paiva, J.A. de.

1981-03-01

The development of a simplified experimental model for investigation of nuclear techniques to determine the solid phase parameters in gas-solid flows is presented. A method for the measurement of the solid phase residence time inside a chemical reactor of the type utilised in the cracking process of catalytic fluids is described. An appropriate radioactive labelling technique of the solid phase and the construction of an eletronic timing circuit were the principal stages in the definition of measurement technique. (Author) [pt

Chemometrics-assisted spectrophotometry method for the determination of chemical oxygen demand in pulping effluent.

Science.gov (United States)

Chen, Honglei; Chen, Yuancai; Zhan, Huaiyu; Fu, Shiyu

2011-04-01

A new method has been developed for the determination of chemical oxygen demand (COD) in pulping effluent using chemometrics-assisted spectrophotometry. Two calibration models were established by inducing UV-visible spectroscopy (model 1) and derivative spectroscopy (model 2), combined with the chemometrics software Smica-P. Correlation coefficients of the two models are 0.9954 (model 1) and 0.9963 (model 2) when COD of samples is in the range of 0 to 405 mg/L. Sensitivities of the two models are 0.0061 (model 1) and 0.0056 (model 2) and method detection limits are 2.02-2.45 mg/L (model 1) and 2.13-2.51 mg/L (model 2). Validation experiment showed that the average standard deviation of model 2 was 1.11 and that of model 1 was 1.54. Similarly, average relative error of model 2 (4.25%) was lower than model 1 (5.00%), which indicated that the predictability of model 2 was better than that of model 1. Chemometrics-assisted spectrophotometry method did not need chemical reagents and digestion which were required in the conventional methods, and the testing time of the new method was significantly shorter than the conventional ones. The proposed method can be used to measure COD in pulping effluent as an environmentally friendly approach with satisfactory results.

Determinants of Operational Efficiency at Chemical Cargo Terminals

OpenAIRE

T.A. Gúlcan; S. Esmer; Y. Zorba; G. Şengónúl

2014-01-01

In today’s globalized world, one of the requirements of global supply chains is efficient transportation systems. Approximately 80 per cent of world merchandise trade carried by sea and handled by ports worldwide. For this reason, maritime transport has the strategic economic importance. Loading of oil and gas has the biggest share (%30) in commodities carried by sea and 2.9 billion tons oil and gas loaded to ship in 2013. This study is focus on chemical cargo terminals which is a special ter...

Device for collecting chemical compounds and related methods

Science.gov (United States)

Scott, Jill R.; Groenewold, Gary S.; Rae, Catherine

2013-01-01

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 the fixed surfaces 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.

Preparation and Determination of the Physical and Chemical Properties of Margarine

Directory of Open Access Journals (Sweden)

Habazin, S.

2012-02-01

Full Text Available Nutrition is one of the most basic needs of the human body. It ensures the introduction of substances needed to sustain life of the organism, its growth and proper development. In the food pyramid, fats together with carbohydrates are at the very top. One source of fat in human nutrition is margarine. Margarine comprises at least 82 % vegetable fats and 16 % water. The remainder consists of lecithin, sugar, salt, colours, and vitamins.The margarine production process involves hydrogenation of vegetable fats, assembling the margarine mixture, emulsifying, crystallization and packing.The objective of this study was to show that margarine could be prepared in a school laboratory under conditions that are applicable for such laboratory. Meaning:a In a school laboratory at normal pressure and at elevated temperature with nickel as catalyst, i.e. without the use of an autoclave, carry out the reaction of hydrogenation soybean and palm oil in order to obtain a vegetable fat that is the basic ingredient of margarine. During the preparation of margarine, the hydrogenation reaction was carefully monitored by determining the iodine value.b Preparation of margarine obtained from vegetable fats.c Determination and comparison of selected physical and chemical properties of the product with the same properties of several types of margarines available on the market. The following properties were determined:– Melting point, in order to obtain composition of fat phase and determine suitability for humanuse.– Acid value, as an indicator of the amount of free fatty acids that influence the taste.– Peroxide value, for insight into the oxidative stability of fats.This work has shown that it is possible to make vegetable fat in a school lab by hydrogenation of vegetable oils. Unlike the industrial process of hydrogenation carried out under a pressure of 0.36 to 2 atm, which takes about two hours, our reaction was carried out at atmospheric pressure but with a

Chemical sensors in natural water: peculiarities of behaviour of chalcogenide glass electrodes for determination of copper, lead and cadmium ions

International Nuclear Information System (INIS)

Seleznev, B.L.; Legin, A.V.; Vlasov, Yu.G.

1996-01-01

Specific features of chemical sensors (chalcogenide glass and crystal ion-selective electrodes) behaviour have been studied to determine copper (2), lead, cadmium and fluorine in the course of in situ measurements, including long-term uninterrupted testing, for solving the problem of inspection over natural water contamination. 16 refs., 3 figs., 2 tabs

Determination of heavy metal content and physico-chemical properties of soils in the vicinity of Tasik Chini, Pahang

International Nuclear Information System (INIS)

Sahibin Abdul Rahim; Muhd Barzani Gasim; Mohd Nizam Mohd Said; Wan Mohd Razi Idris; Azman Hashim; Sharilnizam Yusof; Masniyana Jamil

2008-01-01

This study was carried out to determine heavy metal content and physico-chemical properties of soils influencing heavy metal accumulation in some series surrounding the Chini Lakes. A total of 15 topsoil sample were collected randomly from 6 stations. The physical properties that were analyzed include particle size distribution and soil organic matter. Meanwhile, the chemical characteristics determined were pH, electrical conductivity and cation exchange capacity. It was found that heavy metal content of Cd, Cr, Cu, Co, Pb, Zn and Mn were low whereas Fe content was high. The textures of soil studied were clay, loamy sand, sandy loam, clay loam and silty clay loam. The mean of organic matter ranged from 2.68 to 11.46 %. The soil pH showed that the soil studied was acidic with values ranged between 3.36 to 3.72. The range of electrical conductivity mean was between 2150 μScm -1 to 2403 μScm -1 . Cation exchange capacity mean ranged from 2.85 until 8.59 cmol/ kg. Correlation analysis showed that there were positive and negative significant correlations between soils parameters heavy metal concentration. Analysis of variance (ANOVA) showed that there were significant differences in organic matter percentage, pH, cation exchange capacity and heavy metals except cadmium between sampling station. (author)

DETERMINATION OF SUITABLE CHEMICAL EXTRACTION METHODS FOR AVAILABLE IRON CONTENT OF THE SOILS FROM EDIRNE PROVINCE IN TURKEY

Directory of Open Access Journals (Sweden)

A ADILOGLU

2002-12-01

Full Text Available The aim of this research was to determine the available iron (Fe content of the soils of Edirne Province and the most suitable chemical extraction method. Eight chemical extraction methods (0.005 M DTPA + 0.01 M CaCl2 + 0.1 M TEA; 0.05 M HCl + 0.012 M H2SO4; 1 M NH4OAc (pH: 4.8; 0.01 M EDTA + 1 M NH4OAc; 1 M MgCl2; 0.01 M EDTA + 1 M (NH42CO3; 0.005 M DTPA + 1 M NH4HCO3 and 0.001 M EDDHA methods and six biological indices (dry matter yield, Fe concentration, Fe uptake, relative dry matter yield, relative Fe concentration, relative Fe uptake were compared. Biological indices were determined with Barley (Hordeum vulgare L. grown under greenhouse conditions. At the end of the experiment, the highest correlation coefficients (r were determined to be between the 0.005 M DTPA + 0.01 M CaCl2 + 0.1 M TEA method and the biological indices and between the 0.005 M DTPA + 1 M NH4HCO3 method and the biological indices. The correlation coefficients (r for the 0.005 M DTPA + 0.01 M CaCl2 +0.1 M TEA method were r=0.621**; r=0.823**; r=0.810**; r=0.433**; r=0.558** and r=0.640** and for the 0.005 M DTPA + 1 M NH4HCO3 method r=0.618** ; r=0.520**; r=0.679**; r=0.521**; r=0.492** and r=0.641**, (**:p<0.01 respectively. These extraction methods, among all the methods tested were suggested for the determination of available Fe content of Edirne Province soils.

An assessment study in the determination of chemical elements in sediments and fish in the Zarka River and King Talal Dam, Jordan

International Nuclear Information System (INIS)

Alsabbagh, A.; Khalayleh, L.; Dbissi, M.; Landsberger, S.

2017-01-01

Concentrations of several trace elements were detected in the sediments at King Talal Dam and at different locations along the Zarka River, Jordan. Chemical elements were also detected in the edible part of common fish types existing at the dam. Elemental concentrations were determined using neutron activation analysis (NAA). The results showed that the concentration of chemical elements in the sediments decreases as one moves away from the Khirbet Al Samra waste water treatment plant. The results also revealed that most of the elements had higher concentrations in Tilapia fish compared to the Catfish. (author)

Uranium and thorium loadings determined by chemical and nondestructive methods in HTGR fuel rods for the Fort St. Vrain Early Validation Irradiation Experiment

International Nuclear Information System (INIS)

Angelini, P.; Rushton, J.E.

1979-01-01

The Fort St. Vrain Early Validation Irradiation Experiment is an irradiation test of reference and of improved High-Temperature Gas-Cooled Reactor fuels in the Fort St. Vrain Reactor. The irradiation test includes fuel rods fabricated at ORNL on an engineering scale fuel rod molding machine. Fuel rods were nondestructively assayed for 235 U content by a technique based on the detection of prompt-fission neutrons induced by thermal-neutron interrogation and were later chemically assayed by using the modified Davies Gray potentiometric titration method. The chemical analysis of the thorium content was determined by a volumetric titration method. The chemical assay method for uranium was evaluated and the results from the as-molded fuel rods agree with those from: (1) large samples of Triso-coated fissile particles, (2) physical mixtures of the three particle types, and (3) standard solutions to within 0.05%. Standard fuel rods were fabricated in order to evaluate and calibrate the nondestructive assay device. The agreement of the results from calibration methods was within 0.6%. The precision of the nondestructive assay device was established as approximately 0.6% by repeated measurements of standard rods. The precision was comparable to that estimated by Poisson statistics. A relative difference of 0.77 to 1.5% was found between the nondestructive and chemical determinations on the reactor grade fuel rods

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

Technology assessment for the determination of chemical agent vapors in demilitarization facilities: Final report

Energy Technology Data Exchange (ETDEWEB)

Maskarinec, M.P.; Wise, M.B.; Buchanan, M.V.

1987-01-01

A survey of analytical methods for the determination of chemical agents GB, VX, and HD was made. HD, or mustard, is bis-2-chloroethyl sulfide, and is classified as a blishtering agent. GB, or Sarin, is isopropyl methyl phosphonofluoridate. VX is O-ethyl-S-(2-diisopropylaminoethyl)methylphosphonothioate. Both GB and VX are nerve agents. Included were methods capable of providing for monitoring requirements at the time weighted average (TWA) and allowable stack concentration (ASC) levels in near real time. A review of the currently used automatic continuous air monitoring system (ACAMS) was made as well as a review of the recently developed atmospheric pressure ionization mass spectrometry (APIMS). This report recommends a strategy for research and development for near term and medium term improvement of the overall monitoring program. 12 refs., 1 tab.

A single sex pheromone receptor determines chemical response specificity of sexual behavior in the silkmoth Bombyx mori.

Science.gov (United States)

Sakurai, Takeshi; Mitsuno, Hidefumi; Haupt, Stephan Shuichi; Uchino, Keiro; Yokohari, Fumio; Nishioka, Takaaki; Kobayashi, Isao; Sezutsu, Hideki; Tamura, Toshiki; Kanzaki, Ryohei

2011-06-01

In insects and other animals, intraspecific communication between individuals of the opposite sex is mediated in part by chemical signals called sex pheromones. In most moth species, male moths rely heavily on species-specific sex pheromones emitted by female moths to identify and orient towards an appropriate mating partner among a large number of sympatric insect species. The silkmoth, Bombyx mori, utilizes the simplest possible pheromone system, in which a single pheromone component, (E, Z)-10,12-hexadecadienol (bombykol), is sufficient to elicit full sexual behavior. We have previously shown that the sex pheromone receptor BmOR1 mediates specific detection of bombykol in the antennae of male silkmoths. However, it is unclear whether the sex pheromone receptor is the minimally sufficient determination factor that triggers initiation of orientation behavior towards a potential mate. Using transgenic silkmoths expressing the sex pheromone receptor PxOR1 of the diamondback moth Plutella xylostella in BmOR1-expressing neurons, we show that the selectivity of the sex pheromone receptor determines the chemical response specificity of sexual behavior in the silkmoth. Bombykol receptor neurons expressing PxOR1 responded to its specific ligand, (Z)-11-hexadecenal (Z11-16:Ald), in a dose-dependent manner. Male moths expressing PxOR1 exhibited typical pheromone orientation behavior and copulation attempts in response to Z11-16:Ald and to females of P. xylostella. Transformation of the bombykol receptor neurons had no effect on their projections in the antennal lobe. These results indicate that activation of bombykol receptor neurons alone is sufficient to trigger full sexual behavior. Thus, a single gene defines behavioral selectivity in sex pheromone communication in the silkmoth. Our findings show that a single molecular determinant can not only function as a modulator of behavior but also as an all-or-nothing initiator of a complex species-specific behavioral sequence.

A single sex pheromone receptor determines chemical response specificity of sexual behavior in the silkmoth Bombyx mori.

Directory of Open Access Journals (Sweden)

Takeshi Sakurai

2011-06-01

Full Text Available In insects and other animals, intraspecific communication between individuals of the opposite sex is mediated in part by chemical signals called sex pheromones. In most moth species, male moths rely heavily on species-specific sex pheromones emitted by female moths to identify and orient towards an appropriate mating partner among a large number of sympatric insect species. The silkmoth, Bombyx mori, utilizes the simplest possible pheromone system, in which a single pheromone component, (E, Z-10,12-hexadecadienol (bombykol, is sufficient to elicit full sexual behavior. We have previously shown that the sex pheromone receptor BmOR1 mediates specific detection of bombykol in the antennae of male silkmoths. However, it is unclear whether the sex pheromone receptor is the minimally sufficient determination factor that triggers initiation of orientation behavior towards a potential mate. Using transgenic silkmoths expressing the sex pheromone receptor PxOR1 of the diamondback moth Plutella xylostella in BmOR1-expressing neurons, we show that the selectivity of the sex pheromone receptor determines the chemical response specificity of sexual behavior in the silkmoth. Bombykol receptor neurons expressing PxOR1 responded to its specific ligand, (Z-11-hexadecenal (Z11-16:Ald, in a dose-dependent manner. Male moths expressing PxOR1 exhibited typical pheromone orientation behavior and copulation attempts in response to Z11-16:Ald and to females of P. xylostella. Transformation of the bombykol receptor neurons had no effect on their projections in the antennal lobe. These results indicate that activation of bombykol receptor neurons alone is sufficient to trigger full sexual behavior. Thus, a single gene defines behavioral selectivity in sex pheromone communication in the silkmoth. Our findings show that a single molecular determinant can not only function as a modulator of behavior but also as an all-or-nothing initiator of a complex species

Chemical warfare agents identification by thermal neutron detection

International Nuclear Information System (INIS)

Liu Boxue; Ai Xianyun; Tan Daoyuan; Zhang Dianqin

2000-01-01

The hydrogen concentration determination by thermal neutron detection is a non-destructive, fast and effective method to identify chemical warfare agents and TNT that contain different hydrogen fraction. When an isotropic neutron source is used to irradiate chemical ammunition, hydrogen atoms of the agent inside shell act as a moderator and slow down neutrons. The number of induced thermal neutrons depends mainly upon hydrogen content of the agent. Therefore measurement of thermal neutron influence can be used to determine hydrogen atom concentration, thereby to determine the chemical warfare agents. Under a certain geometry three calibration curves of count rate against hydrogen concentration were measured. According to the calibration curves, response of a chemical agent or TNT could be calculated. Differences of count rate among chemical agents and TNT for each kind of shells is greater than five times of standard deviations of count rate for any agent, so chemical agents or TNT could be identified correctly. Meanwhile, blast tube or liquid level of chemical warfare agent could affect the response of thermal neutron count rate, and thereby the result of identification. (author)

Chemical sensors technology development planning workshop

Energy Technology Data Exchange (ETDEWEB)

Bastiaans, G.J.; Haas, W.J. Jr.; Junk, G.A. [eds.

1993-03-01

The workshop participants were asked to: (1) Assess the current capabilities of chemical sensor technologies for addressing US Department of Energy (DOE) Environmental Restoration and Waste Management (EM) needs; (2) Estimate potential near term (one to two years) and intermediate term (three to five years) capabilities for addressing those needs; and (3) Generate a ranked list of specific recommendations on what research and development (R&D) should be funded to provide the necessary capabilities. The needs were described in terms of two pervasive EM problems, the in situ determination of chlorinated volatile organic compounds (VOCs), and selected metals in various matrices at DOE sites. The R&D recommendations were to be ranked according to the estimated likelihood that the product technology will be ready for application within the time frame it is needed and the estimated return on investment. The principal conclusions and recommendations of the workshop are as follows: Chemical sensors capable of in situ determinations can significantly reduce analytical costs; Chemical sensors have been developed for certain VOCs in gases and water but none are currently capable of in situ determination of VOCs in soils; The DOE need for in situ determination of metals in soils cannot be addressed with existing chemical sensors and the prospects for their availability in three to five years are uncertain; Adaptation, if necessary, and field application of laboratory analytical instruments and those few chemical sensors that are already in field testing is the best approach for the near term; The chemical sensor technology development plan should include balanced support for near- and intermediate-term efforts.

Precise Chemical Analyses of Planetary Surfaces

Science.gov (United States)

Kring, David; Schweitzer, Jeffrey; Meyer, Charles; Trombka, Jacob; Freund, Friedemann; Economou, Thanasis; Yen, Albert; Kim, Soon Sam; Treiman, Allan H.; Blake, David;

Determination of the chemical properties of residues retained in individual cloud droplets by XRF microprobe at SPring-8

International Nuclear Information System (INIS)

Ma, C.-J.; Tohno, S.; Kasahara, M.; Hayakawa, S.

2004-01-01

To determine the chemical properties of residue retained in individual cloud droplets is primarily important for the understanding of rainout mechanism and aerosol modification in droplet. The sampling of individual cloud droplets were carried out on the summit of Mt. Taiko located in Tango peninsula, Kyoto prefecture, during Asian dust storm event in March of 2002. XRF microprobe system equipped at SPring-8, BL-37XU was applied to the subsequent quantification analysis of ultra trace elements in residues of individual cloud droplets. It was possible to form the replicas of separated individual cloud droplets on the thin collodion film. The two dimensional XRF maps for the residues in individual cloud droplets were clearly drawn by scanning of micro-beam. Also, XRF spectra of trace elements in residues were well resolved. From the XRF spectra for individual residues, the chemical mixed state of residues could be assumed. The chemical forms of Fe (Fe +++ ) and Zn (Zn + ) could be clearly characterized by their K-edge micro-XANES spectra. By comparison of Z/Si mass ratios of residues in cloud droplets and those of the original sands collected in desert areas in China, the aging of ambient dust particles and their in cloud modification were indirectly assumed

Near infrared spectroscopy for determination of various physical, chemical and biochemical properties in Mediterranean soils.

Science.gov (United States)

Zornoza, R; Guerrero, C; Mataix-Solera, J; Scow, K M; Arcenegui, V; Mataix-Beneyto, J

2008-07-01

The potential of near infrared (NIR) reflectance spectroscopy to predict various physical, chemical and biochemical properties in Mediterranean soils from SE Spain was evaluated. Soil samples (n=393) were obtained by sampling thirteen locations during three years (2003-2005 period). These samples had a wide range of soil characteristics due to variations in land use, vegetation cover and specific climatic conditions. Biochemical properties also included microbial biomarkers based on phospholipid fatty acids (PLFA). Partial least squares (PLS) regression with cross validation was used to establish relationships between the NIR spectra and the reference data from physical, chemical and biochemical analyses. Based on the values of coefficient of determination (r(2)) and the ratio of standard deviation of validation set to root mean square error of cross validation (RPD), predicted results were evaluated as excellent (r(2)>0.90 and RPD>3) for soil organic carbon, Kjeldahl nitrogen, soil moisture, cation exchange capacity, microbial biomass carbon, basal soil respiration, acid phosphatase activity, β-glucosidase activity and PLFA biomarkers for total bacteria, Gram positive bacteria, actinomycetes, vesicular-arbuscular mycorrhizal fungi and total PLFA biomass. Good predictions (0.81fungi were not accurate enough to satisfactorily estimate these variables, only permitting approximate predictions (0.66chemical and biochemical soil properties for Mediterranean soils, including variables related to the composition of the soil microbial community composition.

Determination of contact maps in proteins: A combination of structural and chemical approaches

Energy Technology Data Exchange (ETDEWEB)

Wołek, Karol; Cieplak, Marek, E-mail: mc@ifpan.edu.pl [Institute of Physics, Polish Academy of Science, Al. Lotników 32/46, 02-668 Warsaw (Poland); Gómez-Sicilia, Àngel [Instituto Cajal, Consejo Superior de Investigaciones Cientificas (CSIC), Av. Doctor Arce, 37, 28002 Madrid (Spain); Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), C/Faraday 9, 28049 Cantoblanco (Madrid) (Spain)

2015-12-28

Contact map selection is a crucial step in structure-based molecular dynamics modelling of proteins. The map can be determined in many different ways. We focus on the methods in which residues are represented as clusters of effective spheres. One contact map, denoted as overlap (OV), is based on the overlap of such spheres. Another contact map, named Contacts of Structural Units (CSU), involves the geometry in a different way and, in addition, brings chemical considerations into account. We develop a variant of the CSU approach in which we also incorporate Coulombic effects such as formation of the ionic bridges and destabilization of possible links through repulsion. In this way, the most essential and well defined contacts are identified. The resulting residue-residue contact map, dubbed repulsive CSU (rCSU), is more sound in its physico-chemical justification than CSU. It also provides a clear prescription for validity of an inter-residual contact: the number of attractive atomic contacts should be larger than the number of repulsive ones — a feature that is not present in CSU. However, both of these maps do not correlate well with the experimental data on protein stretching. Thus, we propose to use rCSU together with the OV map. We find that the combined map, denoted as OV+rCSU, performs better than OV. In most situations, OV and OV+rCSU yield comparable folding properties but for some proteins rCSU provides contacts which improve folding in a substantial way. We discuss the likely residue-specificity of the rCSU contacts. Finally, we make comparisons to the recently proposed shadow contact map, which is derived from different principles.

Determination of mustard and lewisite related compounds in abandoned chemical weapons (Yellow shells) from sources in China and Japan.

Science.gov (United States)

Hanaoka, Shigeyuki; Nomura, Koji; Wada, Takeharu

2006-01-06

Knowledge of the states of the contents in chemical munitions that Japanese Imperial Forces abandoned at the end of World War II in Japan and China is gravely lacking. To unearth and recover these chemical weapons and detoxify the contents safely, it is essential to establish analytical procedures to definitely determine the CWA contents. We established such a procedure and applied it to the analysis of chemicals in the abandoned shells. Yellow shells are known to contain sulfur mustard, lewisite, or a mixture of both. Lewisite was analyzed without thiol derivatization, because it and its decomposition products yield the same substances in the derivatization. Analysis using our new procedure showed that both mustard and lewisite remained as the major components after the long abandonment of nearly 60 years. The content of mustard was 43% and that of lewisite 55%. The viscous material found was suggested to be mostly oligomers of mustard. Comparison of the components in the Yellow agents with mustard recovered in both Japan and China showed a difference in the impurities between the CWAs produced by the former Imperial navy and those by the former Imperial army.

Surface chemical reactions probed with scanning force microscopy

NARCIS (Netherlands)

Werts, M.P L; van der Vegte, E.W.; Hadziioannou, G

1997-01-01

In this letter we report the study of surface chemical reactions with scanning force microscopy (SFM) with chemical specificity. Using chemically modified SFM probes, we can determine the local surface reaction conversion during a chemical surface modification. The adhesion forces between a

Chemical sensors technology development planning workshop

International Nuclear Information System (INIS)

Bastiaans, G.J.; Haas, W.J. Jr.; Junk, G.A.

1993-03-01

The workshop participants were asked to: (1) Assess the current capabilities of chemical sensor technologies for addressing US Department of Energy (DOE) Environmental Restoration and Waste Management (EM) needs; (2) Estimate potential near term (one to two years) and intermediate term (three to five years) capabilities for addressing those needs; and (3) Generate a ranked list of specific recommendations on what research and development (R ampersand D) should be funded to provide the necessary capabilities. The needs were described in terms of two pervasive EM problems, the in situ determination of chlorinated volatile organic compounds (VOCs), and selected metals in various matrices at DOE sites. The R ampersand D recommendations were to be ranked according to the estimated likelihood that the product technology will be ready for application within the time frame it is needed and the estimated return on investment. The principal conclusions and recommendations of the workshop are as follows: Chemical sensors capable of in situ determinations can significantly reduce analytical costs; Chemical sensors have been developed for certain VOCs in gases and water but none are currently capable of in situ determination of VOCs in soils; The DOE need for in situ determination of metals in soils cannot be addressed with existing chemical sensors and the prospects for their availability in three to five years are uncertain; Adaptation, if necessary, and field application of laboratory analytical instruments and those few chemical sensors that are already in field testing is the best approach for the near term; The chemical sensor technology development plan should include balanced support for near- and intermediate-term efforts

Chemical history with a nuclear microprobe

International Nuclear Information System (INIS)

Maggiore, C.J.; Benjamin, T.M.; Burnett, D.S.; Hyde, P.J.; Rogers, P.S.Z.; Srinivasan, S.; Tesmer, T.; Woolum, D.S.

1983-01-01

A nuclear microprobe cannot give direct information on the chemical state of an element, but the spatial distribution of elements in a specimen is often determined by the chemical history of the sample. Fuel cells and minerals are examples of complex systems whose elemental distributions are determined by past chemical history. The distribution of catalyst in used fuel cell electrodes provides direct information on the chemical stability of dispersed catalysts under operating conditions. The authors have used spatially resolved Rutherford backscattering to measure the migration of platinum and vanadium from intermetallic catalysts and to determine their suitability for use under the extreme operating conditions found in phosphoric acid fuel cells. Geologic materials are complex, heterogeneous samples with small mineral grains. The trace element distribution within the individual mineral grains and between different mineral phases is sensitive to the details of the mineral formation and history. The spatial resolution and sub-100-ppm sensitivity available with a nuclear microprobe open up several new classes of experiments to the geochemist. Geochemistry and electrochemistry are two areas proving particularly fruitful for application of the nuclear microprobe

Chemical shift homology in proteins

International Nuclear Information System (INIS)

Potts, Barbara C.M.; Chazin, Walter J.

1998-01-01

The degree of chemical shift similarity for homologous proteins has been determined from a chemical shift database of over 50 proteins representing a variety of families and folds, and spanning a wide range of sequence homologies. After sequence alignment, the similarity of the secondary chemical shifts of C α protons was examined as a function of amino acid sequence identity for 37 pairs of structurally homologous proteins. A correlation between sequence identity and secondary chemical shift rmsd was observed. Important insights are provided by examining the sequence identity of homologous proteins versus percentage of secondary chemical shifts that fall within 0.1 and 0.3 ppm thresholds. These results begin to establish practical guidelines for the extent of chemical shift similarity to expect among structurally homologous proteins

A Quantitative Method to Determine Preservice Chemistry Teachers' Perceptions of Chemical Representations

Science.gov (United States)

Head, M. L.; Yoder, K.; Genton, E.; Sumperl, J.

2017-01-01

Chemical representations serve as a cornerstone to guide the teaching of chemistry concepts. The influence that a chemical representation has on instruction is largely dependent on how well the viewer interprets the information in the representation. Teachers serve as a guide to the students as they point out and make connections between the…

[Assessment of the relationship of properties of chemical compounds and their toxicity to a unified hygienic standardization for chemicals].

Science.gov (United States)

Trushkov, V F; Perminov, K A; Sapozhnikova, V V; Ignatova, O L

2013-01-01

The connection of thermodynamic properties and parameters of toxicity of chemical substances was determined. Obtained data are used for the evaluation of toxicity and hygienic rate setting of chemical compounds. The relationship between enthalpy and toxicity of chemical compounds has been established. Orthogonal planning of the experiment was carried out in the course of the investigations. Equation of unified hygienic rate setting in combined, complex, conjunct influence on the organism is presented. Prospects of determination of toxicity and methodology of unified hygienic rate setting in combined, complex, conjunct influence on the organism are presented

Foundational aspects of the concept of chemical activity

DEFF Research Database (Denmark)

Mayer, Philipp

2015-01-01

The chemical activity of an organic chemical quantifies its potential for spontaneous physicochemical processes, such as diffusion, sorption, and partitioning. For instance, the chemical activity of a sediment contaminant determines its equilibrium partitioning concentration in sediment-dwelling ...

Model nebulae and determination of the chemical composition of the Magellanic Clouds.

Science.gov (United States)

Aller, L H; Keyes, C D; Czyzak, S J

1979-04-01

An analysis of previously presented photoelectric spectrophotometry of HII regions (emission-line diffuse nebulae) in the two Magellanic Clouds is carried out with the aid of theoretical nebular models, which are used primarily as interpolation devices. Some advantages and limitations of such theoretical models are discussed. A comparison of the finally obtained chemical compositions with those found by other observers shows generally a good agreement, suggesting that it is possible to obtain reliable chemical compositions from low excitation gaseous nebulae in our own galaxy as well as in distant stellar systems.

Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory

Science.gov (United States)

Jia, Weile; Lin, Lin

2017-10-01

Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper, we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

Determination of uranium in the red blood cells of the workers in the chemical processing of uranium ore

International Nuclear Information System (INIS)

Nosek, J.; Simkova, M.; Kukula, F.; Musil, K.

1975-04-01

Neutron activation analysis was used in determining uranium in the venous blood erythrocytes of controls and of workers exposed to occupational hazards in a uranium chemical treatment plant. While 4.1 +- 2.6 ppb of uranium was found in dry matter of the erythrocytes in controls, 6.5 +- 2.1 ppb of uranium was ascertained in dry matter of the erythrocytes in occupationally exposed workers of a wet preparation plant, and 37.2 +- 20.2 ppb of uranium in the erythrocytes in workers of a dry cleaning plant. (author)

Tritium distributing in stainless steel determined by chemical etchin

International Nuclear Information System (INIS)

Xiong Yifu; Luo Deli; Chen Changan; Chen Shicun; Jing Wenyong

2009-01-01

The depth distribution of tritium in stainless steel was measured by chemical etching. The results show that the method can more quantitatively evaluate the tritium distributing in stainless steel. The maximum amount of tritium which distributed in crystal lattice of stainless steel is limitted by its solubility at room temperature. The other form of tritium in stainless steel is gaseous tritium that are trapped by defects, impurities, fractures, etc. within it. The gaseous tritium is several times more than the solid-dissolved tritium. (authors)

Precession technique and electron diffractometry as new tools for crystal structure analysis and chemical bonding determination

International Nuclear Information System (INIS)

Avilov, A.; Kuligin, K.; Nicolopoulos, S.; Nickolskiy, M.; Boulahya, K.; Portillo, J.; Lepeshov, G.; Sobolev, B.; Collette, J.P.; Martin, N.; Robins, A.C.; Fischione, P.

2007-01-01

We have developed a new fast electron diffractometer working with high dynamic range and linearity for crystal structure determinations. Electron diffraction (ED) patterns can be scanned serially in front of a Faraday cage detector; the total measurement time for several hundred ED reflections can be tens of seconds having high statistical accuracy for all measured intensities (1-2%). This new tool can be installed to any type of TEM without any column modification and is linked to a specially developed electron beam precession 'Spinning Star' system. Precession of the electron beam (Vincent-Midgley technique) reduces dynamical effects allowing also use of accurate intensities for crystal structure analysis. We describe the technical characteristics of this new tool together with the first experimental results. Accurate measurement of electron diffraction intensities by electron diffractometer opens new possibilities not only for revealing unknown structures, but also for electrostatic potential determination and chemical bonding investigation. As an example, we present detailed atomic bonding information of CaF 2 as revealed for the first time by precise electron diffractometry

Synthesis, three-dimensional structure, conformation and correct chemical shift assignment determination of pharmaceutical molecules by NMR and molecular modeling

Energy Technology Data Exchange (ETDEWEB)

Azeredo, Sirlene O.F. de; Sales, Edijane M.; Figueroa-Villar, José D., E-mail: jdfv2009@gmail.com [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil). Grupo de Ressonância Magnética Nuclear e Química Medicinal

2017-07-01

This work includes the synthesis of phenanthrenequinone guanylhydrazone and phenanthro[9,10-e][1,2,4]triazin-3-amine to be tested as intercalate with DNA for treatment of cancer. The other synthesized product, 2-[(4-chlorophenylamino)methylene]malononitrile, was designed for future determination of its activity against leishmaniasis. A common problem about some articles on the literature is that some previously published compounds display error of their molecular structures. In this article it is shown the application of several procedures of nuclear magnetic resonance (NMR) to determine the complete molecular structure and the non questionable chemical shift assignment of the synthesized compounds, and also their analysis by molecular modeling to confirm the NMR results. To determine the capacity of pharmacological compounds to interact with biological targets is determined by docking. This work is to motivate the application of NMR and molecular modeling on organic synthesis, being a process that is very important for the study of the prepared compounds as interactions with biological targets by NMR. (author)

Synthesis, three-dimensional structure, conformation and correct chemical shift assignment determination of pharmaceutical molecules by NMR and molecular modeling

International Nuclear Information System (INIS)

Azeredo, Sirlene O.F. de; Sales, Edijane M.; Figueroa-Villar, José D.

2017-01-01

This work includes the synthesis of phenanthrenequinone guanylhydrazone and phenanthro[9,10-e][1,2,4]triazin-3-amine to be tested as intercalate with DNA for treatment of cancer. The other synthesized product, 2-[(4-chlorophenylamino)methylene]malononitrile, was designed for future determination of its activity against leishmaniasis. A common problem about some articles on the literature is that some previously published compounds display error of their molecular structures. In this article it is shown the application of several procedures of nuclear magnetic resonance (NMR) to determine the complete molecular structure and the non questionable chemical shift assignment of the synthesized compounds, and also their analysis by molecular modeling to confirm the NMR results. To determine the capacity of pharmacological compounds to interact with biological targets is determined by docking. This work is to motivate the application of NMR and molecular modeling on organic synthesis, being a process that is very important for the study of the prepared compounds as interactions with biological targets by NMR. (author)

Determining airborne concentrations of spatial repellent chemicals in mosquito behavior assay systems.

Directory of Open Access Journals (Sweden)

Nicholas J Martin

Full Text Available BACKGROUND: Mosquito behavior assays have been used to evaluate the efficacy of vector control interventions to include spatial repellents (SR. Current analytical methods are not optimized to determine short duration concentrations of SR active ingredients (AI in air spaces during entomological evaluations. The aim of this study was to expand on our previous research to further validate a novel air sampling method to detect and quantitate airborne concentrations of a SR under laboratory and field conditions. METHODOLOGY/PRINCIPAL FINDINGS: A thermal desorption (TD gas chromatography-mass spectrometry (GC-MS method was used to determine the amount of dichlorodiphenyltrichloroethane (DDT in samples of air. During laboratory experiments, 1 L volumes of air were collected over 10 min intervals from a three-chamber mosquito behavior assay system. Significantly higher levels of airborne DDT were measured in the chamber containing textiles treated with DDT compared to chambers free of AI. In the field, 57 samples of air were collected from experimental huts with and without DDT for onsite analysis. Airborne DDT was detected in samples collected from treated huts. The mean DDT air concentrations in these two huts over a period of four days with variable ambient temperature were 0.74 µg/m(3 (n = 17; SD = 0.45 and 1.42 µg/m(3 (n = 30; SD = 0.96. CONCLUSIONS/SIGNIFICANCE: The results from laboratory experiments confirmed that significantly different DDT exposure conditions existed in the three-chamber system establishing a chemical gradient to evaluate mosquito deterrency. The TD GC-MS method addresses a need to measure short-term (<1 h SR concentrations in small volume (<100 L samples of air and should be considered for standard evaluation of airborne AI levels in mosquito behavior assay systems. Future studies include the use of TD GC-MS to measure other semi-volatile vector control compounds.

Nuclear and chemical data

Energy Technology Data Exchange (ETDEWEB)

De Regge, P.

1978-12-15

The neutron fission yield and other nuclear and chemical data of interest to the nuclear applications of mass spectrometry (mainly in the field of burnup determination) are examined. The performance of those determinations and the achievable accuracy should match the needs of the users of the data produced. 3 figures, 2 tables. (RWR)

Computational chemical imaging for cardiovascular pathology: chemical microscopic imaging accurately determines cardiac transplant rejection.

Directory of Open Access Journals (Sweden)

Saumya Tiwari

Full Text Available Rejection is a common problem after cardiac transplants leading to significant number of adverse events and deaths, particularly in the first year of transplantation. The gold standard to identify rejection is endomyocardial biopsy. This technique is complex, cumbersome and requires a lot of expertise in the correct interpretation of stained biopsy sections. Traditional histopathology cannot be used actively or quickly during cardiac interventions or surgery. Our objective was to develop a stain-less approach using an emerging technology, Fourier transform infrared (FT-IR spectroscopic imaging to identify different components of cardiac tissue by their chemical and molecular basis aided by computer recognition, rather than by visual examination using optical microscopy. We studied this technique in assessment of cardiac transplant rejection to evaluate efficacy in an example of complex cardiovascular pathology. We recorded data from human cardiac transplant patients' biopsies, used a Bayesian classification protocol and developed a visualization scheme to observe chemical differences without the need of stains or human supervision. Using receiver operating characteristic curves, we observed probabilities of detection greater than 95% for four out of five histological classes at 10% probability of false alarm at the cellular level while correctly identifying samples with the hallmarks of the immune response in all cases. The efficacy of manual examination can be significantly increased by observing the inherent biochemical changes in tissues, which enables us to achieve greater diagnostic confidence in an automated, label-free manner. We developed a computational pathology system that gives high contrast images and seems superior to traditional staining procedures. This study is a prelude to the development of real time in situ imaging systems, which can assist interventionists and surgeons actively during procedures.

Colorimetric sensor array for determination and identification of toxic industrial chemicals.

Science.gov (United States)

Feng, Liang; Musto, Christopher J; Kemling, Jonathan W; Lim, Sung H; Zhong, Wenxuan; Suslick, Kenneth S

2010-11-15

A low-cost yet highly sensitive colorimetric sensor array for the detection and identification of toxic industrial chemicals (TICs) has been developed. The sensor consists of a disposable array of cross-responsive nanoporous pigments whose colors are changed by diverse chemical interactions with analytes. Clear differentiation among 20 different TICs has been easily achieved at both their IDLH (immediately dangerous to life or health) concentration within 2 min of exposure and PEL (permissible exposure limit) concentration within 5 min of exposure with no errors or misclassifications. Detection limits are generally well below the PEL (in most cases below 5% of PEL) and are typically in the low ppb range. The colorimetric sensor array is not responsive to changes in humidity or temperature over a substantial range. The printed arrays show excellent batch to batch reproducibility and long shelf life (greater than 3 months).

Developing ecotoxicological testing procedures for chemicals in soils

International Nuclear Information System (INIS)

Scheunert, I.; Doerfler, U.; Quast, I.; Schroll, R.; Topp, E.; Wolf, E.; Korte, F.

1989-01-01

The work deals with the determination of adsorption coefficients of volatile environmental chemicals, of volatilization rates (example: Lindane), biomineralization rates, total balances, and uptake into higher plants, further with the correlation of the uptake of chemicals by plants with physico-chemical and structural mass characteristics, and field experiments with lysimeters using labelled carbon 14 compounds for validation of the results obtained under laboratory conditions. - The devices for determination of adsorption coefficients and of volatilization rates of chemicals from soil and plant surfaces, as well as the closed experimental setup with controlled air throughput for billing labelled carbon 14 chemicals in the soil/plant system are described. The mass balance of the adsorption of volatile labelled carbon 14 chemicals in an alfisol, the volatilization of Lindane from the surface of a sandy soil, the concentration of hexachlorbenzene in different parts of plants, the uptake pathways of organic chemicals in higher plants and their corelation with mass properties, as well as the correlation between bioconcentration factors of chemicals in barley after application into the soil and physico-chemical and structural mass parameters are investigated and indicated in the form of tables and diagrams. (HK) [de

Chemical contaminants in water and sediment near fish nesting sites in the Potomac River basin: determining potential exposures to smallmouth bass (Micropterus dolomieu).

Science.gov (United States)

Kolpin, Dana W; Blazer, Vicki S; Gray, James L; Focazio, Michael J; Young, John A; Alvarez, David A; Iwanowicz, Luke R; Foreman, William T; Furlong, Edward T; Speiran, Gary K; Zaugg, Steven D; Hubbard, Laura E; Meyer, Michael T; Sandstrom, Mark W; Barber, Larry B

2013-01-15

The Potomac River basin is an area where a high prevalence of abnormalities such as testicular oocytes (TO), skin lesions, and mortality has been observed in smallmouth bass (SMB, Micropterus dolomieu). Previous research documented a variety of chemicals in regional streams, implicating chemical exposure as one plausible explanation for these biological effects. Six stream sites in the Potomac basin (and one out-of-basin reference site) were sampled to provide an assessment of chemicals in these streams. Potential early life-stage exposure to chemicals detected was assessed by collecting samples in and around SMB nesting areas. Target chemicals included those known to be associated with important agricultural and municipal wastewater sources in the Potomac basin. The prevalence and severity of TO in SMB were also measured to determine potential relations between chemistry and biological effects. A total of 39 chemicals were detected at least once in the discrete-water samples, with atrazine, caffeine, deethylatrazine, simazine, and iso-chlorotetracycline being most frequently detected. Of the most frequently detected chemicals, only caffeine was detected in water from the reference site. No biogenic hormones/sterols were detected in the discrete-water samples. In contrast, 100 chemicals (including six biogenic hormones/sterols) were found in a least one passive-water sample, with 25 being detected at all such samples. In addition, 46 chemicals (including seven biogenic hormones/sterols) were found in the bed-sediment samples, with caffeine, cholesterol, indole, para-cresol, and sitosterol detected in all such samples. The number of herbicides detected in discrete-water samples per site had a significant positive relation to TO(rank) (a nonparametric indicator of TO), with significant positive relations between TO(rank) and atrazine concentrations in discrete-water samples and to total hormone/sterol concentration in bed-sediment samples. Such significant

Chemical evolution of galaxies

CERN Document Server

Matteucci, Francesca

2012-01-01

The term “chemical evolution of galaxies” refers to the evolution of abundances of chemical species in galaxies, which is due to nuclear processes occurring in stars and to gas flows into and out of galaxies. This book deals with the chemical evolution of galaxies of all morphological types (ellipticals, spirals and irregulars) and stresses the importance of the star formation histories in determining the properties of stellar populations in different galaxies. The topic is approached in a didactical and logical manner via galaxy evolution models which are compared with observational results obtained in the last two decades: The reader is given an introduction to the concept of chemical abundances and learns about the main stellar populations in our Galaxy as well as about the classification of galaxy types and their main observables. In the core of the book, the construction and solution of chemical evolution models are discussed in detail, followed by descriptions and interpretations of observations of ...

Optimizing the dosage of stabilizing chemical

OpenAIRE

Harjula, Tomi

2013-01-01

A chemical company provides chemical treatment at customer mill in paper industry. This thesis work was done to determine the optimum dosage of stabilizing chemical. The theoretical framework explains the basics of paper brightness and bleaching and how these topics are connected to each other. The knowledge gained is very valuable and can possibly be used in the future in other similar applications as well. This thesis work contains confidential back ground information. Key ...

Revisiting the chemical reactivity indices as the state function derivatives. The role of classical chemical hardness

Energy Technology Data Exchange (ETDEWEB)

Malek, Ali; Balawender, Robert, E-mail: rbalawender@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, PL-01-224 Warsaw (Poland)

2015-02-07

The chemical reactivity indices as the equilibrium state-function derivatives are revisited. They are obtained in terms of the central moments (fluctuation formulas). To analyze the role of the chemical hardness introduced by Pearson [J. Am. Chem. Soc. 105, 7512 (1983)], the relations between the derivatives up to the third-order and the central moments are obtained. As shown, the chemical hardness and the chemical potential are really the principal indices of the chemical reactivity theory. It is clear from the results presented here that the chemical hardness is not the derivative of the Mulliken chemical potential (this means also not the second derivative of the energy at zero-temperature limit). The conventional quadratic dependence of energy, observed at finite temperature, reduces to linear dependence on the electron number at zero-temperature limit. The chemical hardness plays a double role in the admixture of ionic states to the reference neutral state energy: it determines the amplitude of the admixture and regulates the damping of its thermal factor.

Revisiting the chemical reactivity indices as the state function derivatives. The role of classical chemical hardness

International Nuclear Information System (INIS)

Malek, Ali; Balawender, Robert

2015-01-01

The chemical reactivity indices as the equilibrium state-function derivatives are revisited. They are obtained in terms of the central moments (fluctuation formulas). To analyze the role of the chemical hardness introduced by Pearson [J. Am. Chem. Soc. 105, 7512 (1983)], the relations between the derivatives up to the third-order and the central moments are obtained. As shown, the chemical hardness and the chemical potential are really the principal indices of the chemical reactivity theory. It is clear from the results presented here that the chemical hardness is not the derivative of the Mulliken chemical potential (this means also not the second derivative of the energy at zero-temperature limit). The conventional quadratic dependence of energy, observed at finite temperature, reduces to linear dependence on the electron number at zero-temperature limit. The chemical hardness plays a double role in the admixture of ionic states to the reference neutral state energy: it determines the amplitude of the admixture and regulates the damping of its thermal factor

Analysis of determination modalities concerning the exposure and emission limits values of chemical and radioactive substances; Analyse des modalites de fixation des valeurs limites d'exposition et d'emission pour les substances chimiques et radioactives

Energy Technology Data Exchange (ETDEWEB)

Schieber, C.; Schneider, T

2002-08-01

This document presents the generic approach adopted by various organizations for the determination of the public exposure limits values to chemical and radioactive substances and for the determination of limits values of chemical products emissions by some installations. (A.L.B.)

A ω-mercaptoundecylphosphonic acid chemically modified gold electrode for uranium determination in waters in presence of organic matter.

Science.gov (United States)

Merli, Daniele; Protti, Stefano; Labò, Matteo; Pesavento, Maria; Profumo, Antonella

2016-05-01

A chemically modified electrode (CME) on a gold surface assembled with a ω-phosphonic acid terminated thiol was investigated for its capability to complex uranyl ions. The electrode, characterized by electrochemical techniques, demonstrated to be effective for the determination of uranyl at sub-μgL(-1) level by differential pulse adsorptive stripping voltammetry (DPAdSV) in environmental waters, also in presence of humic matter and other potential chelating agents. The accuracy of the measurements was investigated employing as model probes ligands of different complexing capability (humic acids and EDTA). Copyright © 2016 Elsevier B.V. All rights reserved.

Using chemical shift perturbation to characterise ligand binding.

Science.gov (United States)

Williamson, Mike P

2013-08-01

Chemical shift perturbation (CSP, chemical shift mapping or complexation-induced changes in chemical shift, CIS) follows changes in the chemical shifts of a protein when a ligand is added, and uses these to determine the location of the binding site, the affinity of the ligand, and/or possibly the structure of the complex. A key factor in determining the appearance of spectra during a titration is the exchange rate between free and bound, or more specifically the off-rate koff. When koff is greater than the chemical shift difference between free and bound, which typically equates to an affinity Kd weaker than about 3μM, then exchange is fast on the chemical shift timescale. Under these circumstances, the observed shift is the population-weighted average of free and bound, which allows Kd to be determined from measurement of peak positions, provided the measurements are made appropriately. (1)H shifts are influenced to a large extent by through-space interactions, whereas (13)Cα and (13)Cβ shifts are influenced more by through-bond effects. (15)N and (13)C' shifts are influenced both by through-bond and by through-space (hydrogen bonding) interactions. For determining the location of a bound ligand on the basis of shift change, the most appropriate method is therefore usually to measure (15)N HSQC spectra, calculate the geometrical distance moved by the peak, weighting (15)N shifts by a factor of about 0.14 compared to (1)H shifts, and select those residues for which the weighted shift change is larger than the standard deviation of the shift for all residues. Other methods are discussed, in particular the measurement of (13)CH3 signals. Slow to intermediate exchange rates lead to line broadening, and make Kd values very difficult to obtain. There is no good way to distinguish changes in chemical shift due to direct binding of the ligand from changes in chemical shift due to allosteric change. Ligand binding at multiple sites can often be characterised, by

Biomass pyrolysis for chemicals

Energy Technology Data Exchange (ETDEWEB)

De Wild, P.

2011-07-15

The problems associated with the use of fossil fuels demand a transition to renewable sources (sun, wind, water, geothermal, biomass) for materials and energy where biomass provides the only renewable source for chemicals. In a biorefinery, biomass is converted via different technologies into heat, power and various products. Here, pyrolysis (thermal degradation without added oxygen) of lignocellulosic biomass can play an important role, because it leads to an array of useful chemicals. Examples are furfural and acetic acid from hemicellulose, levoglucosan from cellulose and phenols and biochar from lignin. Since the three major biomass polymers hemicellulose, cellulose and lignin possess dissimilar thermal stabilities and reactivities, type and amount of degradation products are tunable by proper selection of the pyrolysis conditions. To determine if step-wise pyrolysis would be suitable for the production of chemicals, staged degasification of lignocellulosic biomass was studied. Due to limited yields, a hot pressurized water pre-treatment (aquathermolysis) followed by pyrolysis was subsequently developed as an improved version of a staged approach to produce furfural and levoglucosan from the carbohydrate fraction of the biomass. Lignin is the only renewable source for aromatic chemicals. Lignocellulosic biorefineries for bio-ethanol produce lignin as major by-product. The pyrolysis of side-streams into valuable chemicals is of prime importance for a profitable biorefinery. To determine the added-value of lignin side-streams other than their use as fuel for power, application research including techno-economic analysis is required. In this thesis, the pyrolytic valorisation of lignin into phenols and biochar was investigated and proven possible.

Influence of citric acid as chemical modifier for lead determination in dietary calcium supplement samples by graphite furnace atomic absorption spectrometry

International Nuclear Information System (INIS)

Cezar Paz de Mattos, Julio; Medeiros Nunes, Adriane; Figueiredo Martins, Ayrton; Luiz Dressler, Valderi; Marlon de Moraes Flores, Erico

2005-01-01

Citric acid was used as a chemical modifier for Pb determination by graphite furnace atomic absorption spectrometry in dietary supplement samples (calcium carbonate, dolomite and oyster shell samples) and its efficiency was compared to the use of palladium. Pyrolysis and atomization curves were established without use of chemical modifier, with the addition of 20, 100 and 200 μg of citric acid, and with 3 μg of palladium. The citric acid modifier made possible the interference-free Pb determination in the presence of high concentrations of Ca and Mg nitrates. Acid sample digestion involving closed vessels (microwave-assisted and conventional heating) and acid attack using polypropylene vessels at room temperature were compared. All digestion procedures presented similar results for calcium carbonate and dolomite samples. However, for oyster shell samples accurate results were obtained only with the use of closed vessel systems. Analyte addition and matrix-matched standards were used for calibration. The characteristic mass for Pb using citric acid and palladium were 16 and 25 pg, respectively. The relative standard deviation (RSD) was always less than 5% when citric acid was used. The relative and absolute limits of detection were 0.02 μg g -1 and 8 pg with citric acid and 0.1 μg g -1 and 44 pg with the Pd modifier, respectively (n = 10, 3σ). The recovery of Pb in spiked calcium supplement samples (10 μg l -1 ) was between 98% and 105%. With the use of 100 μg of citric acid as chemical modifier, problems such as high background absorption and high RSD values were minimized in comparison to the addition of 3 μg of palladium

Interactive Chemical Safety for Sustainablity Toxicity Forecaster Dashboard

Science.gov (United States)

EPA researchers have been using advances in computational toxicology to address lack of data on the thousands of chemicals. EPA released chemical data on 1,800 chemicals. The 1,800 chemicals were screened in more than 800 rapid, automated tests (called high-throughput screening assays) to determine potential human health effects. The data is available through the interactive Chemical Safety for Sustainability Dashboards (iCSS dashboard) and the complete data sets are also available for download.

Factors determining the concentration and chemical composition of particulate matter in the air of selected service facilities

Science.gov (United States)

Rogula-Kopiec, Patrycja; Pastuszka, Józef; Mathews, Barbara; Widziewicz, Kamila

2018-01-01

The link between increased morbidity and mortality and increasing concentrations of particulate matter (PM) resulted in great attention being paid to the presence and physicochemical properties of PM in closed rooms, where people spends most of their time. The least recognized group of such indoor environments are small service facilities. The aim of this study was to identify factors which determine the concentration, chemical composition and sources of PM in the air of different service facilities: restaurant kitchen, printing office and beauty salon. The average PM concentration measured in the kitchen was 5-fold (PM4, particle fraction ≥ 4 μm) and 5.3-fold (TSP, total PM) greater than the average concentration of these PM fractions over the same period. During the same measurement period in the printing office and in the beauty salon, the mean PM concentration was 10- and 4-fold (PM4) and 8- and 3-fold (TSP) respectively greater than the mean concentration of these PM fractions in outdoor air. In both facilities the main source of PM macro-components, especially organic carbon, were chemicals, which are normally used in such places - solvents, varnishes, paints, etc. The influence of some metals inflow from the outdoor air into indoor environment of those facilities was also recognized.

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

Chemical yield determination for 59Ni, 63Ni and 56Fe in low and intermediate nuclear wastes by ICP-AES

International Nuclear Information System (INIS)

Franco, Milton B.; Santos Neto, Francisco C. dos; Reis Junior, Aluisio S.; Temba, Eliane S.C.; Monteiro, Roberto P.G.

2011-01-01

Iron and nickel are constituents of a wide range of metallic materials used in nuclear reactor construction and their corresponding activation products are often encountered in reactor-derived solid low and intermediate-level wastes. The most significant radioisotopes of iron and nickel, in terms of quantity and half life, are 55 Fe (t 1/2 =2.73y), 59 Ni (t 1/2 =7.6x10 4 y) and 63 Ni (t 1/2 =10 2 y) and they are activation products of stable iron and nickel. 59 Ni is an X-ray - emitting and 55 Fe and 63 Ni are β-particle-emitting radionuclides and so they are radionuclides of interest for the performance of assessment studies of waste storage or disposal. For their determination in the radioactive wastes is necessary to know the chemical yield for the radiochemical separation procedures prior analytical measurements. In this work Inductively Coupled Plasma Atomic Emission Spectrometry (ICP-AES) technique was used for this aim. Total nickel and iron in waste samples from nuclear power plants were determined before and after the radiochemical separation at specific wavelengths, 231.604 nm and 259.940 nm respectively. The chemical yields for nickel and iron recovery were around 82 % for iron and 59 % for nickel according the analytical methodology adopted. (author)

Chemical Engineering in the "BIO" world

DEFF Research Database (Denmark)

Chiarappa, Gianluca; Grassi, Mario; Abrami, Michela

2017-01-01

Modern Chemical Engineering was born around the end of the 19th century in Great Britain, Germany, and the USA, the most industrialized countries at that time. Milton C. Whitaker, in 1914, affirmed that the difference between Chemistry and Chemical Engineering lies in the capability of chemical...... engineers to transfer laboratory findings to the industrial level. Since then, Chemical Engineering underwent huge transformations determining the detachment from the original Chemistry nest. The beginning of the sixties of the 20th century saw the development of a new branch of Chemical Engineering...... baptized Biomedical Engineering by Peppas and Langer and that now we can name Biological Engineering. Interestingly, although Biological Engineering focused on completely different topics from Chemical Engineering ones, it resorted to the same theoretical tools such as, for instance, mass, energy...

CHEMICAL ENGINEERING DIVISION SUMMARY REPORT

Energy Technology Data Exchange (ETDEWEB)

Lawroski, S.; Vogel, R. C.; Levenson, Milton; Munnecke, V. H.

1963-07-01

Work reported includes: Chemical-Metallurgical Processing; Fuel Cycle Applications of Volatility and Fluidization Techniques; Calorimetry; Reactor Safety; Energy Conversion; and Determination of Nuclear Constants.

Quaternary structure of the ATPase complex of human 26S proteasomes determined by chemical cross-linking

DEFF Research Database (Denmark)

Hartmann-Petersen, R; Tanaka, K; Hendil, K B

2001-01-01

and substrate specificity. Among the approximately 18 subunits of PA700 regulator, six are ATPases. The ATPases presumably recognize, unfold, and translocate substrates into the interior of the 26S proteasome. It is generally believed that the ATPases form a hexameric ring. By means of chemical cross......-linking, immunoprecipitation, and blotting, we have determined that the ATPases are organized in the order S6-S6'-S10b-S8-S4-S7. Additionally, we found cross-links between the ATPase S10b and the 20S proteasome subunit alpha6. Together with the previously known interaction between S8 and alpha1 and between S4 and alpha7......, these data establish the relative orientations of ATPases with respect to the 20S proteasome....

Chemical shift imaging: a review

International Nuclear Information System (INIS)

Brateman, L.

1986-01-01

Chemical shift is the phenomenon that is seen when an isotope possessing a nuclear magnetic dipole moment resonates at a spectrum of resonance frequencies in a given magnetic field. These resonance frequencies, or chemical shifts, depend on the chemical environments of particular nuclei. Mapping the spatial distribution of nuclei associated with a particular chemical shift (e.g., hydrogen nuclei associated with water molecules or with lipid groups) is called chemical shift imaging. Several techniques of proton chemical shift imaging that have been applied in vivo are presented, and their clinical findings are reported and summarized. Acquiring high-resolution spectra for large numbers of volume elements in two or three dimensions may be prohibitive because of time constraints, but other methods of imaging lipid of water distributions (i.e., selective excitation, selective saturation, or variations in conventional magnetic resonance imaging pulse sequences) can provide chemical shift information. These techniques require less time, but they lack spectral information. Since fat deposition seen by chemical shift imaging may not be demonstrated by conventional magnetic resonance imaging, certain applications of chemical shift imaging, such as in the determination of fatty liver disease, have greater diagnostic utility than conventional magnetic resonance imaging. Furthermore, edge artifacts caused by chemical shift effects can be eliminated by certain selective methods of data acquisition employed in chemical shift imaging

Highly sensitive sorption-luminescence determination of trace europium with preconcentration on silica chemically modified with iminodiacetic acid

International Nuclear Information System (INIS)

Voronina, R.D.; Zorov, N.B.

2007-01-01

Features of a sorption-luminescence method for the determination of trace europium were studied. The method includes the preliminary sorption of europium at pH 7.1 from solutions with silica chemically modified with iminodiacetic acid, the subsequent treatment of the sorbent with 2-thenoyltrifluoroacetone at pH 8.0, and the measurement of the intensity of luminescence of the surface three-component europium complex at 613 nm. The effect of moisture as the quencher of luminescence of the surface europium complex was studied, and techniques for its removal were proposed. Sorption in the static mode provides the detection limit of europium of 7 x 10 -5 g/ml. The calibration plot is linear in the range of two orders of magnitude of europium concentration in solutions. The relative standard deviation in the determination of 1.5 x 10 -2 μg/ml europium is 5%. In the dynamic mode of sorption from 1000 ml of an analyzed solution with the use of sorption-desorption, the detection limit of europium of 8 x 10 -7 μg/ml was attained [ru

Chemically sensitive interfaces on SAW devices

Energy Technology Data Exchange (ETDEWEB)

Ricco, A.J.; Martin, S.J. [Sandia National Labs., Albuquerque, NM (United States); Crooks, R.M.; Xu, Chuanjing [Texas A and M Univ., College Station, TX (United States); Allred, R.E. [Adherent Technologies, Inc., Albuquerque, NM (United States)

1993-11-01

Using surface acoustic wave (SAW) devices, three approaches to the effective use of chemically sensitive interfaces that are not highly chemically selective have been examined: (1) molecular identification from time-resolved permeation transients; (2) using multifrequency SAW devices to determine the frequency dependence of analyte/film interactions; (3) use of an array of SAW devices bearing diverse chemically sensitive interfaces to produce a distinct response pattern for each analyte. In addition to their well-known sensitivity to mass changes (0.0035 monolayer of N{sub 2} can be measured), SAW devices respond to the mechanical and electronic properties of thin films, enhancing response information content but making a thorough understanding of the perturbation critical. Simultaneous measurement of changes in frequency and attenuation, which can provide the information necessary to determine the type of perturbation, are used as part of the above discrimination schemes.

Chemical dependency and adolescent self-esteem.

Science.gov (United States)

Wasson, D; Anderson, M A

1995-08-01

The purpose of this descriptive study is to determine whether self-esteem differs between chemically dependent adolescents and adolescents from the general high school population. The Self-Esteem Inventory (Coopersmith, 1987) was completed by 119 adolescents (31 inpatient, 31 aftercare, and 57 general high school students) aged 13 to 18. Findings suggest that inpatient, chemically dependent adolescents have lower self-esteem than the other two groups. For the chemically dependent adolescent, nursing case management with communication among and between health care providers, school professionals, and family may facilitate successful, long-term recovery. For adolescents at risk for development of chemical dependence, nursing health promotion behaviors, such as early assessment and implementation of self-esteem-building activities, may assist in prevention of chemical dependency.

30 CFR 47.21 - Identifying hazardous chemicals.

Science.gov (United States)

2010-07-01

..., subpart Z, Toxic and Hazardous Substances. (4) American Conference of Governmental Industrial Hygienists... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Identifying hazardous chemicals. 47.21 Section... TRAINING HAZARD COMMUNICATION (HazCom) Hazard Determination § 47.21 Identifying hazardous chemicals. The...

Chemical composition, secondary metabolites, in vitro gas ...

African Journals Online (AJOL)

Chemical composition, secondary metabolites, in vitro gas production characteristics and acceptability study of some forage for ruminant feeding in South-Western Nigeria. ... Chemical composition and qualitative analysis of saponins, phenol and steroids of the plants were determined. In vitro gas production (IVGP) was ...

Behavioral determinants of occupational exposure to chemical agents.

Science.gov (United States)

Meijman, T F; Ulenbelt, P; Lumens, M E; Herber, R F

1996-01-01

In the demand-control model (see T. Theorell & R. A. Karasek, 1996), it is hypothesized that workers in active jobs (high demands-high decision latitude) can exert effective coping strategies when confronted with environmental stessors. Thus, when exposed to similar levels of a chemical agent, lower concentrations of this agent in blood could be expected in these workers in comparison with workers in passive jobs. This theory was tested in 2 studies of lead-exposed workers: 18 male Caucasian workers from an electric accumulatory factory and 18 male Caucasian workers from a lead smelting factory. The results did not follow the hypothesized outcomes. In the work environment of the workers in active jobs, lower concentrations of lead in air were measured, but higher levels of lead in blood were observed in these workers. The opposite was true of workers in passive jobs. Differences in hygienic behavior at work may explain these unexpected results.

Using 1H and 13C NMR chemical shifts to determine cyclic peptide conformations: a combined molecular dynamics and quantum mechanics approach.

Science.gov (United States)

Nguyen, Q Nhu N; Schwochert, Joshua; Tantillo, Dean J; Lokey, R Scott

2018-05-10

Solving conformations of cyclic peptides can provide insight into structure-activity and structure-property relationships, which can help in the design of compounds with improved bioactivity and/or ADME characteristics. The most common approaches for determining the structures of cyclic peptides are based on NMR-derived distance restraints obtained from NOESY or ROESY cross-peak intensities, and 3J-based dihedral restraints using the Karplus relationship. Unfortunately, these observables are often too weak, sparse, or degenerate to provide unequivocal, high-confidence solution structures, prompting us to investigate an alternative approach that relies only on 1H and 13C chemical shifts as experimental observables. This method, which we call conformational analysis from NMR and density-functional prediction of low-energy ensembles (CANDLE), uses molecular dynamics (MD) simulations to generate conformer families and density functional theory (DFT) calculations to predict their 1H and 13C chemical shifts. Iterative conformer searches and DFT energy calculations on a cyclic peptide-peptoid hybrid yielded Boltzmann ensembles whose predicted chemical shifts matched the experimental values better than any single conformer. For these compounds, CANDLE outperformed the classic NOE- and 3J-coupling-based approach by disambiguating similar β-turn types and also enabled the structural elucidation of the minor conformer. Through the use of chemical shifts, in conjunction with DFT and MD calculations, CANDLE can help illuminate conformational ensembles of cyclic peptides in solution.

The use of digital simulation to improve the cyclic voltammetric determination of rate constants for homogeneous chemical reactions following charge transfers

International Nuclear Information System (INIS)

Mozo, J.D.; Carbajo, J.; Sturm, J.C.; Nunez-Vergara, L.J.; Moscoso, R.; Squella, J.A.

2011-01-01

Cyclic voltammetry (CV) is a very useful electrochemical tool used to study reaction systems that include chemical steps that are coupled to electron transfers. This type of system generally involves the chemical reaction of an electrochemically generated free radical. Published methods exist that are used to determine the kinetics of electrochemically initiated chemical reactions from the measurements of the peak current ratio (i pa /i pc ) of a cyclic voltammogram. The published method requires working curves to relate a kinetic parameter to the peak current ratio. In the presented work, a digital simulation package was used to obtain improved working curves for specific working conditions. The curves were compared with the published results for the first- and second-order chemical reactions following the charge transfer step mechanisms. According to the presented results, the previously published working curve is reliable for a mechanism with a first-order chemical reaction; however, a change in the switching potential requires a recalculation of the curve. In the case of mechanisms with a second-order step (dimerisation and disproportionation), several different views exist on how the second-order chemical term should be expressed so that different values of the constant are obtained. Parameters such as electrode type, electrode area, electroactive species concentration, switching potential, scan rate and method for peak current ratio calculation modify the working curves and must always be specified. We propose a standardised method to obtain the most reliable kinetic constant values. The results of this work will permit researchers who handle simulation software to construct their own working curves. Additionally, those who do not have the simulation software could use the working curves described here. The revelations of the presented experiments may be useful to a broad chemistry audience because this study presents a simple and low-cost procedure for the

Sorptive capacities of lipids determined by passive dosing of non-polar organic chemicals

DEFF Research Database (Denmark)

Jahnke, Annika; Kierkegaard, Amelie; Bolinius, Damien

VMS), chlorobenzenes and polychlorinated biphenyls via a common headspace over an olive oil donor phase to transfer the same chemical activity into the samples; iii) sampling of EOM and olive oil controls at different time points; iv) purge-and-trap extraction of the model chemicals onto ENV+ SPE cartridges, elution...... and GC/MS analysis; v) characterization of the lipid composition in all samples via NMR. Our experiments demonstrate that the sorptive capacities of the EOM samples do not differ significantly from the olive oil controls if the EOM consists of neutral lipids only. However, the EOM samples show small...

Determination of polar pesticides with atmospheric pressure chemical ionisation mass spectrometry-mass spectrometry using methanol and/or acetonitrile for solid-phase desorption and gradient liquid chromatography.

NARCIS (Netherlands)

Geerdink, R.B.; Kooistra-Slijpersma, A.; Tiesnitsch, J.; Kienhuis, P.G.M.; Brinkman, U.A.T.

1999-01-01

Thirty-seven polar pesticides, mainly triazines, phenylurea herbicides and phenoxy acids, were determined by LC-atmospheric pressure chemical ionisation MS-MS with methanol and acetonitrile as the organic modifiers. For most pesticides, detection limits were the same irrespective of the modifier.

Application of Chemically Accelerated Biotreatment to Reduce Risk in Oil-Impacted Soils

Energy Technology Data Exchange (ETDEWEB)

Paterek, J.R.; Bogan, W.W.; Sirivedhin; Tanita

2003-03-06

Research was conducted in six major focus areas: (1) Evaluation of the process using 6 test soils with full chemical and physical characteristics to determine controlling factors for biodegradation and chemical oxidation; (2) Determination of the sequestration time on chemical treatment suspectability; (3) Risk factors, i.e. toxicity after chemical and biological treatment; (4) Impact of chemical treatment (Fenton's Reagent) on the agents of biodegradation; (5) Description of a new genus and its type species that degrades hydrocarbons; and (6) Intermediates generate from Fenton's reagent treatment of various polynuclear aromatic hydrocarbons.

Chemical renal denervation in the rat.

Science.gov (United States)

Consigny, Paul M; Davalian, Dariush; Donn, Rosy; Hu, Jie; Rieser, Matthew; Stolarik, Deanne

2014-02-01

The recent success of renal denervation in lowering blood pressure in drug-resistant hypertensive patients has stimulated interest in developing novel approaches to renal denervation including local drug/chemical delivery. The purpose of this study was to develop a rat model in which depletion of renal norepinephrine (NE) could be used to determine the efficacy of renal denervation after the delivery of a chemical to the periadventitial space of the renal artery. Renal denervation was performed on a single renal artery of 90 rats (n = 6 rats/group). The first study determined the time course of renal denervation after surgical stripping of a renal artery plus the topical application of phenol in alcohol. The second study determined the efficacy of periadventitial delivery of hypertonic saline, guanethidine, and salicylic acid. The final study determined the dose-response relationship for paclitaxel. In all studies, renal NE content was determined by liquid chromatography-mass spectrometry. Renal NE was depleted 3 and 7 days after surgical denervation. Renal NE was also depleted by periadventitial delivery of all agents tested (hypertonic saline, salicylic acid, guanethidine, and paclitaxel). A dose response was observed after the application of 150 μL of 10(-5) M through 10(-2) M paclitaxel. We developed a rat model in which depletion of renal NE was used to determine the efficacy of renal denervation after perivascular renal artery drug/chemical delivery. We validated this model by demonstrating the efficacy of the neurotoxic agents hypertonic saline, salicylic acid, and guanethidine and increasing doses of paclitaxel.

Investigating hydrogel dosimeter decomposition by chemical methods

International Nuclear Information System (INIS)

Jordan, Kevin

2015-01-01

The chemical oxidative decomposition of leucocrystal violet micelle hydrogel dosimeters was investigated using the reaction of ferrous ions with hydrogen peroxide or sodium bicarbonate with hydrogen peroxide. The second reaction is more effective at dye decomposition in gelatin hydrogels. Additional chemical analysis is required to determine the decomposition products

Using solid phase micro extraction to determine salting-out (Setschenow) constants for hydrophobic organic chemicals.

NARCIS (Netherlands)

Jonker, M.T.O.; Muijs, B.

2010-01-01

With increasing ionic strength, the aqueous solubility and activity of organic chemicals are altered. This so-called salting-out effect causes the hydrophobicity of the chemicals to be increased and sorption in the marine environment to be more pronounced than in freshwater systems. The process can

Predicting degradability of organic chemicals

Energy Technology Data Exchange (ETDEWEB)

Finizio, A; Vighi, M [Milan Univ. (Italy). Ist. di Entomologia Agraria

1992-05-01

Degradability, particularly biodegradability, is one of the most important factors governing the persistence of pollutants in the environment and consequently influencing their behavior and toxicity in aquatic and terrestrial ecosystems. The need for reliable persistence data in order to assess the environmental fate and hazard of chemicals by means of predictive approaches, is evident. Biodegradability tests are requested by the EEC directive on new chemicals. Neverthless, degradation tests are not easy to carry out and data on existing chemicals are very scarce. Therefore, assessing the fate of chemicals in the environment from the simple study of their structure would be a useful tool. Rates of degradation are a function of the rates of a series of processes. Correlation between degradation rates and structural parameters are will be facilitated if one of the processes is rate determining. This review is a survey of studies dealing with relationships between structure and biodegradation of organic chemicals, to identify the value and limitations of this approach.

Chemical peeling in ethnic/dark skin.

Science.gov (United States)

Roberts, Wendy E

2004-01-01

Chemical peeling for skin of color arose in ancient Egypt, Mesopotamia, and other ancient cultures in and around Africa. Our current fund of medical knowledge regarding chemical peeling is a result of centuries of experience and research. The list of agents for chemical peeling is extensive. In ethnic skin, our efforts are focused on superficial and medium-depth peeling agents and techniques. Indications for chemical peeling in darker skin include acne vulgaris, postinflammatory hyperpigmentation, melasma, scarring, photodamage, and pseudofolliculitis barbae. Careful selection of patients for chemical peeling should involve not only identification of Fitzpatrick skin type, but also determining ethnicity. Different ethnicities may respond unpredictably to chemical peeling regardless of skin phenotype. Familiarity with the properties each peeling agent used is critical. New techniques discussed for chemical peeling include spot peeling for postinflammatory hyperpigmentation and combination peels for acne and photodamage. Single- or combination-agent chemical peels are shown to be efficacious and safe. In conclusion, chemical peeling is a treatment of choice for numerous pigmentary and scarring disorders arising in dark skin tones. Familiarity with new peeling agents and techniques will lead to successful outcomes.

Quality improvement in determination of chemical oxygen demand in samples considered difficult to analyze, through participation in proficiency-testing schemes

DEFF Research Database (Denmark)

Raposo, Francisco; Fernández-Cegrí, V.; De la Rubia, M.A.

2010-01-01

Chemical oxygen demand (COD) is a critical analytical parameter in waste and wastewater treatment, more specifically in anaerobic digestion, although little is known about the quality of measuring COD of anaerobic digestion samples. Proficiency testing (PT) is a powerful tool that can be used...... to test the performance achievable in the participants laboratories, so we carried out a second PT of COD determination in samples considered ‘‘difficult’’ to analyze (i.e. solid samples and liquid samples with high concentrations of suspended solids). The results obtained (based on acceptable z...

Chemical sensor with oscillating cantilevered probe

Science.gov (United States)

Adams, Jesse D

2013-02-05

The invention provides a method of detecting a chemical species with an oscillating cantilevered probe. A cantilevered beam is driven into oscillation with a drive mechanism coupled to the cantilevered beam. A free end of the oscillating cantilevered beam is tapped against a mechanical stop coupled to a base end of the cantilevered beam. An amplitude of the oscillating cantilevered beam is measured with a sense mechanism coupled to the cantilevered beam. A treated portion of the cantilevered beam is exposed to the chemical species, wherein the cantilevered beam bends when exposed to the chemical species. A second amplitude of the oscillating cantilevered beam is measured, and the chemical species is determined based on the measured amplitudes.

Standard test method for determining effects of chemical admixtures on corrosion of embedded steel reinforcement in concrete exposed to chloride environments

CERN Document Server

American Society for Testing and Materials. Philadelphia

2007-01-01

1.1 This test method covers a procedure for determining the effects of chemical admixtures on the corrosion of metals in concrete. This test method can be used to evaluate materials intended to inhibit chloride-induced corrosion of steel in concrete. It can also be used to evaluate the corrosivity of admixtures in a chloride environment. 1.2 The values stated in SI units are to be regarded as the standard. The values given in parentheses are for information only. 1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

Nuclear techniques in coal and chemical industries

International Nuclear Information System (INIS)

Elbern, A.W.; Leal, C.A.

1980-01-01

The use of nuclear techniques for the determination of important parameters in industrial installations is exemplified; advantages of these techniques over other methods conventionally used are pointed out. The use of radiotracers in the study of physical and chemical phenomena occurring in the chemical industry is discussed. It is also shown that, using certain radioisotopes, it is possible to construct devices which enable, for example, the determination of the ash content in coal samples. These devices are economical and easy to be installed for the on-line control during coal transportation. (C.L.B.) [pt

Atlantic Forest. A natural reservoir of chemical elements

International Nuclear Information System (INIS)

De Franca, E.J.; De Nadai Fernandes, E.A.; Bacchi, M.A.; Elias, C.

2008-01-01

The accumulation of chemical elements in biological compartments is one of the strategies of tropical species to adapt to a low-nutrient soil. This study focuses on the Atlantic Forest because of its eco-environmental importance as a natural reservoir of chemical elements. About 20 elements were determined by INAA in leaf, soil, litter and epiphyte compartments. There was no seasonality for chemical element concentrations in leaves, which probably indicated the maintenance of chemical elements in this compartment. Considering the estimated quantities, past deforestation events could have released large amounts of chemical elements to the environment. (author)

Toxic chemical considerations for tank farm releases

Energy Technology Data Exchange (ETDEWEB)

Van Keuren, J.C.; Davis, J.S., Westinghouse Hanford

1996-08-01

This topical report contains technical information used to determine the accident consequences of releases of toxic chemical and gases for the Tank Farm Final Safety Analysis report (FSAR).It does not provide results for specific accident scenarios but does provide information for use in those calculations including chemicals to be considered, chemical concentrations, chemical limits and a method of summing the fractional contributions of each chemical. Tank farm composites evaluated were liquids and solids for double shell tanks, single shell tanks, all solids,all liquids, headspace gases, and 241-C-106 solids. Emergency response planning guidelines (ERPGs) were used as the limits.Where ERPGs were not available for the chemicals of interest, surrogate ERPGs were developed. Revision 2 includes updated sample data, an executive summary, and some editorial revisions.

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.

Latest Developments in Data Analysis and Structure Determination and Refinement: Software for Chemical Crystallography

International Nuclear Information System (INIS)

Dix, I.; Adam, M.; Jacob, H. F.; Roter, A.

2003-01-01

The introduction of a two-dimensional CCD X-ray detector nearly 10 years ago by Bruker started a revolution in chemical crystallography. Since then, crystallographers can accomplish a complete data collection even of small and poorly scattering crystals in a few hours instead of days. The launch of the kappa geometry by Nonius a few years ago beforehand equally revolutionized the field of single crystal diffractometry. Currently Bruker Nonius has far more than 500 CCD systems installed. The latest development of Bruker Nonius, the X8 APEX, is the powerful combination of both: the APEX CCD detector and the unique Kappa four-circle goniometer. The APEX 4K CCD detector provides the utmost sensitivity, while the Kappa four-circle goniometer offers a very open geometry, granting all the flexibility to align any crystallographic axis. This provides a more efficient data collection for axial photographs to investigate e.g. diffuse scattering or incommensurate structures. Even the crystal-detector distance is computer-controlled for precise and superior data collection. The X8 APEX software suite gives a whole new look to the CCD users interface. It not only has improved data collection abilities, but also guides the chemist or mineralogist through gathering the raw crystal data to producing the final crystal structure. It provides context-dependent menus, which are well-known from business software packages such as Outlook. The tools for unit cell determination, views into reciprocal space, optimisation of the data collection strategy, data integration, scaling and correcting (SADABS) as well as tools for structure solving and refining (SHELXTL package) will be presented. Low temperature work has become an essential tool for challenging samples. The Bruker Nonius Kryo-Flex cryogenic device makes chemical crystallography at low temperatures a routine method in your laboratory. Of course, the Kryo-Flex is fully controlled by the new graphical user interface of the X8 APEX

Proficiency Testing for Determination of Water Content in Toluene of Chemical Reagents by iteration robust statistic technique

Science.gov (United States)

Wang, Hao; Wang, Qunwei; He, Ming

2018-05-01

In order to investigate and improve the level of detection technology of water content in liquid chemical reagents of domestic laboratories, proficiency testing provider PT0031 (CNAS) has organized proficiency testing program of water content in toluene, 48 laboratories from 18 provinces/cities/municipals took part in the PT. This paper introduces the implementation process of proficiency testing for determination of water content in toluene, including sample preparation, homogeneity and stability test, the results of statistics of iteration robust statistic technique and analysis, summarized and analyzed those of the different test standards which are widely used in the laboratories, put forward the technological suggestions for the improvement of the test quality of water content. Satisfactory results were obtained by 43 laboratories, amounting to 89.6% of the total participating laboratories.

Determination of chemical activities of Fe, Cr, Ni and Mn in stainless steel 316 by Knudsen effusion cell mass spectrometry

International Nuclear Information System (INIS)

Venugopal, V.; Kulkarni, S.G.; Subbanna, C.S.; Sood, D.D.

1995-01-01

Cold-worked austenitic stainless steel of the type AISI 316 is being used as the cladding and wrapper materials in fast reactor fuel pins. Knowledge of the thermodynamic activities of the steel constituents is necessary to predict the possibility of fuel-cladding, coolant-cladding or fission product-cladding chemical reactions. The thermodynamic activities of Fe, Cr, Ni and Mn for stainless steel 316 were determined by measuring their partial pressures in the temperature range 1293-2120 K, using Knudsen effusion cell mass spectrometry. High purity Ag was used as an internal calibrant. The chemical activities of Fe (a Fe ), Cr (a Cr ), Ni (a Ni ) and Mn (a Mn ) were evaluated using literature data for the vapour pressures of pure metals. log a Fe ±0.18=-1.586+2074/T (T=1293-1872 K)log a Cr ±0.30=-2.350+2612/T (T=1293-2120 K)log a Ni ±0.20=-2.140+1794/T (T=1468-1974 K)log a Mn ±0.23=-2.041-5478/T (T=1302-1894 K) ((orig.))

Polarographic validation of chemical speciation models

International Nuclear Information System (INIS)

Duffield, J.R.; Jarratt, J.A.

2001-01-01

It is well established that the chemical speciation of an element in a given matrix, or system of matrices, is of fundamental importance in controlling the transport behaviour of the element. Therefore, to accurately understand and predict the transport of elements and compounds in the environment it is a requirement that both the identities and concentrations of trace element physico-chemical forms can be ascertained. These twin requirements present the analytical scientist with considerable challenges given the labile equilibria, the range of time scales (from nanoseconds to years) and the range of concentrations (ultra-trace to macro) that may be involved. As a result of this analytical variability, chemical equilibrium modelling has become recognised as an important predictive tool in chemical speciation analysis. However, this technique requires firm underpinning by the use of complementary experimental techniques for the validation of the predictions made. The work reported here has been undertaken with the primary aim of investigating possible methodologies that can be used for the validation of chemical speciation models. However, in approaching this aim, direct chemical speciation analyses have been made in their own right. Results will be reported and analysed for the iron(II)/iron(III)-citrate proton system (pH 2 to 10; total [Fe] = 3 mmol dm -3 ; total [citrate 3- ] 10 mmol dm -3 ) in which equilibrium constants have been determined using glass electrode potentiometry, speciation is predicted using the PHREEQE computer code, and validation of predictions is achieved by determination of iron complexation and redox state with associated concentrations. (authors)

Chemical Renal Denervation in the Rat

Energy Technology Data Exchange (ETDEWEB)

Consigny, Paul M., E-mail: paul.consigny@av.abbott.com; Davalian, Dariush, E-mail: dariush.davalian@av.abbott.com [Abbott Vascular, Innovation Incubator (United States); Donn, Rosy, E-mail: rosy.donn@av.abbott.com; Hu, Jie, E-mail: jie.hu@av.abbott.com [Abbott Vascular, Bioanalytical and Material Characterization (United States); Rieser, Matthew, E-mail: matthew.j.rieser@abbvie.com; Stolarik, DeAnne, E-mail: deanne.f.stolarik@abbvie.com [Abbvie, Analytical Pharmacology (United States)

2013-12-03

Introduction: The recent success of renal denervation in lowering blood pressure in drug-resistant hypertensive patients has stimulated interest in developing novel approaches to renal denervation including local drug/chemical delivery. The purpose of this study was to develop a rat model in which depletion of renal norepinephrine (NE) could be used to determine the efficacy of renal denervation after the delivery of a chemical to the periadventitial space of the renal artery. Methods: Renal denervation was performed on a single renal artery of 90 rats (n = 6 rats/group). The first study determined the time course of renal denervation after surgical stripping of a renal artery plus the topical application of phenol in alcohol. The second study determined the efficacy of periadventitial delivery of hypertonic saline, guanethidine, and salicylic acid. The final study determined the dose–response relationship for paclitaxel. In all studies, renal NE content was determined by liquid chromatography–mass spectrometry. Results: Renal NE was depleted 3 and 7 days after surgical denervation. Renal NE was also depleted by periadventitial delivery of all agents tested (hypertonic saline, salicylic acid, guanethidine, and paclitaxel). A dose response was observed after the application of 150 μL of 10{sup −5} M through 10{sup −2} M paclitaxel. Conclusion: We developed a rat model in which depletion of renal NE was used to determine the efficacy of renal denervation after perivascular renal artery drug/chemical delivery. We validated this model by demonstrating the efficacy of the neurotoxic agents hypertonic saline, salicylic acid, and guanethidine and increasing doses of paclitaxel.

Chemical Renal Denervation in the Rat

International Nuclear Information System (INIS)

Consigny, Paul M.; Davalian, Dariush; Donn, Rosy; Hu, Jie; Rieser, Matthew; Stolarik, DeAnne

2014-01-01

Introduction: The recent success of renal denervation in lowering blood pressure in drug-resistant hypertensive patients has stimulated interest in developing novel approaches to renal denervation including local drug/chemical delivery. The purpose of this study was to develop a rat model in which depletion of renal norepinephrine (NE) could be used to determine the efficacy of renal denervation after the delivery of a chemical to the periadventitial space of the renal artery. Methods: Renal denervation was performed on a single renal artery of 90 rats (n = 6 rats/group). The first study determined the time course of renal denervation after surgical stripping of a renal artery plus the topical application of phenol in alcohol. The second study determined the efficacy of periadventitial delivery of hypertonic saline, guanethidine, and salicylic acid. The final study determined the dose–response relationship for paclitaxel. In all studies, renal NE content was determined by liquid chromatography–mass spectrometry. Results: Renal NE was depleted 3 and 7 days after surgical denervation. Renal NE was also depleted by periadventitial delivery of all agents tested (hypertonic saline, salicylic acid, guanethidine, and paclitaxel). A dose response was observed after the application of 150 μL of 10 −5  M through 10 −2  M paclitaxel. Conclusion: We developed a rat model in which depletion of renal NE was used to determine the efficacy of renal denervation after perivascular renal artery drug/chemical delivery. We validated this model by demonstrating the efficacy of the neurotoxic agents hypertonic saline, salicylic acid, and guanethidine and increasing doses of paclitaxel

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

A simple wet chemical method for the determination of cation stoichiometry of YBa2Cu3O7-d

International Nuclear Information System (INIS)

Sahasranaman, S.; Premila, M.; Sreedharan, O.M.

1996-01-01

A comprehensive wet chemical procedure for the rapid analysis of yttrium, barium and copper ions in dilute HNO 3 medium has been developed to facilitate a precise and accurate determination of cation non-stoichiometry in high temperature ceramic superconducting materials Y 1±x Ba 2±y Cu 3±z O 7-d . The ease of analysis for copper by electrogravimetry and of yttrium and barium by a complexometric titration of the same aliquot against complexone III using arsenazo I as the indicator under appropriate pH has been demonstrated with the help of individual standard solutions and with synthetic mixtures. (author)

ANALYSIS AND IDENTIFICATION SPIKING CHEMICAL COMPOUNDS RELATED TO CHEMICAL WEAPON CONVENTION IN UNKNOWN WATER SAMPLES USING GAS CHROMATOGRAPHY AND GAS CHROMATOGRAPHY ELECTRON IONIZATION MASS SPECTROMETRY

Directory of Open Access Journals (Sweden)

Harry Budiman

2010-06-01

Full Text Available The identification and analysis of chemical warfare agents and their degradation products is one of important component for the implementation of the convention. Nowadays, the analytical method for determination chemical warfare agent and their degradation products has been developing and improving. In order to get the sufficient analytical data as recommended by OPCW especially in Proficiency Testing, the spiking chemical compounds related to Chemical Weapon Convention in unknown water sample were determined using two different techniques such as gas chromatography and gas chromatography electron-impact ionization mass spectrometry. Neutral organic extraction, pH 11 organic extraction, cation exchanged-methylation, triethylamine/methanol-silylation were performed to extract the chemical warfare agents from the sample, before analyzing with gas chromatography. The identification of chemical warfare agents was carried out by comparing the mass spectrum of chemicals with mass spectrum reference from the OPCW Central Analytical Database (OCAD library while the retention indices calculation obtained from gas chromatography analysis was used to get the confirmation and supported data of  the chemical warfare agents. Diisopropyl methylphosphonate, 2,2-diphenyl-2-hydroacetic acid and 3-quinuclidinol were found in unknown water sample. Those chemicals were classified in schedule 2 as precursor or reactant of chemical weapons compound in schedule list of Chemical Weapon Convention.   Keywords: gas chromatography, mass spectrometry, retention indices, OCAD library, chemical warfare agents

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)

Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures

International Nuclear Information System (INIS)

Franco-Pérez, Marco; Gázquez, José L.; Ayers, Paul W.; Vela, Alberto

2015-01-01

We extend the definition of the electronic chemical potential (μ e ) and chemical hardness (η e ) to finite temperatures by considering a reactive chemical species as a true open system to the exchange of electrons, working exclusively within the framework of the grand canonical ensemble. As in the zero temperature derivation of these descriptors, the response of a chemical reagent to electron-transfer is determined by the response of the (average) electronic energy of the system, and not by intrinsic thermodynamic properties like the chemical potential of the electron-reservoir which is, in general, different from the electronic chemical potential, μ e . Although the dependence of the electronic energy on electron number qualitatively resembles the piecewise-continuous straight-line profile for low electronic temperatures (up to ca. 5000 K), the introduction of the temperature as a free variable smoothens this profile, so that derivatives (of all orders) of the average electronic energy with respect to the average electron number exist and can be evaluated analytically. Assuming a three-state ensemble, well-known results for the electronic chemical potential at negative (−I), positive (−A), and zero values of the fractional charge (−(I + A)/2) are recovered. Similarly, in the zero temperature limit, the chemical hardness is formally expressed as a Dirac delta function in the particle number and satisfies the well-known reciprocity relation with the global softness

Noninvasive Biomonitoring Approaches to Determine Dosimetry and Risk Following Acute Chemical Exposure: Analysis of Lead or Organophosphate Insecticide in Saliva

International Nuclear Information System (INIS)

Timchalk, Chuck; Poet, Torka S.; Kousba, Ahmed A.; Campbell, James A.; Lin, Yuehe

2004-01-01

There is a need to develop approaches for assessing risk associated with acute exposures to a broad-range of chemical agents and to rapidly determine the potential implications to human health. Non-invasive biomonitoring approaches are being developed using reliable portable analytical systems to quantitate dosimetry utilizing readily obtainable body fluids, such as saliva. Saliva has been used to evaluate a broad range of biomarkers, drugs, and environmental contaminants including heavy metals and pesticides. To advance the application of non-invasive biomonitoring a microfluidic/ electrochemical device has also been developed for the analysis of lead (Pb), using square wave anodic stripping voltammetry. The system demonstrates a linear response over a broad concentration range (1 2000 ppb) and is capable of quantitating saliva Pb in rats orally administered acute doses of Pb-acetate. Appropriate pharmacokinetic analyses have been used to quantitate systemic dosimetry based on determination of saliva Pb concentrations. In addition, saliva has recently been used to quantitate dosimetry following exposure to the organophosphate insecticide chlorpyrifos in a rodent model system by measuring the major metabolite, trichloropyridinol, and saliva cholinesterase inhibition following acute exposures. These results suggest that technology developed for non-invasive biomonitoring can provide a sensitive, and portable analytical tool capable of assessing exposure and risk in real-time. By coupling these non-invasive technologies with pharmacokinetic modeling it is feasible to rapidly quantitate acute exposure to a broad range of chemical agents. In summary, it is envisioned that once fully developed, these monitoring and modeling approaches will be useful for accessing acute exposure and health risk

Semi-annual report of Chemical Division of CDTN - July to December 1988

International Nuclear Information System (INIS)

Ferreira, M.P.

1989-01-01

The main activities developed by the Chemical Division of CDTN are described, including 1) the characterization of rare earths and yttrium; 2) the specification of Cu ++ selective electrode; 3) chemical characterization of UO 2 sintering pellets; 4) determination of graphitic carbon in cement; 5) determination of lead in blood and urine; and 6) analytical determinations. (C.G.C.) [pt

Fatty acid and cholesterol content, chemical composition and ...

African Journals Online (AJOL)

This study aimed to determine the fatty acid and chemical composition and cholesterol concentration of horsemeat, and to evaluate its taste acceptability by the Brazilian population. Horsemeat samples (M. longissimus dorsi) were obtained from a Paraná State slaughterhouse. The chemical composition revealed a low lipid ...

Measurements of radon and chemical elements: Popocatepetl volcano

International Nuclear Information System (INIS)

Pena, P.; Segovia, N.; Lopez, B.; Reyes, A.V.; Armienta, M.A.; Valdes, C.; Mena, M.; Seidel, J.L.; Monnin, M.

2002-01-01

The Popocatepetl volcano is a higher risk volcano located at 60 Km from Mexico City. Radon measurements on soil in two fixed seasons located in the north slope of volcano were carried out. Moreover the radon content, major chemical elements and tracks in water samples of three springs was studied. The radon of soil was determined with solid detectors of nuclear tracks (DSTN). The radon in subterranean water was evaluated through the liquid scintillation method and it was corroborated with an Alpha Guard equipment. The major chemical elements were determined with conventional chemical methods and the track elements were measured using an Icp-Ms equipment. The radon on soil levels were lower, indicating a moderate diffusion of the gas across the slope of the volcano. The radon in subterranean water shown few changes in relation with the active scene of the volcano. The major chemical elements and tracks showed a stable behavior during the sampling period. (Author)

Determination of the X-ray structure of the snake venom protein omwaprin by total chemical synthesis and racemic protein crystallography.

Science.gov (United States)

Banigan, James R; Mandal, Kalyaneswar; Sawaya, Michael R; Thammavongsa, Vilasak; Hendrickx, Antoni P A; Schneewind, Olaf; Yeates, Todd O; Kent, Stephen B H

2010-10-01

The 50-residue snake venom protein L-omwaprin and its enantiomer D-omwaprin were prepared by total chemical synthesis. Radial diffusion assays were performed against Bacillus megaterium and Bacillus anthracis; both L- and D-omwaprin showed antibacterial activity against B. megaterium. The native protein enantiomer, made of L-amino acids, failed to crystallize readily. However, when a racemic mixture containing equal amounts of L- and D-omwaprin was used, diffraction quality crystals were obtained. The racemic protein sample crystallized in the centrosymmetric space group P2(1)/c and its structure was determined at atomic resolution (1.33 A) by a combination of Patterson and direct methods based on the strong scattering from the sulfur atoms in the eight cysteine residues per protein. Racemic crystallography once again proved to be a valuable method for obtaining crystals of recalcitrant proteins and for determining high-resolution X-ray structures by direct methods.

Standard Test Method to Determine Color Change and Staining Caused by Aircraft Maintenance Chemicals upon Aircraft Cabin Interior Hard Surfaces

CERN Document Server

American Society for Testing and Materials. Philadelphia

2001-01-01

1.1 This test method covers the determination of color change and staining from liquid solutions, such as cleaning or disinfecting chemicals or both, on painted metallic surfaces and nonmetallic surfaces of materials being used inside the aircraft cabin. The effects upon the exposed specimens are measured with the AATCC Gray Scale for Color Change and AATCC Gray Color Scale for Staining. Note 1—This test method is applicable to any colored nonmetallic hard surface in contact with liquids. The selected test specimens are chosen because these materials are present in the majority of aircraft cabin interiors. 1.2This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

Desorption modeling of hydrophobic organic chemicals from plastic sheets using experimentally determined diffusion coefficients in plastics.

Science.gov (United States)

Lee, Hwang; Byun, Da-Eun; Kim, Ju Min; Kwon, Jung-Hwan

2018-01-01

To evaluate rate of migration from plastic debris, desorption of model hydrophobic organic chemicals (HOCs) from polyethylene (PE)/polypropylene (PP) films to water was measured using PE/PP films homogeneously loaded with the HOCs. The HOCs fractions remaining in the PE/PP films were compared with those predicted using a model characterized by the mass transfer Biot number. The experimental data agreed with the model simulation, indicating that HOCs desorption from plastic particles can generally be described by the model. For hexachlorocyclohexanes with lower plastic-water partition coefficients, desorption was dominated by diffusion in the plastic film, whereas desorption of chlorinated benzenes with higher partition coefficients was determined by diffusion in the aqueous boundary layer. Evaluation of the fraction of HOCs remaining in plastic films with respect to film thickness and desorption time showed that the partition coefficient between plastic and water is the most important parameter influencing the desorption half-life. Copyright © 2017 Elsevier Ltd. All rights reserved.

CHEMICAL DETERMINATION OF HEAVY METALS IN PB AND ZN CONCENTRATES OF TREPÇA (KOSOVO AND CORRELATIONS COEFFI CIENTS STUDY BETWEEN CHEMICAL DATA

Directory of Open Access Journals (Sweden)

Fatbardh Gashi

2017-03-01

Full Text Available Kosovo ore deposits are located in the Trepça belt which extends for over 80 km. The concentrate produced by the flotation process of the Trepça metallurgical corporation contains a considerable quantity of valuable metals, such as Pb, Zn, Fe and minor accompanying metals such as Cd, Cu, As, Sb, Bi, Ag, Au, etc. The subject of this work was to assess the concentration of major and minor metals in lead and zinc concentrates of Trepça and to study the correlation coefficients between metals. Chemical determination of concentrates was performed by using atomic absorption spectroscopy (AAS. In the content on lead concentrate samples, the following were found: Pb>Fe>Zn> Ag> As>Sb>Cd. In the content of zinc concentrate, the following were found: Zn>Fe>Pb>Ag>As>Cd. The program “Statistica ver. 6.0” has been used for calculations of basic statistical parameters, relationships between data and cluster analysis of R-mode. R-mode cluster analysis on lead concentrate samples showed that Pb has the closest linkages with Fe and they form one branch of the dendogram. On the zinc concentrate samples, Zn has the closest linkages with Fe and they form one branch of the dendogram.

Determination of Five Chemical Markers in DF Formula, the Herbal Composition of Ephedra intermedia, Rheum palmatum, and Lithospermum erythrorhizon, Using High-performance Liquid Chromatography-ultraviolet Detection

Science.gov (United States)

Jeong, Birang; Roh, Jong Seong; Yoon, Michung; Yoon, Yoosik; Shin, Soon Shik; Cho, Hyun Joo; Kwon, Yong Soo; Yang, Heejung

2018-01-01

Background: DF formula is a herbal preparation comprised three medicinal herbs, namely, Ephedra intermedia, Rheum palmatum, and Lithospermum erythrorhizon, which is being used for the treatment of obesity and liver fibrosis in Korean local clinics. Objective: Since the abovementioned three herbs exist with different proportions in DF formula and their chemical markers have different physiochemical properties; it is quite challenging to develop an analytical methodology for the determination of these chemical markers. Materials and Methods: For the analysis of the three herbs, five chemicals, (+)-pseudoephedrine (1) and (−)-ephedrine (2) for E. intermedia, aloe-emodin (3), and chrysophanol (4) for R. palmatum, and shikonin (5) for L. erythrorhizon, were selected for method validation of DF formula, and the analytical conditions were optimized and validated using high-performance liquid chromatography coupled with an ultraviolet detector (HPLC-UV). Results: The specificities for the five compounds 1–5 were determined by their UV absorption spectra (1–4: 215 nm and 5: 520 nm). Their calibration curves showed good linear regressions with high correlation coefficient values (R2 > 0.9997). The limits of detection of these five markers were in the range 0.4–2.1 ng/mL, with the exception of 5 (12.7 ng/mL). The intraday variability for all the chemical markers was less than a Relative standard deviation (RSD) of 3%, except for 5 (RSD = 12.6%). In the case of interday analysis, 1 (1.0%), 2 (3.1%), and 4 (3.7%) showed much lower variabilities (RSD High-performance liquid chromatography; UV: Ultraviolet; LOD: Limit of detection; LOQ: Limit of quantification; RSD: Relative standard deviation. PMID:29720825

Synthesis and Physical and Chemical Properties of Hypergolic Chemicals such as N,N,N-Trimethylhydrazinium and 1-Ethyl-4-Methyl-1,2,4-Triazolium Salts

Directory of Open Access Journals (Sweden)

Young-Seok Kim

2015-12-01

Full Text Available Hypergolic chemicals N,N,N-trimethylhydrazinium iodide, [TMH]+[I]−, and 1-ethyl-4-methyl-1,2,4-triazolium iodide, [EMT]+[I]− were firstly synthesized by nucleophilic substitution (SN2. The successful synthesis of hypergolic chemicals [TMH]+[I]− and [EMT]+[I]− was confirmed by IR and 1H-NMR spectroscopy and, GC-mass spectrometry. Subsequently the hypergolic chemicals [TMH]+[X]− (X = CN−, N3−, NO3−, NO2−, ClO4−, AlCl4− were prepared via an ion exchange reaction from [TMH]+[I]− and [EMT]+[I]−, respectively. After that, a mixture of hypergolic chemicals was prepared by dissolving the synthesized hypergolic chemicals in 2-hydroxyethylhydrazine (HOCH2CH2NHNH2. The physical and chemical properties of the mixture such as decomposition temperature (Td, density (d, viscosity (η, and decomposition energy (ΔHd was then evaluated to determine suitability for use as liquid rocket fuels. The ignition delay (ID time of the mixture of hypergolic chemicals with [TMH]+[N3]− and [TMH]+[CN]− using H2O2 as an oxidizer was determined as 55.6 ms and 97.4 ms; respectively. The ID time of the mixture of hypergolic chemicals with [EMT]+[N3]−; [EMT]+[CN]−; [EMT]+[AlCl4]−; and [EMT]+[I]− using H2O2 as an oxidizer was also determined as 18.0 ms; 32.6 ms; 27.6 ms; and 7.96 ms; respectively. The synthesized mixture of hypergolic chemicals could thus be used as a rocket propellant liquid fuel.

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank

OpenAIRE

Westbrook, John D.; Shao, Chenghua; Feng, Zukang; Zhuravleva, Marina; Velankar, Sameer; Young, Jasmine

2014-01-01

Summary: The Chemical Component Dictionary (CCD) is a chemical reference data resource that describes all residue and small molecule components found in Protein Data Bank (PDB) entries. The CCD contains detailed chemical descriptions for standard and modified amino acids/nucleotides, small molecule ligands and solvent molecules. Each chemical definition includes descriptions of chemical properties such as stereochemical assignments, chemical descriptors, systematic chemical names and idealize...

Chemical buffering capacity of clay rock

International Nuclear Information System (INIS)

Beaucaire, C.; Pearson, F.J.; Gautschi, A.

2004-01-01

The long-term performance of a nuclear waste repository is strongly dependent on the chemical properties of the host rock. The host rock establishes the chemical environment that determines such important performance attributes as radionuclide solubilities from the waste and the transport rates from the repository to the accessible environment. Clay-rich rocks are especially favourable host rocks because they provide a strong buffering capacity to resist chemical changes prompted either internally, by reactions of the waste itself and emplacement materials, or externally, by changes in the hydrologic systems surrounding the host rock. This paper will focus on three aspects of the stability of clay-rich host rocks: their ability to provide pCO 2 and redox buffering, and to resist chemical changes imposed by changes in regional hydrology and hydro-chemistry. (authors)

Estimated inventory of chemicals added to underground waste tanks, 1944--1975

International Nuclear Information System (INIS)

Allen, G.K.

1976-03-01

The five major chemical processes, the Bismuth Phosphate process, the Uranium Recovery process, the Redox process, the Purex process, and the Waste Fractionization process have each contributed to give the total Hanford waste chemicals. Each of these processes is studied to determine the total estimated chemicals stored in underground waste tanks. The chemical contents are derived mainly from flowsheet compositions and recorded waste volumes sent to underground storage. The major components and amounts of Hanford waste are sodium hydroxide, 230 million gram-moles (20 million pounds), sodium nitrate, 1400 million gram-moles (270 million pounds), sodium nitrite, 220 million gram-moles (34 million pounds), sodium aluminate, 400 million gram-moles (72 million pounds), and sodium phosphate, 87 million gram-moles (31 million pounds). Chemical analyses of the sludge and salt cake samples are tabulated to determine the chemical characteristics of the solids. A relative chemical toxicity of the Hanford underground waste tank chemicals is developed from maximum permissible chemical concentrations in air and water. The most toxic chemicals are assumed to be sodium phosphate--35%, sodium aluminate--28%, and chromium hydroxide--19%. If air standards set toxicity limits, the most toxic chemicals are bismuth--41%, chromium hydroxide--23%, and fluoride--10%

A simple method for determining the lattice parameter and chemical composition in ternary bcc-Fe rich nanocrystals

International Nuclear Information System (INIS)

Moya, Javier A.; Gamarra Caramella, Soledad; Marta, Leonardo J.; Berejnoi, Carlos

2015-01-01

Highlights: • A method for determining composition in ternary nanocrystals is presented. • X-ray diffraction and Mössbauer spectroscopy data were employed. • We perform theoretical charts for lattice parameter of Fe-rich ternary alloys. • A linear relationship in lattice parameter for binary alloys is evaluated. • A parabolic relationship is proposed for the Fe–Co–Si alloy. - Abstract: Charts containing lattice parameters of Fe 1−x (M,N) x ternary systems with M and N = Si, Al, Ge or Co, and 0 ⩽ x ⩽ ∼0.3, were developed by implementing a linear relationship between the respective binary alloys with the same solute content of the ternary one. Charts were validated with experimental data obtained from literature. For the Fe–Co–Si system, the linear relationship does not fit the experimental data. For the other systems (except the Fe–Co–Ge one where no experimental data was found), the lineal relationship constitute a very good approximation. Using these charts and the lattice parameter data obtained from X-ray diffraction technique combining with the solute content data obtained from Mössbauer spectroscopy technique it is possible to determine the chemical composition of nanograins in soft magnetic nanocomposite materials and some examples are provided

A simple method for determining the lattice parameter and chemical composition in ternary bcc-Fe rich nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Moya, Javier A., E-mail: jmoya.fi.uba@gmail.com [Grupo Interdisciplinario en Materiales-IESIING, Universidad Católica de Salta, INTECIN UBA-CONICET, Salta (Argentina); Gamarra Caramella, Soledad; Marta, Leonardo J. [Grupo Interdisciplinario en Materiales-IESIING, Universidad Católica de Salta, INTECIN UBA-CONICET, Salta (Argentina); Berejnoi, Carlos [Universidad Nacional de Salta, Facultad de Ingeniería, Salta (Argentina)

2015-05-15

Highlights: • A method for determining composition in ternary nanocrystals is presented. • X-ray diffraction and Mössbauer spectroscopy data were employed. • We perform theoretical charts for lattice parameter of Fe-rich ternary alloys. • A linear relationship in lattice parameter for binary alloys is evaluated. • A parabolic relationship is proposed for the Fe–Co–Si alloy. - Abstract: Charts containing lattice parameters of Fe{sub 1−x}(M,N){sub x} ternary systems with M and N = Si, Al, Ge or Co, and 0 ⩽ x ⩽ ∼0.3, were developed by implementing a linear relationship between the respective binary alloys with the same solute content of the ternary one. Charts were validated with experimental data obtained from literature. For the Fe–Co–Si system, the linear relationship does not fit the experimental data. For the other systems (except the Fe–Co–Ge one where no experimental data was found), the lineal relationship constitute a very good approximation. Using these charts and the lattice parameter data obtained from X-ray diffraction technique combining with the solute content data obtained from Mössbauer spectroscopy technique it is possible to determine the chemical composition of nanograins in soft magnetic nanocomposite materials and some examples are provided.

Experimental determination of the bulk temperature values in a nonisothermal flow of the chemically reacting nitrogen tetroxide

International Nuclear Information System (INIS)

Devojno, A.N.; Kolykhan, L.I.; Stepanenko, V.N.; Tverkovkin, B.E.; Uyutov, G.I.

1975-01-01

The technique and results of an experimental determination of mean mass temperatures of a cooled chemically active nitrogen tetroxide flowing in a circular tube under turbulent flow conditions are considered. The parameters range as follows: pressure-from 8.10 5 to 16.10 5 H/m 2 , flow temperature-from 140 deg to 550 deg C, Reynolds number-from 3,1.1g 5 , flow velocity-from 3.5 to 45 m/s. The gas temperature along the length of the test tube is measured with movable probe with a mixer and thermocouple in a stainless steel capillary 2mm in dia and the wall 0,2 mm thick. The mean-square deviations of measured temperature values from the predicted ones are about -0.9 and +1.8%. The obtained data show the predicted temperature values to be somewhat lower than the measured ones, the difference increasing with the distance to the test tube outlet. It may be explained by both unaccounted systematic experimental errors and errors in calculating the mean mass flow temperatures. The investigation described confirms the possibility of an experimental determination of the mean gas temperature along the cooled channel length by mean mass of a movable mixer with a single thermocouple

Comparison of Chemical and Physical-chemical Wastewater Discoloring Methods

Directory of Open Access Journals (Sweden)

Durašević, V.

2007-11-01

Full Text Available Today's chemical and physical-chemical wastewater discoloration methods do not completely meet demands regarding degree of discoloration. In this paper discoloration was performed using Fenton (FeSO4 . 7 H2O + H2O2 + H2SO4 and Fenton-like (FeCl3 . 6 H2O + H2O2 + HCOOH chemical methods and physical-chemical method of coagulation/flocculation (using poly-electrolyte (POEL combining anion active coagulant (modified poly-acrylamides and cationic flocculant (product of nitrogen compounds in combination with adsorption on activated carbon. Suitability of aforementioned methods was investigated on reactive and acid dyes, regarding their most common use in the textile industry. Also, investigations on dyes of different chromogen (anthraquinone, phthalocyanine, azo and xanthene were carried out in order to determine the importance of molecular spatial structure. Oxidative effect of Fenton and Fenton-like reagents resulted in decomposition of colored chromogen and high degree of discoloration. However, the problem is the inability of adding POEL in stechiometrical ratio (also present in physical-chemical methods, when the phenomenon of overdosing coagulants occurs in order to obtain a higher degree of discoloration, creating a potential danger of burdening water with POEL. Input and output water quality was controlled through spectrophotometric measurements and standard biological parameters. In addition, part of the investigations concerned industrial wastewaters obtained from dyeing cotton materials using reactive dye (C. I. Reactive Blue 19, a process that demands the use of vast amounts of electrolytes. Also, investigations of industrial wastewaters was labeled as a crucial step carried out in order to avoid serious misassumptions and false conclusions, which may arise if dyeing processes are only simulated in the laboratory.

Chemical vapor deposited fiber coatings and chemical vapor infiltrated ceramic matrix composites

Energy Technology Data Exchange (ETDEWEB)

Kmetz, M.A.

1992-01-01

Conventional Chemical Vapor Deposition (CVD) and Organometallic Chemical Vapor Deposition (MOCVD) were employed to deposit a series of interfacial coatings on SiC and carbon yarn. Molybdenum, tungsten and chromium hexacarbonyls were utilized as precursors in a low temperature (350[degrees]C) MOCVD process to coat SiC yarn with Mo, W and Cr oxycarbides. Annealing studies performed on the MoOC and WOC coated SiC yarns in N[sub 2] to 1,000[degrees]C establish that further decomposition of the oxycarbides occurred, culminating in the formation of the metals. These metals were then found to react with Si to form Mo and W disilicide coatings. In the Cr system, heating in N[sub 2] above 800[degrees]C resulted in the formation of a mixture of carbides and oxides. Convention CVD was also employed to coat SiC and carbon yarn with C, Bn and a new interface designated BC (a carbon-boron alloy). The coated tows were then infiltrated with SiC, TiO[sub 2], SiO[sub 2] and B[sub 4]C by a chemical vapor infiltration process. The B-C coatings were found to provide advantageous interfacial properties over carbon and BN coatings in several different composite systems. The effectiveness of these different coatings to act as a chemically inert barrier layer and their relationship to the degree of interfacial debonding on the mechanical properties of the composites were examined. The effects of thermal stability and strength of the coated fibers and composites were also determined for several difference atmospheres. In addition, a new method for determining the tensile strength of the as-received and coated yarns was also developed. The coated fibers and composites were further characterized by AES, SEM, XPS, IR and X-ray diffraction analysis.

6 CFR 27.200 - Information regarding security risk for a chemical facility.

Science.gov (United States)

2010-01-01

... chemical facility. 27.200 Section 27.200 Domestic Security DEPARTMENT OF HOMELAND SECURITY, OFFICE OF THE SECRETARY CHEMICAL FACILITY ANTI-TERRORISM STANDARDS Chemical Facility Security Program § 27.200 Information regarding security risk for a chemical facility. (a) Information to determine security risk. In order to...

Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures

Energy Technology Data Exchange (ETDEWEB)

Franco-Pérez, Marco, E-mail: qimfranco@hotmail.com, E-mail: jlgm@xanum.uam.mx [Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México D. F. 09340 (Mexico); Department of Chemistry, McMaster University, Hamilton, Ontario L8S 4M1 (Canada); Gázquez, José L., E-mail: qimfranco@hotmail.com, E-mail: jlgm@xanum.uam.mx [Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México D. F. 09340 (Mexico); Ayers, Paul W. [Department of Chemistry, McMaster University, Hamilton, Ontario L8S 4M1 (Canada); Vela, Alberto [Departamento de Química, Centro de Investigación y de Estudios Avanzados (Cinvestav), Av. Instituto Politécnico Nacional 2508, México D. F. 07360 (Mexico)

2015-10-21

We extend the definition of the electronic chemical potential (μ{sub e}) and chemical hardness (η{sub e}) to finite temperatures by considering a reactive chemical species as a true open system to the exchange of electrons, working exclusively within the framework of the grand canonical ensemble. As in the zero temperature derivation of these descriptors, the response of a chemical reagent to electron-transfer is determined by the response of the (average) electronic energy of the system, and not by intrinsic thermodynamic properties like the chemical potential of the electron-reservoir which is, in general, different from the electronic chemical potential, μ{sub e}. Although the dependence of the electronic energy on electron number qualitatively resembles the piecewise-continuous straight-line profile for low electronic temperatures (up to ca. 5000 K), the introduction of the temperature as a free variable smoothens this profile, so that derivatives (of all orders) of the average electronic energy with respect to the average electron number exist and can be evaluated analytically. Assuming a three-state ensemble, well-known results for the electronic chemical potential at negative (−I), positive (−A), and zero values of the fractional charge (−(I + A)/2) are recovered. Similarly, in the zero temperature limit, the chemical hardness is formally expressed as a Dirac delta function in the particle number and satisfies the well-known reciprocity relation with the global softness.

Identifying secondary structures in proteins using NMR chemical shift 3D correlation maps

Science.gov (United States)

Kumari, Amrita; Dorai, Kavita

2013-06-01

NMR chemical shifts are accurate indicators of molecular environment and have been extensively used as aids in protein structure determination. This work focuses on creating empirical 3D correlation maps of backbone chemical shift nuclei for use as identifiers of secondary structure elements in proteins. A correlated database of backbone nuclei chemical shifts was constructed from experimental structural data gathered from entries in the Protein Data Bank (PDB) as well as isotropic chemical shift values from the RefDB database. Rigorous statistical analysis of the maps led to the conclusion that specific correlations between triplets of backbone chemical shifts are best able to differentiate between different secondary structures such as α-helices, β-strands and turns. The method is compared with similar techniques that use NMR chemical shift information as aids in biomolecular structure determination and performs well in tests done on experimental data determined for different types of proteins, including large multi-domain proteins and membrane proteins.

Determination of molybdenite leaching degree by x-ray radiometric analysis

International Nuclear Information System (INIS)

Bibinov, S.A.; Gladyshev, V.P.; Yarmolik, A.S.; Kim, A.Ch.; Sokur, N.P.

1984-01-01

A express chemical X-ray radiometric method for determination of leaching degree and analysis of molybdenite products is developed. The method comprises chemical preparation and the following X-ray radiometric determination of molyb bdenum. Total duration of the analysis is 1-1.5 h. The best reproductivity is btained at X-ray radiometric analysis as compared with the chemical one

Quantitative Determination of Catechin as Chemical Marker in Pediatric Polyherbal Syrup by HPLC/DAD.

Science.gov (United States)

Sheikh, Zeeshan A; Siddiqui, Zafar A; Naveed, Safila; Usmanghani, Khan

2016-09-01

Vivabon syrup is a balanced composition of dietary ingredients of phytopharmaceutical nature for maintaining the physique, vigor, vitality and balanced growth of children. The herbal ingredients of pediatric syrup are rich in bioflavonoid, proteins, vitamins, glycosides and trace elements. Vivabon is formulated with herbal drugs such as Phoenix sylvestris, Emblica officinalis, Withania somnifera, Centella asiatica, Amomum subulatum, Zingiber officinalis, Trigonella foenum-graecum, Centaurea behen and Piper longum Catechins are flavan-3-ols that are found widely in the medicinal herbs and are utilized for anti-inflammatory, cardio protective, hepato-protective, neural protection and other biological activities. In general, the dietary intake of flavonoids has been regarded traditionally as beneficial for body growth. Standardization of Vivabon syrup dosage form using HPLC/DAD has been developed for quantitative estimation of Catechin as a chemical marker. The method was validated as per ICH guidelines. Validation studies demonstrated that the developed HPLC method is quite distinct, reproducible as well as quick and fast. The relatively high recovery and low comparable standard deviation confirm the suitability of the developed method for the determination of Catechin in syrup. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Chemical composition of lunar material.

Science.gov (United States)

Maxwell, J A; Abbey, S; Champ, W H

1970-01-30

Chemical and emission spectrographic analyses of three Apollo 11 samples, 10017-29, 10020-30, and 10084-132, are given. Major and minor constituents were determined both by conventional rock analysis methods and by a new composite scheme utilizing a lithium fluoborate method for dissolution of the samples and atomic absorption spectroscopy and colorimetry. Trace constituents were determined by optical emission spectroscopy involving a d-c arc, air-jet controlled.

Determination of physicochemical and optical parameters of xerogel layers for chemical sensing

Czech Academy of Sciences Publication Activity Database

Matějec, Vlastimil; Mrázek, Jan; Chomát, Miroslav; Skokánková, Jana; Raileanu, M.; Zaharescu, M.

2003-01-01

Roč. 12,3 P.IVSup.(2003), s. 1545-1554 ISSN 1224-9513. [Physical Chemistry Conference ROMPHYSCHEM /11./. Timisoara, 02.09.2003-05.09.2003] R&D Projects: GA ČR(CZ) GA102/02/0779; GA AV ČR(CZ) KSK2067107 Keywords : chemical sensor s * sol-gel processing * aerogels * gases Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

The Sensory Difference Threshold of Menthol Odor in Flavored Tobacco Determined by Combining Sensory and Chemical Analysis.

Science.gov (United States)

Krüsemann, Erna J Z; Cremers, Johannes W J M; Visser, Wouter F; Punter, Pieter H; Talhout, Reinskje

2017-03-01

Cigarettes are an often-used consumer product, and flavor is an important determinant of their product appeal. Cigarettes with strong nontobacco flavors are popular among young people, and may facilitate smoking initiation. Discriminating flavors in tobacco is important for regulation purposes, for instance to set upper limits to the levels of important flavor additives. We provide a simple and fast method to determine the human odor difference threshold for flavor additives in a tobacco matrix, using a combination of chemical and sensory analysis. For an example, the human difference threshold for menthol odor, one of the most frequently used tobacco flavors, was determined. A consumer panel consisting of 20 women compared different concentrations of menthol-flavored tobacco to unflavored cigarette tobacco using the 2-alternative forced choice method. Components contributing to menthol odor were quantified using headspace GC-MS. The sensory difference threshold of menthol odor corresponded to a mixture of 43 (37-50)% menthol-flavored tobacco, containing 1.8 (1.6-2.1) mg menthol, 2.7 (2.3-3.1) µg menthone, and 1.0 (0.9-1.2) µg neomenthyl acetate per gram of tobacco. Such a method is important in the context of the European Tobacco Product Directive, and the US Food and Drug Administration Tobacco Control Act, that both prohibit cigarettes and roll-your-own tobacco with a characterizing flavor other than tobacco. Our method can also be adapted for matrices other than tobacco, such as food. © The Author 2016. Published by Oxford University Press.

Direct determination of arsenic in soil samples by fast pyrolysis–chemical vapor generation using sodium formate as a reductant followed by nondispersive atomic fluorescence spectrometry

Energy Technology Data Exchange (ETDEWEB)

Duan, Xuchuan; Zhang, Jingya; Bu, Fanlong

2015-09-01

This new study shows for the first time that sodium formate can react with trace arsenic to form volatile species via fast pyrolysis – chemical vapor generation. We found that the presence of thiourea greatly enhanced the generation efficiency and eliminated the interference of copper. We studied the reaction temperature, the volume of sodium formate, the reaction acidity, and the carried argon rate using nondispersive atomic fluorescence spectrometry. Under optimal conditions of T = 500 °C, the volumes of 30% sodium formate and 10% thiourea were 0.2 ml and 0.05 ml, respectively. The carrier argon rate was 300 ml min{sup −1} and the detection limit and precision of arsenic were 0.39 ng and 3.25%, respectively. The amount of arsenic in soil can be directly determined by adding trace amount of hydrochloric acid as a decomposition reagent without any sample pretreatment. The method was successfully applied to determine trace amount of arsenic in two soil-certified reference materials (GBW07453 and GBW07450), and the results were found to be in agreement with certified reference values. - Highlights: • Sodium formate can react with trace arsenic to form volatile species via pyrolysis–chemical vapor generation. • Thiourea can enhance the generation efficiency and eliminate the interference of copper. • Arsenic in soil Sample can be directly determined without sample pretreatment.

Qualitative determination of chemical and nutritional composition of ...

African Journals Online (AJOL)

The oil has very high saponification value and hence would be useful in soap industry. Some simple reducing sugars, including lactose, were identified. Key words: Parkia bioglobosa, Qalitative determination, Industrial use, Saponification, underexploited. African Journal of Biotechnology Vol. 4 (8), pp. 812-815 ...

SELECTION OF CHEMICAL TREATMENT PROGRAM FOR OILY WASTEWATER

Directory of Open Access Journals (Sweden)

Miguel Díaz

2017-04-01

Full Text Available When selecting a chemical treatment program for wastewater to achieve an effective flocculation and coagulation is crucial to understand how individual colloids interact. The coagulation process requires a rapid mixing while flocculation process needs a slow mixing. The behavior of colloids in water is strongly influenced by the electrokinetic charge, where each colloidal particle carries its own charge, which in its nature is usually negative. Polymers, which are long chains of high molecular weight and high charge, when added to water begin to form longer chains, allowing removing numerous particles of suspended matter. A study of physico-chemical treatment by addition of coagulant and flocculant was carried out in order to determine a chemical program for oily wastewater coming from the gravity separation process in a crude oil refinery. The tests were carried out in a Jar Test equipment, where commercial products: aluminum polychloride (PAC, aluminum sulfate and Sintec D50 were evaluated with five different flocculants. The selected chemical program was evaluated with fluids at three temperatures to know its sensitivity to this parameter and the mixing energy in the coagulation and flocculation. The chemical program and operational characteristics for physico-chemical treatment with PAC were determined, obtaining a removal of more than 93% for suspended matter and 96% for total hydrocarbons for the selected coagulant / flocculant combination.

[Chemical weapons and chemical terrorism].

Science.gov (United States)

Nakamura, Katsumi

2005-10-01

Chemical Weapons are kind of Weapons of Mass Destruction (WMD). They were used large quantities in WWI. Historically, large quantities usage like WWI was not recorded, but small usage has appeared now and then. Chemical weapons are so called "Nuclear weapon for poor countrys" because it's very easy to produce/possession being possible. They are categorized (1) Nerve Agents, (2) Blister Agents, (3) Cyanide (blood) Agents, (4) Pulmonary Agents, (5) Incapacitating Agents (6) Tear Agents from the viewpoint of human body interaction. In 1997 the Chemical Weapons Convention has taken effect. It prohibits chemical weapons development/production, and Organization for the Prohibition of Chemical Weapons (OPCW) verification regime contributes to the chemical weapons disposal. But possibility of possession/use of weapons of mass destruction by terrorist group represented in one by Matsumoto and Tokyo Subway Sarin Attack, So new chemical terrorism countermeasures are necessary.

Uncoated microcantilevers as chemical sensors

Science.gov (United States)

Thundat, Thomas G.

2001-01-01

A method and device are provided for chemical sensing using cantilevers that do not use chemically deposited, chemically specific layers. This novel device utilizes the adsorption-induced variation in the surfaces states on a cantilever. The methodology involves exciting charge carriers into or out of the surface states with photons having increasing discrete levels of energy. The excitation energy is provided as discrete levels of photon energy by scanning the wavelength of an exciting source that is illuminating the cantilever surface. When the charge carriers are excited into or out of the surface states, the cantilever bending changes due to changes in surface stress. The amount of cantilever bending with respect to an identical cantilever as a function of excitation energy is used to determine the energy levels associated with adsorbates.

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...

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.

Incorporation of chemical kinetic models into process control

International Nuclear Information System (INIS)

Herget, C.J.; Frazer, J.W.

1981-01-01

An important consideration in chemical process control is to determine the precise rationing of reactant streams, particularly when a large time delay exists between the mixing of the reactants and the measurement of the product. In this paper, a method is described for incorporating chemical kinetic models into the control strategy in order to achieve optimum operating conditions. The system is first characterized by determining a reaction rate surface as a function of all input reactant concentrations over a feasible range. A nonlinear constrained optimization program is then used to determine the combination of reactants which produces the specified yield at minimum cost. This operating condition is then used to establish the nominal concentrations of the reactants. The actual operation is determined through a feedback control system employing a Smith predictor. The method is demonstrated on a laboratory bench scale enzyme reactor

Simplified sample treatment for the determination of total concentrations and chemical fractionation forms of Ca, Fe, Mg and Mn in soluble coffees.

Science.gov (United States)

Pohl, Pawel; Stelmach, Ewelina; Szymczycha-Madeja, Anna

2014-11-15

A simpler, and faster than wet digestion, sample treatment was proposed prior to determination of total concentrations for selected macro- (Ca, Mg) and microelements (Fe, Mn) in soluble coffees by flame atomic absorption spectrometry. Samples were dissolved in water and acidified with HNO3. Precision was in the range 1-4% and accuracy was better than 2.5%. The method was used in analysis of 18 soluble coffees available on the Polish market. Chemical fractionation patterns for Ca, Fe, Mg and Mn in soluble coffees, as consumed, using a two-column solid-phase extraction method, determined Ca, Mg and Mn were present predominantly as cations (80-93% of total content). This suggests these elements are likely to be highly bioaccessible. Copyright © 2014 Elsevier Ltd. All rights reserved.

Use of the enhanced frog embryo teratogenesis assay-Xenopus (FETAX) to determine chemically-induced phenotypic effects.

Science.gov (United States)

Hu, Lingling; Zhu, Jingmin; Rotchell, Jeanette M; Wu, Lijiao; Gao, Jinjuan; Shi, Huahong

2015-03-01

The frog embryo teratogenesis assay-Xenopus (FETAX) is an established method for the evaluation of the developmental toxicities of chemicals. To develop an enhanced FETAX that is appropriate for common environmental contaminants, we exposed Xenopus tropicalis embryos to eight compounds, including tributyltin, triphenyltin, CdCl2, pyraclostrobin, picoxystrobin, coumoxystrobin, all-trans-retinoic acid and 9-cis-retinoic acid. Multiple malformations were induced in embryos particularly following exposure to tributyltin, triphenyltin and pyraclostrobin at environmentally relevant concentrations. Based on the range of observed malformations, we proposed a phenotypic assessment method with 20 phenotypes and a 0-5 scoring system. This derived index exhibited concentration-dependent relationships for all of the chemicals tested. Furthermore, the phenotype profiles were characteristic of the different tested chemicals. Our results indicate that malformation phenotypes can be quantitatively integrated with the primary endpoints in conventional FETAX assessments to allow for increased sensitivity and measurement of quantitative effects and to provide indicative mechanistic information for each tested chemical. Copyright © 2014 Elsevier B.V. All rights reserved.

DOE contractor's meeting on chemical toxicity

International Nuclear Information System (INIS)

1987-01-01

The Office of Health and Environmental Research (OHER) is required to determine the potential health and environmental effects associated with energy production and use. To ensure appropriate communication among investigators and scientific disciplines that these research studies represent, OHER has sponsored workshops. This document provides a compilation of activities at the Third Annual DOE/OHER Workshop. This year's workshop was broadened to include all OHER activities identified as within the chemical effects area. The workshop consisted of eight sessions entitled Isolation and Detection of Toxic chemicals; Adduct Formation and Repair; Chemical Toxicity (Posters); Metabolism and Genotoxicity; Inhalation Toxicology; Gene Regulation; Metals Toxicity; and Biological Mechanisms. This document contains abstracts of the information presented by session

The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer.

Directory of Open Access Journals (Sweden)

Lei Chen

Full Text Available Lung cancer causes over one million deaths every year worldwide. However, prevention and treatment methods for this serious disease are limited. The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments. This study employed a weighted network, constructed using chemical-chemical interaction information, to identify new chemicals related to two types of lung cancer: non-small lung cancer and small-cell lung cancer. Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections. A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer.

Chemical composition and antifungal activity of essential oils of ...

African Journals Online (AJOL)

The aim of this study was to determine the chemical composition of the essential oils of Algerian citrus. They were extracted by hydrodistillation from the leaves of citrus species (orange, Bigaradier, mandarin and lemon), using gas chromatography/mass spectrometry (GC/MS). Their chemical composition and antifungal ...

PENENTUAN KOMPOSISI KIMIA ABU VULKANIK DARI ERUPSI GUNUNG MERAPI (Determination of Chemical Composition of Volcanic Ash from Merapi Mt. Eruption

Directory of Open Access Journals (Sweden)

Endang Tri Wahyuni

2012-07-01

 In order to identify the utilizing potential and the environmental effect of ash from Merapi Mount eruption in 2010, determination of its chemical composition has been performed, including major, minor and trace elements. In addition,  pH of the ash, and iron concentration in rivers, wells, and  tower for water collection were also determined. The ash samples was taken in December 2010- January 2011, after the eruption stopped, located in Magelang, Sleman, and Klaten regions, in various distances from the summit.The results of the determination show that the Merapi Mt. ash contains major (Al, Si, Ca, and  Fe, minor (K, Mg, Mn, Na, P, S, and Ti, and  trace elements (Au ,As, Ba, Co, Cr, Cu, Mo, Ni, Pb, S, Sb, Sn, Sr, V, Zn, dan Zr.   The elements can be categorized into  widely used elements, i.e.   Al, Si, Ca, Fe, Ti, V, and  Zn, and economic high value element,  i.e.  Au, as well as  the environment and health negative affect elements  such as As, Cr, Cr, Cu, Pb, Ni, and S. It is also found that the  ash taken from different locations with farther distances from the mountain, has similar chemical composition.  Moreover, based on the large content of Al, Ca, and  Si  (around 56%, 4%, and  18 %respectively,  enabling the ash to be used as raw material for  cement or other cement based materials production. In addition, since Ti and Fe is also found in adequate level in the ash, it is also possible to extract the metals to get the pure one having wide and valuable functions. The presence of K and P, as fertilizer components, in the ash with significant amount, it is also interesting to evaluate the effect of the ash covering the soil on its fertile. However, the low pH of the ash is also observed that is due  to the presence of S in considerable amount, leading to the soil becomes unfertile. Although the hazard heavy (Pb, Cd, Cr, Cu, and Ni are found in the ash, the contamination of the metals in the rivers and wells are not detected

Chemical sensing underclothing system for testing PPE

International Nuclear Information System (INIS)

Slabotinsky, J.; Kralik, L.; Bradka, S.; Castulik, P.

2009-01-01

Personal protective equipment (PPE) when worn is subjected to pressure differentials across the garment due to ambient wind flow, by body movement and breathing creating the bellows effect, which may force hazardous chemicals vapor or aerosol through the closures, joints, outlet valves and/or clothing protective fabric. Thus the design, fit, size or improper donning of the protective garment will influence chemical-agent penetration. In order to determine penetration of chemical-protective garments by chemical vapor or aerosol, it is necessary to test the entire suit system, including seams, closures, outlet valves and areas of transition with other protective equipment, that is, at the ankles, waist, wrists, neck etc. In order to identify penetration of chemical vapor or aerosol through protective assembly, the Man-in-Simulant Test (MIST) with passive adsorptive devices (PADs) is used, when adsorbed challenging agent (simulant) is desorbed from the PAD and quantified. The current MIST method is failing in complexity of leak detection, due to limited number of passive collection points fixed on human body or a mannequin and very labor extensive work associated with allocation of 20-40 PADs and quantification of adsorbed agent. The Czech approach to detect and quantify penetration/permeation of chemical agent is based on chemical sensing underclothing enable to change the color when exposed with simulant or even with real CW agent. Color intensity and shape of stains on sensing fabric are processed with Laboratory Universal Computer Image Analysis (LUCIA) allowing determining the quantity and the allocation of the penetrating noxious agent(s). This method allows for example calculate individual doses of exposure, the breakthrough coefficient of protective garment as whole and uniquely precise allocation of penetration/permeation shortfalls. Presentation is providing detailed description of imaging system with nickname 'LUCY' in combination with testing mannequin

Chemical composition of stars in Ruprecht 106 .

Science.gov (United States)

François, P.

High resolution spectra of 9 stars belonging to the globular cluster Rup 106 have been used to determine their chemical composition. The results reveal that Ruprecht 106 exhibits abundance anomalies when compared to galactic globular cluster of similar metallicity. The chemical composition of these stars is similar to what is found in Dwarf spheroidal galaxies favoring the hypothesis that Rup 106 has not been formed in our Galaxy.

Trends of chemical monitoring in power stations

International Nuclear Information System (INIS)

Winkler, R.; Venz, H.

1983-01-01

Frequently, the state-of-the-art of chemical monitoring in power plants is still determined by conservative methods. A thorough rationalization requires not only modern analytical procedures, but also the consideration of chemically affected processes in complex process analyses and the combination of automatic analyzers with available process computers. Using some examples, ways of reducing monitoring efforts without impairing safety and economy of nuclear power plant operation are pointed out. (author)

Structure and behavior as determinants: United States nuclear test ban and chemical and biological arms control policy

International Nuclear Information System (INIS)

Reich, J.C.

1991-01-01

US efforts to control chemical and biological warfare and nuclear testing are examined with the aim of explaining the paucity of US backed agreements in these areas. Two theoretical perspectives, the behavioral and structural approaches, are used to explore US arms control outcomes. In the behavioral approach, the effects of governmental organization and the bargaining dynamics of policy-making elites with different cognitive styles are posited as important influences on US nuclear test ban and chemical and biological arms control policy outcomes. The behavioral perspective accounts for the timing of all US failed and successful entries (with one exception) into nuclear test bans and chemical and biological warfare restraints. A shortcoming of the behavior approach, however, is that it tends to overemphasize the chances for successful US entry into nuclear test and chemical and biological warfare limitations. Analysis of the same events from the structural perspective helps to correct for expectations generated by behavioral variables for a higher success rate than ultimately resulted. In the structural approach, the focus is on the effect of the organization of international politics on US nuclear test ban and chemical and biological arms control policy outcomes

Electrothermal atomic absorption spectrometric determination of copper in nickel-base alloys with various chemical modifiers*1

Science.gov (United States)

Tsai, Suh-Jen Jane; Shiue, Chia-Chann; Chang, Shiow-Ing

1997-07-01

The analytical characteristics of copper in nickel-base alloys have been investigated with electrothermal atomic absorption spectrometry. Deuterium background correction was employed. The effects of various chemical modifiers on the analysis of copper were investigated. Organic modifiers which included 2-(5-bromo-2-pyridylazo)-5-(diethylamino-phenol) (Br-PADAP), ammonium citrate, 1-(2-pyridylazo)-naphthol, 4-(2-pyridylazo)resorcinol, ethylenediaminetetraacetic acid and Triton X-100 were studied. Inorganic modifiers palladium nitrate, magnesium nitrate, aluminum chloride, ammonium dihydrogen phosphate, hydrogen peroxide and potassium nitrate were also applied in this work. In addition, zirconium hydroxide and ammonium hydroxide precipitation methods have also been studied. Interference effects were effectively reduced with Br-PADAP modifier. Aqueous standards were used to construct the calibration curves. The detection limit was 1.9 pg. Standard reference materials of nickel-base alloys were used to evaluate the accuracy of the proposed method. The copper contents determined with the proposed method agreed closely with the certified values of the reference materials. The recoveries were within the range 90-100% with relative standard deviation of less than 10%. Good precision was obtained.

Method for accurate determination of dissociation constants of optical ratiometric systems: chemical probes, genetically encoded sensors, and interacting molecules.

Science.gov (United States)

Pomorski, Adam; Kochańczyk, Tomasz; Miłoch, Anna; Krężel, Artur

2013-12-03

Ratiometric chemical probes and genetically encoded sensors are of high interest for both analytical chemists and molecular biologists. Their high sensitivity toward the target ligand and ability to obtain quantitative results without a known sensor concentration have made them a very useful tool in both in vitro and in vivo assays. Although ratiometric sensors are widely used in many applications, their successful and accurate usage depends on how they are characterized in terms of sensing target molecules. The most important feature of probes and sensors besides their optical parameters is an affinity constant toward analyzed molecules. The literature shows that different analytical approaches are used to determine the stability constants, with the ratio approach being most popular. However, oversimplification and lack of attention to detail results in inaccurate determination of stability constants, which in turn affects the results obtained using these sensors. Here, we present a new method where ratio signal is calibrated for borderline values of intensities of both wavelengths, instead of borderline ratio values that generate errors in many studies. At the same time, the equation takes into account the cooperativity factor or fluorescence artifacts and therefore can be used to characterize systems with various stoichiometries and experimental conditions. Accurate determination of stability constants is demonstrated utilizing four known optical ratiometric probes and sensors, together with a discussion regarding other, currently used methods.

PHYSICO-CHEMICAL DETERMINATION OF CARBOHYDRATES IN THE FOODS AND BEVERAGES

Directory of Open Access Journals (Sweden)

I. I. Korenman

2014-01-01

Full Text Available Summary. The extraction of fructose, glucose, galactose, sucrose and lactose from aqueous salt solutions, hydrophilic solvents (aliphatic alcohols, alkyl acetates, ketones of double and triple mixtures has been studied. Under identical conditions set quantitative characteristics extraction has been established. It was found that from the all studied carbohydrateы most fully extracted disaccharides lactose and sucrose. The conditions of concentration and almost complete recovery of carbohydrates from aqueous salt solutions has beenoptimized. The technique of extraction-potentiometric selective determination of carbohydrates in foods and beverages has been developed. As a titrant was used isopropanol solution of boric acid. The developed method allows to determine separately the mono- or disaccharides in milk, which include those contained 5 or less carbohydrates. The complex of photocolorimetric, polarimetric, potentiometric and chromatographic methods for determining carbohydrates in aqueous media and food (diabetic confectionery, juices, dairy products, honey wasproposed. To determine the fructose, glucose and sucrose in natural juices us used optical methods (photoelectrocolorimeters, polarimetry. Method is express, does not require expensive equipment and reagents. Fructose and sucrose in diabetic confectionery was determined by ascending thin layer chromatography. Some diabetic products based on fructose, produced by Russian confectionery factorieshas beenanalyzed. Duration analysis, 50-60 minutes, selective determination of error within 5-7%. Extracts from honey and milk were analyzed potentiometrically. We have developed a technique characterized by the following advantages compared with state standards: rapidity (analysis time 30-35 min, accuracy (relative error within 5 %, does not require expensive equipment and reagents, as well as dilution and filtration of milk stage sampling.

Organic chemical aging mechanisms: An annotated bibliography. Waste Tank Safety Program

Energy Technology Data Exchange (ETDEWEB)

Samuels, W.D.; Camaioni, D.M.; Nelson, D.A.

1993-09-01

An annotated bibliography has been compiled of the potential chemical and radiological aging mechanisms of the organic constituents (non-ferrocyanide) that would likely be found in the UST at Hanford. The majority of the work that has been conducted on the aging of organic chemicals used for extraction and processing of nuclear materials has been in conjunction with the acid or PUREX type processes. At Hanford the waste being stored in the UST has been stabilized with caustic. The aging factors that were used in this work were radiolysis, hydrolysis and nitrite/nitrate oxidation. The purpose of this work was two-fold: to determine whether or not research had been or is currently being conducted on the species associated with the Hanford UST waste, either as a mixture or as individual chemicals or chemical functionalities, and to determine what areas of chemical aging need to be addressed by further research.

Determination of mercury in drinking water

International Nuclear Information System (INIS)

Anand, S.J.S.

1976-01-01

Determination of mercury in drinking water samples have been carried out by neutron activation followed by chemical separation. The chemical analysis is necessary as the levels of mercury in these samples are quite low and activities of sodium, copper etc. interfere in its determination by direct spectroscopy. Solvent extraction separation offers speed and complete separation from interfering activities. Some of drinking water samples collected at Trombay have been analysed and their result are given in this paper. The procedure was checked with 197 Hg tracer and the reproducibility of the procedure is within 5%. It was free from contamination due to the activities of Cu, Na etc. The time of analysis was 15 minutes, and upto 5 samples could be analysed conveniently at a time. The average chemical yield was 72%. (T.I.)

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...

Chemical and nuclear properties of lawrencium (element 103) and hahnium (element 105)

International Nuclear Information System (INIS)

Henderson, R.A.

1990-01-01

The chemical and nuclear properties of Lr and Ha have been studied, using 3-minute 260 Lr and 35-second 262 Ha. The crystal ionic radius of Lr 3+ was determined by comparing its elution position from a cation-exchange resin column with those of lanthanide elements having known ionic radii. Comparisons are made to the ionic radii of the heavy actinides, Am 3+ through Es 3+ , obtained by x-ray diffraction methods, and to Md 3+ and Fm 3+ which were determined in the same manner as Lr 3+ . The hydration enthalpy of -3622 kJ/mol was calculated from the crystal ionic radius using an empirical form of the Born equation. Comparisons to the spacings between the ionic radii of the heaviest members of the lanthanide series show that the 2Z spacing between Lr 3+ and Md 3+ is anomalously small, as the ionic radius of Lr 3+ of 0.0886 nm is significantly smaller than had been expected. The chemical properties of Ha were determined relative to the lighter homologs in group 5, Nb and Ta. Group 4 and group 5 tracer activities, as well as Ha, were absorbed onto glass surfaces as a first step toward the determination of the chemical properties of Ha. Ha was found to adsorb on surfaces, a chemical property unique to the group 5 elements, and as such demonstrates that Ha has the chemical properties of a group 5 element. A solvent extraction procedure was adapted for use as a micro-scale chemical procedure to examine whether or not Ha displays eka-Ta-like chemical under conditions where Ta will be extracted into the organic phase and Nb will not. Under the conditions of this experiment Ha did not extract, and does not show eka-Ta-like chemical properties

Investigation of the Anti-Melanogenic and Antioxidant Characteristics of Eucalyptus camaldulensis Flower Essential Oil and Determination of Its Chemical Composition

Science.gov (United States)

Huang, Huey-Chun; Ho, Ya-Chi; Lim, Jia-Min; Chang, Tzu-Yun; Ho, Chen-Lung; Chang, Tsong-Min

2015-01-01

The effects of essential oil from Eucalyptus camaldulensis flowers oil on melanogenesis and the oil’s antioxidant characteristics were investigated. Assays of mushroom and cellular tyrosinase activities and melanin content of mouse melanoma cells were performed spectrophotometrically, and the expression of melanogenesis-related proteins was determined by Western blotting. The possible signaling pathways involved in essential oil-mediated depigmentation were also investigated using specific protein kinase inhibitors. The results revealed that E. camaldulensis flower essential oil effectively suppresses intracellular tyrosinase activity and decreases melanin amount in B16F10 mouse melanoma cells. The essential oil also exhibits antioxidant properties and effectively decreases intracellular reactive oxygen species (ROS) levels. The volatile chemical composition of the essential oil was analyzed with gas chromatography–mass spectrometry (GC/MS). The chemical constituents in the essential oil are predominately oxygenated monoterpenes (34.9%), followed by oxygenated sesquiterpenes (31.8%), monoterpene hydrocarbons (29.0%) and sesquiterpene hydrocarbons (4.3%). Our results indicated that E. camaldulensis flower essential oil inhibits melanogenesis through its antioxidant properties and by down-regulating both mitogen-activated protein kinases (MAPK) and protein kinase A (PKA) signaling pathways. The present study indicates that the essential oil has the potential to be developed into a skin care product. PMID:25961954

Functional Fit Evaluation to Determine Optimal Ease Requirements in Canadian Forces Chemical Protective Gloves

National Research Council Canada - National Science Library

Tremblay-Lutter, Julie

1995-01-01

A functional fit evaluation of the Canadian Forces (CF) chemical protective lightweight glove was undertaken in order to quantify the amount of ease required within the glove for optimal functional fit...

Minimizing employee exposure to toxic chemical releases

International Nuclear Information System (INIS)

Plummer, R.W.; Stobbe, T.J.; Mogensen, J.E.; Jeram, L.K.

1987-01-01

This book describes procedures for minimizing employee exposure to toxic chemical releases and suggested personal protective equipment (PPE) to be used in the event of such chemical release. How individuals, employees, supervisors, or companies perceive the risks of chemical exposure (risk meaning both probability of exposure and effect of exposure) determines to a great extent what precautions are taken to avoid risk. In Part I, the authors develop and approach which divides the project into three phases: kinds of procedures currently being used; the types of toxic chemical release accidents and injuries that occur; and, finally, integration of this information into a set of recommended procedures which should decrease the likelihood of a toxic chemical release and, if one does occur, will minimize the exposure and its severity to employees. Part II covers the use of personal protective equipment. It addresses the questions: what personal protective equipment ensembles are used in industry in situations where the release of a toxic or dangerous chemical may occur or has occurred; and what personal protective equipment ensembles should be used in these situations

Evaluation of a chemical risk assessment method of South Korea for chemicals classified as carcinogenic, mutagenic or reprotoxic (CMR).

Science.gov (United States)

Kim, Min-Uk; Byeon, Sang-Hoon

2017-12-12

Chemicals were used in various fields by the development of industry and science and technology. The Chemical Hazard Risk Management (CHARM) was developed to assess the risk of chemicals in South Korea. In this study, we were to evaluate the CHARM model developed for the effective management of workplace chemicals. We used 59 carcinogenic, mutagenic or reprotoxic (CMR) materials, which are both the work environment measurement result and the usage information among the manufacturer data. The CHARM model determines the risk to human health using the exposure level (based on working environment measurements or a combination of the quantity used and chemical physical properties (e.g., fugacity and volatility)), hazard (using occupational exposure limit (OEL) or Risk phrases (R-phrases)/Hazard statements (H-statements) from the Material Safety Data Sheet (MSDS)). The risk level was lower when using the results of the work environment measurement than when applying the chemical quantity and physical properties in the exposure level evaluation method. It was evaluated as grade 4 for the CMR material in the hazard class determination. The risk assessment method by R-phrases was evaluated more conservatively than the risk assessment method by OEL. And the risk assessment method by H-statements was evaluated more conservatively than the risk assessment method by R-phrases. The CHARM model was gradually conservatively assessed as it proceeded in the next step without quantitative information for individual workplaces. The CHARM is expected to help identify the risk if the hazards and exposure levels of chemicals were identified in individual workplaces. For CMR substances, although CHARM is highly evaluated for hazards, the risk is assessed to be low if exposure levels are assessed low. When evaluating the risk of highly hazardous chemicals such as CMR substances, we believe the model should be adapted to be more conservative and classify these as higher risk. This work is

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.

Chemical dosimetry system for criticality accidents.

Science.gov (United States)

Miljanić, Saveta; Ilijas, Boris

2004-01-01

Ruder Bosković Institute (RBI) criticality dosimetry system consists of a chemical dosimetry system for measuring the total (neutron + gamma) dose, and a thermoluminescent (TL) dosimetry system for a separate determination of the gamma ray component. The use of the chemical dosemeter solution chlorobenzene-ethanol-trimethylpentane (CET) is based on the radiolytic formation of hydrochloric acid, which protonates a pH indicator, thymolsulphonphthalein. The high molar absorptivity of its red form at 552 nm is responsible for a high sensitivity of the system: doses in the range 0.2-15 Gy can be measured. The dosemeter has been designed as a glass ampoule filled with the CET solution and inserted into a pen-shaped plastic holder. For dose determinations, a newly constructed optoelectronic reader has been used. The RBI team took part in the International Intercomparison of Criticality Accident Dosimetry Systems at the SILENE Reactor, Valduc, June 2002, with the CET dosimetry system. For gamma ray dose determination TLD-700 TL detectors were used. The results obtained with CET dosemeter show very good agreement with the reference values.

Lightweight autonomous chemical identification system (LACIS)

Science.gov (United States)

Lozos, George; Lin, Hai; Burch, Timothy

2012-06-01

Smiths Detection and Intelligent Optical Systems have developed prototypes for the Lightweight Autonomous Chemical Identification System (LACIS) for the US Department of Homeland Security. LACIS is to be a handheld detection system for Chemical Warfare Agents (CWAs) and Toxic Industrial Chemicals (TICs). LACIS is designed to have a low limit of detection and rapid response time for use by emergency responders and could allow determination of areas having dangerous concentration levels and if protective garments will be required. Procedures for protection of responders from hazardous materials incidents require the use of protective equipment until such time as the hazard can be assessed. Such accurate analysis can accelerate operations and increase effectiveness. LACIS is to be an improved point detector employing novel CBRNE detection modalities that includes a militaryproven ruggedized ion mobility spectrometer (IMS) with an array of electro-resistive sensors to extend the range of chemical threats detected in a single device. It uses a novel sensor data fusion and threat classification architecture to interpret the independent sensor responses and provide robust detection at low levels in complex backgrounds with minimal false alarms. The performance of LACIS prototypes have been characterized in independent third party laboratory tests at the Battelle Memorial Institute (BMI, Columbus, OH) and indoor and outdoor field tests at the Nevada National Security Site (NNSS). LACIS prototypes will be entering operational assessment by key government emergency response groups to determine its capabilities versus requirements.

Chemical aspects of hydrogen ingress in zirconium and zircaloy pressure tubes: ageing management of Indian PHWR coolant channels - determination of hydrogen and deuterium

International Nuclear Information System (INIS)

Sayi, Y.S.; Shankaran, P.S.; Yadav, C.S.; Ramanjaneyulu, P.S.; Venugopal, V.; Ramakumar, K.L.; Chhapru, G.C.; Prasad, R.; Jain, H.C.; Sood, D.D.

2009-02-01

Pressurized heavy water reactors (PHWRs) use zirconium and zirconium based alloys as clad and coolant tubes since its beginning. The first ever zircaloy-2 pressure tube failure occurred in 1983 at Ontario Hydro's Pickering Unit 2 in Canada which necessitated a thorough examination of causes of such failure. The failure was attributed to massive hydriding at the failed spot of pressure tube. Continuous usage of zirconium alloys could result in their hydrogen and deuterium pick-up leading to hydrogen/ deuterium embrittlement. The life of the zircaloy coolant channels is dictated by hydrogen/deuterium content and hence ageing management of the pressure tubes is essential for ensuring their trouble-free usage. It is desirable to have a sound knowledge on the chemical aspects of zirconium and zirconium based alloys metallurgy, the mechanistic principles of hydrogen ingress into the pressure tubes during in reactor service, and identifying suitable analytical methodologies for precise and accurate determination of hydrogen in wafer thin sliver samples carved out from insides of pressure tubes without causing any structural damage so that it can continue to remain in service. This is desirable so that the ageing management does not result in cost-escalation. This report is divided in to three main parts. The first part deals with the chemical aspects of zirconium and zirconium based alloy metallurgy, the mechanism of hydrogen pick-up and hydride formation in zirconium matrix. The second part describes various methodologies and their limitations, available for hydrogen/deuterium determination. The third part deals in detail, about the extensive investigations carried out at Radioanalytical Chemistry Division (RACD) in Radiochemistry and Isotope Group for establishing an indigenously developed hot vacuum extraction system in combination with quadrupole mass spectrometry for precise determination of hydrogen and deuterium in wafer thin sliver sample of zircaloy. The

Physico-chemical and bacteriological quality of rainwater in Egbema ...

African Journals Online (AJOL)

Physico-chemical and bacteriological quality of rainwater in Egbema was determined with samples harvested directly, from zinc roof, thatched roof and asbestos roof, at different periods of the rainy season namely, Early, peak and late rains. The values of the physico-chemical parameters were on the higher side at the early ...

Priority Environmental Chemical Contaminants in Meat

Science.gov (United States)

Brambilla, Gianfranco; Iamiceli, Annalaura; di Domenico, Alessandro

Generally, foods of animal origin play an important role in determining the exposure of human beings to contaminants of both biological and chemical origins (Ropkins & Beck, 2002; Lievaart et al., 2005). A potentially large number of chemicals could be considered, several of them deserving a particular attention due to their occurrence (contaminations levels and frequencies) and intake scenarios reflecting the differences existing in the economical, environmental, social and ecological contexts in which the “from-farm-to-fork” activities related to meat production are carried out (FAO - Food and Agriculture Organization, 2008).

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)

Applicability of federal and state hazardous waste regulatory programs to waste chemical weapons and chemical warfare agents.; TOPICAL

International Nuclear Information System (INIS)

Haffenden, R.; Kimmell, T.

2002-01-01

This report reviews federal and state hazardous waste regulatory programs that govern the management of chemical weapons or chemical warfare agents. It addresses state programs in the eight states with chemical weapon storage facilities managed by the U.S. Army: Alabama, Arkansas, Colorado, Indiana, Kentucky, Maryland, Oregon, and Utah. It also includes discussions on 32 additional states or jurisdictions with known or suspected chemical weapons or chemical warfare agent presence (e.g., disposal sites containing chemical agent identification sets): Alaska, Arizona, California, Florida, Georgia, Hawaii, Idaho, Illinois, Iowa, Kansas, Louisiana, Massachusetts, Michigan, Mississippi, Missouri, Nebraska, Nevada, New Jersey, New Mexico, New York, North Carolina, Ohio, Pennsylvania, South Carolina, South Dakota, Tennessee, Texas, the U.S. Virgin Islands, Virginia, Washington, Washington, D.C., and Wyoming. Resource Conservation and Recovery Act (RCRA) hazardous waste programs are reviewed to determine whether chemical weapons or chemical warfare agents are listed hazardous wastes or otherwise defined or identified as hazardous wastes. Because the U.S. Environmental Protection Agency (EPA) military munitions rule specifically addresses the management of chemical munitions, this report also indicates whether a state has adopted the rule and whether the resulting state regulations have been authorized by EPA. Many states have adopted parts or all of the EPA munitions rule but have not yet received authorization from EPA to implement the rule. In these cases, the states may enforce the adopted munitions rule provisions under state law, but these provisions are not federally enforceable

Quantification of iopamidol multi-site chemical exchange properties for ratiometric chemical exchange saturation transfer (CEST) imaging of pH

International Nuclear Information System (INIS)

Sun, Phillip Zhe; Longo, Dario Livio; Hu, Wei; Xiao, Gang; Wu, Renhua

2014-01-01

pH-sensitive chemical exchange saturation transfer (CEST) MRI holds great promise for in vivo applications. However, the CEST effect depends on not only exchange rate and hence pH, but also on the contrast agent concentration, which must be determined independently for pH quantification. Ratiometric CEST MRI normalizes the concentration effect by comparing CEST measurements of multiple labile protons to simplify pH determination. Iopamidol, a commonly used x-ray contrast agent, has been explored as a ratiometric CEST agent for imaging pH. However, iopamidol CEST properties have not been solved, determination of which is important for optimization and quantification of iopamidol pH imaging. Our study numerically solved iopamidol multi-site pH-dependent chemical exchange properties. We found that iopamidol CEST MRI is suitable for measuring pH between 6 and 7.5 despite that T 1 and T 2 measurements varied substantially with pH and concentration. The pH MRI precision decreased with pH and concentration. The standard deviation of pH determined from MRI was 0.2 and 0.4 pH unit for 40 and 20 mM iopamidol solution of pH 6, and it improved to be less than 0.1 unit for pH above 7. Moreover, we determined base-catalyzed chemical exchange for 2-hydrooxypropanamido (k sw = 1.2*10 pH−4.1 ) and amide (k sw = 1.2*10 pH−4.6 ) protons that are statistically different from each other (P < 0.01, ANCOVA), understanding of which should help guide in vivo translation of iopamidol pH imaging. (paper)

Determination of the capabilities of a detachment for neutralizing chemical attack effects in the brigade defense zone

Directory of Open Access Journals (Sweden)

Dejan R. Inđić

2012-04-01

Full Text Available This paper presents one possible way of deploying detachments for neutralizing the effects of chemical attacks in a brigade defense zone. The detachment composition is provisional and depends on the assessment of whether the enemy in the incoming combat will use weapons of mass destruction. A detachment consists of several organizational units: medical care forces, chemical reconnaissance forces, forces for the establishment of combat efficiency and chemical decontamination forces. The capabilities of the mentioned forces depend on their size, equipment, training level, extent of effects and combat conditions. The paper indicates a potential to overcome the gap in the provisions after disbanding the Army Corps.

Effort problem of chemical pipelines

Energy Technology Data Exchange (ETDEWEB)

Okrajni, J.; Ciesla, M.; Mutwil, K. [Silesian Technical University, Katowice (Poland)

1998-12-31

The problem of the technical state assessment of the chemical pipelines working under mechanical and thermal loading has been shown in the paper. The pipelines effort after the long time operating period has been analysed. Material geometrical and loading conditions of the crack initiation and crack growth process in the chosen object has been discussed. Areas of the maximal effort have been determined. The material structure charges after the long time operating period have been described. Mechanisms of the crack initiation and crack growth in the pipeline elements have been analysed and mutual relations between the chemical and mechanical influences have been shown. (orig.) 16 refs.

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank.

Science.gov (United States)

Westbrook, John D; Shao, Chenghua; Feng, Zukang; Zhuravleva, Marina; Velankar, Sameer; Young, Jasmine

2015-04-15

The Chemical Component Dictionary (CCD) is a chemical reference data resource that describes all residue and small molecule components found in Protein Data Bank (PDB) entries. The CCD contains detailed chemical descriptions for standard and modified amino acids/nucleotides, small molecule ligands and solvent molecules. Each chemical definition includes descriptions of chemical properties such as stereochemical assignments, chemical descriptors, systematic chemical names and idealized coordinates. The content, preparation, validation and distribution of this CCD chemical reference dataset are described. The CCD is updated regularly in conjunction with the scheduled weekly release of new PDB structure data. The CCD and amino acid variant reference datasets are hosted in the public PDB ftp repository at ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif.gz, ftp://ftp.wwpdb.org/pub/pdb/data/monomers/aa-variants-v1.cif.gz, and its mirror sites, and can be accessed from http://wwpdb.org. jwest@rcsb.rutgers.edu. Supplementary data are available at Bioinformatics online. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Racemic & quasi-racemic protein crystallography enabled by chemical protein synthesis.

Science.gov (United States)

Kent, Stephen Bh

2018-04-04

A racemic protein mixture can be used to form centrosymmetric crystals for structure determination by X-ray diffraction. Both the unnatural d-protein and the corresponding natural l-protein are made by total chemical synthesis based on native chemical ligation-chemoselective condensation of unprotected synthetic peptide segments. Racemic protein crystallography is important for structure determination of the many natural protein molecules that are refractory to crystallization. Racemic mixtures facilitate the crystallization of recalcitrant proteins, and give diffraction-quality crystals. Quasi-racemic crystallization, using a single d-protein molecule, can facilitate the determination of the structures of a series of l-protein analog molecules. Copyright © 2018 Elsevier Ltd. All rights reserved.

Chemical durability of glasses containing radioactive fission product waste

International Nuclear Information System (INIS)

Mendel, J.E.; Ross, W.A.

1974-04-01

Measurements made to determine the chemical durability of glasses for disposal of radioactive waste are discussed. The term glass covers materials varying from true glass with only minute quantities of crystallites, such as insoluble RuO 2 , to quasi glass-ceramics which are mostly crystalline. Chemical durability requirements and Soxhlet extractor leach tests are discussed

A New Topology of Solutions of Chemical Equations

International Nuclear Information System (INIS)

Risteski, Ice B.

2013-01-01

In this work is induced a new topology of solutions of chemical equations by virtue of point-set topology in an abstract stoichiometrical space. Subgenerators of this topology are the coefficients of chemical reaction. Complex chemical reactions, as those of direct reduction of hematite with a carbon, often exhibit distinct properties which can be interpreted as higher level mathematical structures. Here we used a mathematical model that exploits the stoichiometric structure, which can be seen as a topology too, to derive an algebraic picture of chemical equations. This abstract expression suggests exploring the chemical meaning of topological concept. Topological models at different levels of realism can be used to generate a large number of reaction modifications, with a particular aim to determine their general properties. The more abstract the theory is, the stronger the cognitive power is

Low-level toxicity of chemicals: No acceptable levels?

Directory of Open Access Journals (Sweden)

Bruce P Lanphear

2017-12-01

Full Text Available Over the past 3 decades, in a series of studies on some of the most extensively studied toxic chemicals and pollutants, scientists have found that the amount of toxic chemical linked with the development of a disease or death-which is central to determining "safe" or "hazardous" levels-is proportionately greater at the lowest dose or levels of exposure. These results, which are contrary to the way the United States Environmental Protection Agency (EPA and other regulatory agencies assess the risk of chemicals, indicate that we have underestimated the impact of toxic chemicals on death and disease. If widely disseminated chemicals and pollutants-like radon, lead, airborne particles, asbestos, tobacco, and benzene-do not exhibit a threshold and are proportionately more toxic at the lowest levels of exposure, we will need to achieve near-zero exposures to protect public health.

Dose-rate determination by radiochemical analysis

International Nuclear Information System (INIS)

Mangini, A.; Pernicka, E.; Wagner, G.A.

1983-01-01

At the previous TL Specialist Seminr we had suggested that α-counting is an unsuitable technique for dose-rate determination due to overcounting effects. This is confirmed by combining α-counting, neutron activation analysis, fission track counting, α-spectrometry on various pottery samples. One result of this study is that disequilibrium in the uranium decay chain alone cannot account for the observed discrepancies between α-counting and chemical analysis. Therefore we propose for routine dose-rate determination in TL dating to apply chemical analysis of the radioactive elements supplemented by an α-spectrometric equilibrium check. (author)

Manganese contents of soils as determined by activation analysis

International Nuclear Information System (INIS)

El-Kholi, A.F.; Hamdy, A.A.; Al Metwally, A.I.; El-Damaty, A.H.

1976-01-01

The object of this investigation is to determine total manganese by means of neutron activation analysis and evaluate this technique in comparison with the corresponding data obtained by conventional chemical analysis. Data obtained revealed that the values of total manganese in calcareous soils obtained by both chemical analysis and that by neutron activation analysis were similar. Therefore, activation analysis could be recommended as a quick laboratory, less tedious, and time consuming method for the determination of Mn content in both soils and plants than the conventional chemical techniques due to its great specificity, sensitivity and simplicity. Statistical analysis showed that there is a significant correlation at 5% probability level between manganese content in Soybean plant and total manganese determined by activation and chemical analysis giving the evidence that in the case of those highly calcareous soils of low total manganese content this fraction has to be considered as far as available soil manganese is concerned

Methods of humidity determination Part II: Determination of material humidity

OpenAIRE

Rübner, Katrin; Balköse, Devrim; Robens, E.

2008-01-01

Part II covers the most common methods of measuring the humidity of solid material. State of water near solid surfaces, gravimetric measurement of material humidity, measurement of water sorption isotherms, chemical methods for determination of water content, measurement of material humidity via the gas phase, standardisation, cosmonautical observations are reviewed.

Physico-Chemical Properties of Kaolin-Organic Acid

Directory of Open Access Journals (Sweden)

Yeo S.W.

2017-01-01

Full Text Available Soil with more than 20% of organic content is classified as organic soil in Malaysia. Contents of organic soil consist of different types of organic and inorganic matter. Each type of organic matter has its own characteristic and its effect on the properties of the soil is different. Hence, a good understanding on the effect of specific organic and inorganic matter on the physico-chemical characteristic of organic soils can serve as a guide for predicting the properties of organic soils. The main objective is to unveil the effect of organic acid on the physico-chemical properties of soil. Artificial organic soil (kaolin mixed with organic acid was utilized in order to minimize the geochemical variability of studied soil. The organic acid which consists of humic acid and fulvic acid was extracted from highly humificated plant–based compost. The effect of organic acid on the physico-chemical properties of soil was determined by varying the concentration of organic acid. The specific gravity, Atterberg limits, pH, bulk chemical composition and the functional group of kaolin-organic acid were determined. It was found that the plasticity index, specific gravity and pH value were decreased with lowered concentration of organic acid. However, the liquid limits and plastic limits were found to be increased with the concentration decrement of organic acid. The analysis of XRF on the bulk chemical composition and analysis of FTIR spectra on the functional group of artificial organic soils with different concentration have confirmed little geochemical variability between samples.

Thin-film chemical sensors based on electron tunneling

Science.gov (United States)

Khanna, S. K.; Lambe, J.; Leduc, H. G.; Thakoor, A. P.

1985-01-01

The physical mechanisms underlying a novel chemical sensor based on electron tunneling in metal-insulator-metal (MIM) tunnel junctions were studied. Chemical sensors based on electron tunneling were shown to be sensitive to a variety of substances that include iodine, mercury, bismuth, ethylenedibromide, and ethylenedichloride. A sensitivity of 13 parts per billion of iodine dissolved in hexane was demonstrated. The physical mechanisms involved in the chemical sensitivity of these devices were determined to be the chemical alteration of the surface electronic structure of the top metal electrode in the MIM structure. In addition, electroreflectance spectroscopy (ERS) was studied as a complementary surface-sensitive technique. ERS was shown to be sensitive to both iodine and mercury. Electrolyte electroreflectance and solid-state MIM electroreflectance revealed qualitatively the same chemical response. A modified thin-film structure was also studied in which a chemically active layer was introduced at the top Metal-Insulator interface of the MIM devices. Cobalt phthalocyanine was used for the chemically active layer in this study. Devices modified in this way were shown to be sensitive to iodine and nitrogen dioxide. The chemical sensitivity of the modified structure was due to conductance changes in the active layer.

Determination of trace amounts of chemical warfare agent degradation products in decontamination solutions with NMR spectroscopy.

Science.gov (United States)

Koskela, Harri; Rapinoja, Marja-Leena; Kuitunen, Marja-Leena; Vanninen, Paula

2007-12-01

Decontamination solutions are used for an efficient detoxification of chemical warfare agents (CWAs). As these solutions can be composed of strong alkaline chemicals with hydrolyzing and oxidizing properties, the analysis of CWA degradation products in trace levels from these solutions imposes a challenge for any analytical technique. Here, we present results of application of nuclear magnetic resonance spectroscopy for analysis of trace amounts of CWA degradation products in several untreated decontamination solutions. Degradation products of the nerve agents sarin, soman, and VX were selectively monitored with substantially reduced interference of background signals by 1D 1H-31P heteronuclear single quantum coherence (HSQC) spectrometry. The detection limit of the chemicals was at the low part-per-million level (2-10 microg/mL) in all studied solutions. In addition, the concentration of the degradation products was obtained with sufficient confidence with external standards.

QCD at finite isospin chemical potential

Science.gov (United States)

Brandt, Bastian B.; Endrődi, Gergely; Schmalzbauer, Sebastian

2018-03-01

We investigate the properties of QCD at finite isospin chemical potential at zero and non-zero temperatures. This theory is not affected by the sign problem and can be simulated using Monte-Carlo techniques. With increasing isospin chemical potential and temperatures below the deconfinement transition the system changes into a phase where charged pions condense, accompanied by an accumulation of low modes of the Dirac operator. The simulations are enabled by the introduction of a pionic source into the action, acting as an infrared regulator for the theory, and physical results are obtained by removing the regulator via an extrapolation. We present an update of our study concerning the associated phase diagram using 2+1 flavours of staggered fermions with physical quark masses and the comparison to Taylor expansion. We also present first results for our determination of the equation of state at finite isospin chemical potential and give an example for a cosmological application. The results can also be used to gain information about QCD at small baryon chemical potentials using reweighting with respect to the pionic source parameter and the chemical potential and we present first steps in this direction.

Chemical and Physical Properties of Hi-Cal-2

Science.gov (United States)

Spakowski, A. E.; Allen, Harrison, Jr.; Caves, Robert M.

1955-01-01

As part of the Navy Project Zip to consider various boron-containing materials as possible high-energy fuels, the chemical and physical properties of Hi-Cal-2 prepared by the Callery Chemical Company were evaluated at the NACA Lewis laboratory. Elemental chemical analysis, heat of combustion, vapor pressure and decomposition, freezing point, density, self ignition temperature, flash point, and blow-out velocity were determined for the fuel. Although the precision of measurement of these properties was not equal to that obtained for hydrocarbons, this special release research memorandum was prepared to make the data available as soon as possible.

Chemical Engineering in the "BIO" World.

Science.gov (United States)

Chiarappa, Gianluca; Grassi, Mario; Abrami, Michela; Abbiati, Roberto Andrea; Barba, Anna Angela; Boisen, Anja; Brucato, Valerio; Ghersi, Giulio; Caccavo, Diego; Cascone, Sara; Caserta, Sergio; Elvassore, Nicola; Giomo, Monica; Guido, Stefano; Lamberti, Gaetano; Larobina, Domenico; Manca, Davide; Marizza, Paolo; Tomaiuolo, Giovanna; Grassi, Gabriele

2017-01-01

Modern Chemical Engineering was born around the end of the 19th century in Great Britain, Germany, and the USA, the most industrialized countries at that time. Milton C. Whitaker, in 1914, affirmed that the difference between Chemistry and Chemical Engineering lies in the capability of chemical engineers to transfer laboratory findings to the industrial level. Since then, Chemical Engineering underwent huge transformations determining the detachment from the original Chemistry nest. The beginning of the sixties of the 20th century saw the development of a new branch of Chemical Engineering baptized Biomedical Engineering by Peppas and Langer and that now we can name Biological Engineering. Interestingly, although Biological Engineering focused on completely different topics from Chemical Engineering ones, it resorted to the same theoretical tools such as, for instance, mass, energy and momentum balances. Thus, the birth of Biological Engineering may be considered as a Darwinian evolution of Chemical Engineering similar to that experienced by mammals which, returning to water, used legs and arms to swim. From 1960 on, Biological Engineering underwent a considerable evolution as witnessed by the great variety of topics covered such as hemodialysis, release of synthetic drugs, artificial organs and, more recently, delivery of small interfering RNAs (siRNA). This review, based on the activities developed in the frame of our PRIN 2010-11 (20109PLMH2) project, tries to recount origins and evolution of Chemical Engineering illustrating several examples of recent and successful applications in the biological field. This, in turn, may stimulate the discussion about the Chemical Engineering students curriculum studiorum update. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

The pivotal role of mass spectrometry in determining the presence of chemical contaminants in food raw materials.

Science.gov (United States)

Mohamed, Rayane; Guy, Philippe A

2011-01-01

During recent years, a rising interest from consumers and various governmental organizations towards the quality of food has continuously been observed. Human intervention across the different stages of the food supply chain can lead to the presence of several types of chemical contaminants in food-based products. On a normal daily consumption basis, some of these chemicals are not harmful; however, for those that present a risk to consumers, legislation rules were established to specify tolerance levels or in some cases the total forbiddance of these specific contaminants. Hence, the use of appropriate analytical tools is recommended to properly identify chemical contaminants. In that context, mass spectrometry (MS)-based techniques coupled or not to chromatography offer a vast panel of features such as sensitivity, selectivity, quantification at trace levels, and/or structural elucidation. Because of the complexity of food-based matrices, sample preparation is a crucial step before final detection. In the present manuscript, we review the contribution and the potentialities of MS-based techniques to ensure the absence of chemical contaminants in food-based products. Copyright © 2011 Wiley Periodicals, Inc.

molecular dynamics simulations and quantum chemical calculations

African Journals Online (AJOL)

ABSTRACT. The molecular dynamic (MD) simulation and quantum chemical calculations for the adsorption of [2-(2-Henicos-10- .... electronic properties of molecule clusters, surfaces and ... The local reactivity was analyzed by determining the.

Characterization of chemical agent transport in paints.

Science.gov (United States)

Willis, Matthew P; Gordon, Wesley; Lalain, Teri; Mantooth, Brent

2013-09-15

A combination of vacuum-based vapor emission measurements with a mass transport model was employed to determine the interaction of chemical warfare agents with various materials, including transport parameters of agents in paints. Accurate determination of mass transport parameters enables the simulation of the chemical agent distribution in a material for decontaminant performance modeling. The evaluation was performed with the chemical warfare agents bis(2-chloroethyl) sulfide (distilled mustard, known as the chemical warfare blister agent HD) and O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (VX), an organophosphate nerve agent, deposited on to two different types of polyurethane paint coatings. The results demonstrated alignment between the experimentally measured vapor emission flux and the predicted vapor flux. Mass transport modeling demonstrated rapid transport of VX into the coatings; VX penetrated through the aliphatic polyurethane-based coating (100 μm) within approximately 107 min. By comparison, while HD was more soluble in the coatings, the penetration depth in the coatings was approximately 2× lower than VX. Applications of mass transport parameters include the ability to predict agent uptake, and subsequent long-term vapor emission or contact transfer where the agent could present exposure risks. Additionally, these parameters and model enable the ability to perform decontamination modeling to predict how decontaminants remove agent from these materials. Published by Elsevier B.V.

Research of chemical structure of atmospheric precipitation

International Nuclear Information System (INIS)

Korenyak, D.

2001-01-01

The structure of atmospheric precipitation changes in its passing through the air medium. Thus, the atmospheric precipitation is one of the ecological factors, acting regularly. The research of chemical structure of atmospheric precipitation is closely connected with the problems of turnover of elements, with sanitary - ecological conditions of regions, with the matters of agricultural equipment and of salt balance of the soils. In paper the author for the first time represents the data on chemical structure of precipitation in the town. The data of chemical analysis of 18 samples are given. Obtained results permitted, to a certain extent, to determine the mechanisms of formation of atmospheric precipitation in the region investigated and its genesis. (authors)

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

Application of FT NIR Spectroscopy in the Determination of Basic Physical and Chemical Properties of Sausages

Directory of Open Access Journals (Sweden)

Zuzana Procházková

2010-01-01

Full Text Available The objectives of this study were to develop calibration models for determination of water activity and the content of fat, dry matter, salt, non collagen muscle protein and pH in dry cooked sausages. Samples (n = 42 were scanned in FT-NIR Analyzer and simultaneously analyzed by standard methods. The spectra were measured in the reflectance mode with a compressive cell between 10 000 and 4 000 cm-1, averaging 100 scans. Calibration models were developed using the partial least squares (PLS method. These calibration models were checked later by crossvalidation. The following statistical values were obtained: R (correlation coefficient = 0.997 and SEC (standard error of calibration = 0.002 for water activity, R = 0.966 and SEC = 0.023 for pH, R = 0.995 and SEC = 0.970 for dry matter content, R = 0.995 and SEC = 0.045 for salt content, R = 0.965 and SEC = 0.652 for non collagen muscle protein, R = 0.996 and SEC = 0.559 for fat content. The results of the study showed that FT-NIR is a suitable method for rapid analysis of physical and chemical properties of sausages.

Assessment of chemical loadings to Newark Bay, New Jersey from petroleum and hazardous chemical accidents occurring from 1986 to 1991

International Nuclear Information System (INIS)

Gunster, D.G.; Bonnevie, N.L.; Gillis, C.A.; Wenning, R.J.

1993-01-01

Newark Bay, New Jersey, is particularly vulnerable to ecological damage from accidental petroleum and chemical spills due to the enclosed nature of the bay and the large volume of chemical and petroleum commerce within the region. A review of the New Jersey Department of Environmental Protection and Energy's database of hazardous chemical spills in New Jersey waterways was conducted to determine the frequency and volume of chemical and petroleum spills in Newark Bay and its major tributaries. Accidents reported from 1986 to 1991 were extracted from the database and summarized. The compilation of records indicated that 1400 incidents, resulting in the release of more than 18 million gallons of hazardous materials to the estuary had been reported to state officials. The bulk of the chemicals released to the aquatic environment were petroleum products, specifically No. 2 Fuel Oil (4,636,512 gallons) and No. 6 Fuel Oil (12,600,683 gallons). The majority of the reported incidents occurred in the Arthur Kill and its tributaries. The results indicate that accidental discharge of petroleum and other hazardous chemicals to Newark Bay represents a significant ongoing source of chemical pollution

78 FR 64016 - Importer of Controlled Substances, Notice of Registration, Boehringer Ingelheim Chemicals

Science.gov (United States)

2013-10-25

... Registration, Boehringer Ingelheim Chemicals By Notice dated June 18, 2013, and published in the Federal Register on July 1, 2013, 78 FR 39337, Boehringer Ingelheim Chemicals, 2820 N. Normandy Drive, Petersburg...) and determined that the registration of Boehringer Ingelheim Chemicals is consistent with the public...

Synergetic enhancement effect of ionic liquid and diethyldithiocarbamate on the chemical vapor generation of nickel for its atomic fluorescence spectrometric determination in biological samples

International Nuclear Information System (INIS)

Zhang Chuan; Li Yan; Wu Peng; Yan Xiuping

2009-01-01

Room-temperature ionic liquid in combination with sodium diethyldithiocarbamate (DDTC) was used to synergetically improve the chemical vapor generation (CVG) of nickel. Volatile species of nickel were effectively generated through reduction of acidified analyte solution with KBH 4 in the presence of 0.02% DDTC and 25 mmol L -1 1-butyl-3-methylimidazolium bromide ([C 4 mim]Br) at room temperature. Thus, a new flow injection (FI)-CVG-atomic fluorescence spectrometric (FI-CVG-AFS) method was developed for determination of nickel with a detection limit of 0.65 μg L -1 (3 s) and a sampling frequency of 180 h -1 . With consumption of 0.5 mL sample solution, an enhancement factor of 2400 was obtained. The precision (RSD) for eleven replicate determinations of 20 μg L -1 Ni was 3.4%. The developed FI-CVG-AFS method was successfully applied to determination of trace Ni in several certified biological reference materials.

Chemical control methods and tools

Science.gov (United States)

Steven Manning; James. Miller

2011-01-01

After determining the best course of action for control of an invasive plant population, it is important to understand the variety of methods available to the integrated pest management professional. A variety of methods are now widely used in managing invasive plants in natural areas, including chemical, mechanical, and cultural control methods. Once the preferred...

Unraveling the meaning of chemical shifts in protein NMR.

Science.gov (United States)

Berjanskii, Mark V; Wishart, David S

2017-11-01

Chemical shifts are among the most informative parameters in protein NMR. They provide wealth of information about protein secondary and tertiary structure, protein flexibility, and protein-ligand binding. In this report, we review the progress in interpreting and utilizing protein chemical shifts that has occurred over the past 25years, with a particular focus on the large body of work arising from our group and other Canadian NMR laboratories. More specifically, this review focuses on describing, assessing, and providing some historical context for various chemical shift-based methods to: (1) determine protein secondary and super-secondary structure; (2) derive protein torsion angles; (3) assess protein flexibility; (4) predict residue accessible surface area; (5) refine 3D protein structures; (6) determine 3D protein structures and (7) characterize intrinsically disordered proteins. This review also briefly covers some of the methods that we previously developed to predict chemical shifts from 3D protein structures and/or protein sequence data. It is hoped that this review will help to increase awareness of the considerable utility of NMR chemical shifts in structural biology and facilitate more widespread adoption of chemical-shift based methods by the NMR spectroscopists, structural biologists, protein biophysicists, and biochemists worldwide. This article is part of a Special Issue entitled: Biophysics in Canada, edited by Lewis Kay, John Baenziger, Albert Berghuis and Peter Tieleman. Copyright © 2017 Elsevier B.V. All rights reserved.

Physico-Chemical Characterization and Pollution Index ...

African Journals Online (AJOL)

Physico-Chemical Characterization and Pollution Index Determination of Leachates from Warri Waste Dumpsite, Southern Nigeria. ... This study characterizes the leachates quality of an active dumpsite in Warri, Delta State and also analyses its contamination or pollution potential. Leachate Pollution Index (LPI) - a tool for ...

Radiochemical studies in chemical separation and spectrographic determination of rare earths in thorium oxide matrix (Preprint No. RA.06)

International Nuclear Information System (INIS)

Adya, V.C.; Dhawale, B.A.; Rajeshwari, B.; Bangia, T.R.; Sastry, M.D.

1989-01-01

A chemical separation procedure was standardised for the separation of traces of rare earths from ThO 2 matrix using HDEHP (Di 2-ethyl hexyl phosphoric acid). The studies were carried out using both nitric acid and hydrochloric acid medium in different concentrations. The extraction studies were also carried out using radioactive isotopes of rare earths viz. 141 Ce, 152-154 Eu, 153 Gd, 170 Tm etc. The extraction was effective in both media. In 0.1 M HDEHP/xylene and 3 M HNO 3 , Ce was partially extracted into organic phase. So HCl/xylene medium was chosen for extraction purposes. The recovery was confirmed by both gamma counting and emission spectropgraphic method. It was found to be quantitative within experimental error. The separation procedure development here was used for determination of rare earths in thorium oxide matrix by emission spectrographic method. (author)

Mechanisms of chemical generation of volatile hydrides for trace element determination (IUPAC Technical Report)

Czech Academy of Sciences Publication Activity Database

D'Ulivo, A.; Dědina, Jiří; Mester, Z.; Sturgeon, R. E.; Wang, Q.; Welz, B.

2011-01-01

Roč. 83, č. 6 (2011), s. 1283-1340 ISSN 0033-4545 Institutional research plan: CEZ:AV0Z40310501 Keywords : borane complexes * chemical generation of volatile hydrides (CHG) * volatile hydrides Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.789, year: 2011

Comparative study of the chemical properties of palm oil extracted ...

African Journals Online (AJOL)

The chemical properties of oil samples determined were free fatty acid, acid value, saponification value, peroxide value, iodine value and moisture content. The experimental design adopted was 3 x 2 x 2 factorial randomized complete block design in three replicates. The data of chemical properties of extracted palm oil ...

Does runoff or temperature control chemical weathering rates?

International Nuclear Information System (INIS)

Eiriksdottir, Eydis Salome; Gislason, Sigurdur Reynir; Oelkers, Eric H.

2011-01-01

Highlights: → The rate chemical weathering is affected by both temperature and runoff. Separating out these two factors is challenging because runoff tends to increase with increasing temperature. → In this study, natural river water samples collected on basaltic catchments over a five year period are used together with experimentally derived dissolution rate model for basaltic glass to pull apart the effects of runoff and temperature. → This study shows that the rate of chemical denudation is controlled by both temperature and runoff, but is dominated by runoff. - Abstract: The rate of chemical denudation is controlled by both temperature and runoff. The relative role of these two factors in the rivers of NE Iceland is determined through the rigorous analysis of their water chemistry over a 5-a period. River catchments are taken to be analogous to laboratory flow reactors; like the fluid in flow reactors, the loss of each dissolved element in river water is the sum of that of the original rainwater plus that added from kinetically controlled dissolution and precipitation reactions. Consideration of the laboratory determined dissolution rate behaviour of basalts and measured water chemistry indicates that the maximum effect of changing temperature on chemical denudation in the NE Icelandic rivers was 5-25% of the total change, whereas that of runoff was 75-95%. The bulk of the increased denudation rates with runoff appear to stem from an increase in reactive surface area for chemical weathering of catchment solids.

Investigation of Chemical Equilibrium Kinetics by the Electromigration Method

CERN Document Server

Bozhikov, G A; Bontchev, G D; Maslov, O D; Milanov, M V; Dmitriev, S N

2002-01-01

Measurement of the chemical reaction rates for complex formation as well as hydrolysis type reactions by the method of horizontal zone electrophoresis is outlined. The correlation between chemical equilibrium kinetics and electrodiffusion processes in a constant d.c. electric field is described. In model electromigration experiments the reaction rate constant of the complex formation of Hf(IV) and DTPA is determined.

Determining octanol-water partition coefficients for extremely hydrophobic chemicals by combining 'slow stirring' and solid phase micro extraction

NARCIS (Netherlands)

Jonker, Michiel T O

Octanol-water partition coefficients (Kow ) are widely used in fate and effects modelling of chemicals. Still, high quality experimental Kow data are scarce, in particular for very hydrophobic chemicals. This hampers reliable assessments of several fate and effect parameters and the development and

Steam-chemical reactivity for irradiated beryllium

Energy Technology Data Exchange (ETDEWEB)

Anderl, R.A.; McCarthy, K.A.; Oates, M.A.; Petti, D.A.; Pawelko, R.J.; Smolik, G.R. [Idaho National Engineering and Environmental Lab., Idaho Falls, ID (United States)

1998-01-01

This paper reports the results of an experimental investigation to determine the influence of neutron irradiation effects and annealing on the chemical reactivity of beryllium exposed to steam. The work entailed measurements of the H{sub 2} generation rates for unirradiated and irradiated Be and for irradiated Be that had been previously annealed at different temperatures ranging from 450degC to 1200degC. H{sub 2} generation rates were similar for irradiated and unirradiated Be in steam-chemical reactivity experiments at temperatures between 450degC and 600degC. For irradiated Be exposed to steam at 700degC, the chemical reactivity accelerated rapidly and the specimen experienced a temperature excursion. Enhanced chemical reactivity at temperatures between 400degC and 600degC was observed for irradiated Be annealed at temperatures of 700degC and higher. This reactivity enhancement could be accounted for by the increased specific surface area resulting from development of a surface-connected porosity in the irradiated-annealed Be. (author)

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

A new type of power energy for accelerating chemical reactions: the nature of a microwave-driving force for accelerating chemical reactions.

Science.gov (United States)

Zhou, Jicheng; Xu, Wentao; You, Zhimin; Wang, Zhe; Luo, Yushang; Gao, Lingfei; Yin, Cheng; Peng, Renjie; Lan, Lixin

2016-04-27

The use of microwave (MW) irradiation to increase the rate of chemical reactions has attracted much attention recently in nearly all fields of chemistry due to substantial enhancements in reaction rates. However, the intrinsic nature of the effects of MW irradiation on chemical reactions remains unclear. Herein, the highly effective conversion of NO and decomposition of H2S via MW catalysis were investigated. The temperature was decreased by several hundred degrees centigrade. Moreover, the apparent activation energy (Ea') decreased substantially under MW irradiation. Importantly, for the first time, a model of the interactions between microwave electromagnetic waves and molecules is proposed to elucidate the intrinsic reason for the reduction in the Ea' under MW irradiation, and a formula for the quantitative estimation of the decrease in the Ea' was determined. MW irradiation energy was partially transformed to reduce the Ea', and MW irradiation is a new type of power energy for speeding up chemical reactions. The effect of MW irradiation on chemical reactions was determined. Our findings challenge both the classical view of MW irradiation as only a heating method and the controversial MW non-thermal effect and open a promising avenue for the development of novel MW catalytic reaction technology.

Differences in the regulation of chemicals and radionuclides

International Nuclear Information System (INIS)

Travis, C.C.

1993-12-01

Government regulations limiting public exposure to radionuclides and chemicals have historically been developed by regulatory agencies using different approaches with the result that levels of protection vary for the two classes of contaminants. These differences create difficulties in determining equitable regulatory measures when both radionuclides and chemical pollutants are involved. Generally, radiation exposure is not regulated as stringently as chemical exposure (Travis et al, 1989). The International commission on Radiological Protection (ICRP) recommends limiting excess environmental radiation exposure to the general public to 100 millirem per year (mrem/yr) (ICRP, 1991), a lifetime cancer risk of about 3.5E-3. An acceptable level of risk for chemical exposures is generally considered to be below 1E-6. Differences in regulatory approach for radionuclides and chemicals evoke debate over why they are different and which regulation strategy is better. Because these pollutants often coexist (mixed waste sites, contaminated metals and facilities, etc.), it is important to analyze inconsistencies in the regulation of chemicals and radionuclides and establish a more consistent approach to defining an acceptable level of exposure for these contaminants

Eye irritancy screening for classification of chemicals.

Science.gov (United States)

van Erp, Y H; Weterings, P J

1990-01-01

A screening method was applied to determine the eye irritation potential of industrial chemicals. Bovine eyes (BE) were used to predict corneal damage and chicken egg chorioallantoic membranes (CAM) to estimate the irritancy potential of chemical substances towards the conjunctivae. Exposure of the BE to a test substance is followed by grading of the corneal opacity and epithelial injury. The CAM is inspected for signs of capillary injection, haemorrhages and coagulation. The tests are collectively called the BECAM assay. So far, almost 150 substances have been evaluated in this test system. A good correlation was observed between the BECAM assay and in vivo data; less than 5% of chemicals showed a clear disagreement. Also the assay is promising for labelling requirements according to the EEC criteria.

Chemical Speciation of Chromium in Drilling Muds

International Nuclear Information System (INIS)

Taguchi, Takeyoshi; Yoshii, Mitsuru; Shinoda, Kohzo

2007-01-01

Drilling muds are made of bentonite and other clays, and/or polymers, mixed with water to the desired viscosity. Without the drilling muds, corporations could not drill for oil and gas and we would have hardly any of the fuels and lubricants considered essential for modern industrial civilization. There are hundreds of drilling muds used and some kinds of drilling muds contain chromium. The chemical states of chromium in muds have been studied carefully due to concerns about the environmental influence. However it is difficult to determine the chemical state of chromium in drilling muds directly by conventional analytical methods. We have studied the chemical form of chromium in drilling muds by using a laboratory XAFS system and a synchrotron facility

Determination of Energy Use Efficiency of Sesame Production

OpenAIRE

BARAN, Mehmet Firat

2018-01-01

In this research it was aimed to determine an energy use efficiency of sesame production in Şanlıurfa province, during the production season of 2015. In order to determine the energy use efficiency of sesame production, trials and measurement were performed in sesame farm in the Bozova district of Şanlıurfa province. As energy inputs, human labour energy, machinery energy, chemical fertilizers energy, irrigation water energy, chemicals energy, diesel fuel energy and seed energy as were calcul...

Evaluating chemical extraction techniques for the determination of uranium oxidation state in reduced aquifer sediments

Science.gov (United States)

Stoliker, Deborah L.; Campbell, Kate M.; Fox, Patricia M.; Singer, David M.; Kaviani, Nazila; Carey, Minna; Peck, Nicole E.; Barger, John R.; Kent, Douglas B.; Davis, James A.

2013-01-01

Extraction techniques utilizing high pH and (bi)carbonate concentrations were evaluated for their efficacy in determining the oxidation state of uranium (U) in reduced sediments collected from Rifle, CO. Differences in dissolved concentrations between oxic and anoxic extractions have been proposed as a means to quantify the U(VI) and U(IV) content of sediments. An additional step was added to anoxic extractions using a strong anion exchange resin to separate dissolved U(IV) and U(VI). X-ray spectroscopy showed that U(IV) in the sediments was present as polymerized precipitates similar to uraninite and/or less ordered U(IV), referred to as non-uraninite U(IV) species associated with biomass (NUSAB). Extractions of sediment containing both uraninite and NUSAB displayed higher dissolved uranium concentrations under oxic than anoxic conditions while extractions of sediment dominated by NUSAB resulted in identical dissolved U concentrations. Dissolved U(IV) was rapidly oxidized under anoxic conditions in all experiments. Uraninite reacted minimally under anoxic conditions but thermodynamic calculations show that its propensity to oxidize is sensitive to solution chemistry and sediment mineralogy. A universal method for quantification of U(IV) and U(VI) in sediments has not yet been developed but the chemical extractions, when combined with solid-phase characterization, have a narrow range of applicability for sediments without U(VI).

Investigation of chemical modifiers for sulfur determination in diesel fuel samples by high-resolution continuum source graphite furnace molecular absorption spectrometry using direct analysis

Energy Technology Data Exchange (ETDEWEB)

Huber, Charles S. [Instituto Federal Sul-rio-grandense, Câmpus Pelotas, Pelotas, RS (Brazil); Universidade Federal do Rio Grande do Sul, Instituto de Química, Porto Alegre, RS (Brazil); Vale, Maria Goreti R. [Universidade Federal do Rio Grande do Sul, Instituto de Química, Porto Alegre, RS (Brazil); Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Welz, Bernhard [Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Universidade Federal de Santa Catarina, Departamento de Química, Florianópolis, SC (Brazil); Andrade, Jailson B. [Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Dessuy, Morgana B., E-mail: mbdessuy@ufrgs.br [Universidade Federal do Rio Grande do Sul, Instituto de Química, Porto Alegre, RS (Brazil); Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil)

2015-06-01

High-resolution continuum source graphite furnace molecular absorption spectrometry has been applied for sulfur determination in diesel fuel. The sharp rotational lines of the carbon monosulfide molecule (formed during the vaporization step) were used to measure the absorbance. The analytical line at 258.056 nm was monitored using the sum of three pixels. Different chemical modifiers were investigated and the mixture of palladium and magnesium was used as chemical modifier in combination with iridium as permanent modifier. L-Cysteine was chosen as sulfur standard and the calibration was done against aqueous standard solutions. The proposed method was applied for the analyses of four diesel samples: two S10 samples and two S500 samples. The trueness of the method was checked with a certified reference material (CRM) of sulfur in diesel fuel (NIST 2724b). Accurate results, for samples and CRM, were achieved after a dilution with propan-1-ol. The following figures of merit were obtained: characteristic mass of 17 ± 3 ng, limit of detection and limit of quantification of 1.4 mg kg{sup −1} and 4.7 mg kg{sup −1}, respectively. - Highlights: • Ir, Ru and Zr were investigated as permanent modifiers. • Ca, Mg, Pd and Pd/Mg were investigated as modifiers in solution. • Indirect determination of sulfur monitoring the molecular absorbance of the CS • Direct analysis of diesel samples using a dilution in propan-1-ol.

Chemical Peels

Science.gov (United States)

... care Kids’ zone Video library Find a dermatologist Chemical peels Overview Chemical peels: Overview Also called chemexfoliation , derma peeling Do ... Overview Chemical peels: FAQs Chemical peels: Preparation FAQs Chemical peels: FAQs To help you decide whether this ...

Biodegradation testing of hydrophobic chemicals in mixtures at low concentrations – covering the chemical space of petroleum hydrocarbons

DEFF Research Database (Denmark)

Birch, Heidi; Hammershøj, Rikke Høst; Mayer, Philipp

Petroleum products are complex mixtures of varying composition containing thousands of hydrocarbons each with their own physicochemical properties and degradation kinetics. One approach for risk assessment of these products is therefore to group the hydrocarbons by carbon number and chemical class...... i.e. hydrocarbon blocks. However, the biodegradation kinetic data varies in quantity and quality for the different hydrocarbon blocks, hampering the characterization of their fate properties. In this study, biodegradation kinetics of a large number of hydrocarbons aiming to cover the chemical space...... of petroleum hydrocarbons, were therefore determined at ng/L to µg/L concentrations in surface water, seawater and activated sludge filtrate. Two hydrocarbon mixtures were prepared, comprising a total of 53 chemicals including paraffins, naphthenics and aromatic hydrocarbons from C8 to C20. Passive dosing from...

Is ionizing radiation regulated more stringently than chemical carcinogens

International Nuclear Information System (INIS)

Travis, C.C.; Pack, S.R.; Hattemer-Frey, H.A.

1989-01-01

It is widely believed that United States government agencies regulate exposure to ionizing radiation more stringently than exposure to chemical carcinogens. It is difficult to verify this perception, however, because chemical carcinogens and ionizing radiation are regulated using vastly different strategies. Chemical carcinogens are generally regulated individually. Regulators consider the risk of exposure to one chemical rather than the cumulative radiation exposure from all sources. Moreover, standards for chemical carcinogens are generally set in terms of quantities released or resultant environmental concentrations, while standards for ionizing radiation are set in terms of dose to the human body. Since chemicals and ionizing radiation cannot be compared on the basis of equal dose to the exposed individual, standards regulating chemicals and ionizing radiation cannot be compared directly. It is feasible, however, to compare the two sets of standards on the basis of equal risk to the exposed individual, assuming that standards for chemicals and ionizing radiation are equivalent if estimated risk levels are equitable. This paper compares risk levels associated with current standards for ionizing radiation and chemical carcinogens. The authors do not attempt to determine whether either type of risk is regulated too stringently or not stringently enough but endeavor only to ascertain if ionizing radiation is actually regulated more strictly than chemical carcinogens

Wide-range neutron dose determination with CR-39

International Nuclear Information System (INIS)

Arneja, A.R.; Waker, A.J.

1995-01-01

Optical density measurements of CR-30 irradiated with 252 Cf neutrons and chemically etched with 6.5 N KOH solution have been used to determine neutron absorbed doses between 0.1 and 10 Gy. Optimum etching conditions will depend upon the absorbed dose. Since it is not always possible to know the range of absorbed dose on a CR-39 dosemeter collected from personnel and area monitor stations in a criticality accident situation, a three-step two-hour chemical etch at 60 o C has been found to be appropriate. If after a total of six hours of chemical etching the optical density is found to be below 0.04 for 500 nm light (transmission > 90%) then further treatment in the form of electrochemical etching can be carried out to determine the lower absorbed dose. In this manner, absorbed doses below 0.1 Gy can be determined by counting tracks over a unit area. (author)

Determination of the concentration profile of chemical elements in superheater pipes; Determinacion del perfil de concentracion de elementos quimicos en tubos de sobrecalentadores

Energy Technology Data Exchange (ETDEWEB)

Aldape U, F; Aspiazu F, J [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

1986-05-15

This work has for object to determine the profile of concentration of chemical elements at trace level in a superheater pipe of Thermoelectric Plants using the X-ray emission spectroscopy technique induced by protons coming from the Accelerator of the Nuclear Center. In the X-ray detection, a Si Li detector was used. The technique was chosen because it allows a multielemental analysis, of high sensitivity and precision. The results can help to understand the problems that are had in the change of flexibility or of corrosion. This will be from utility to the Federal Electricity Commission (CFE). (Author)

Determination of nickel-63

International Nuclear Information System (INIS)

Poletiko, C.

1988-01-01

The research of activation products in the environment is often centered on cobalt-60 or other gamma emitters, since pure beta emitters require time consuming separations to be counted. However, some beta emitters must be checked because they have a build up in the environment, leading to potential hazards. Among these nuclides, there is nickel-63 which is a pure, soft beta emitter (67 keV) with a long half-life (100 years). A chemical separation, providing good results, was developed. Such a separation is based upon nickel carrier addition in the sample than DMG complex formation and isolation; after elimination of solvent. DMG complex is destroyed. Chemical yield is determined by flame atomic absorption measurement and nickel-63 counted by liquid scintillation. The described procedure allows the determination of low-level activities in different samples (soils, effluents, etc.). Detection limits are close to 0.1 Bq per sample

Determination of structural, thermodynamic and phase properties in the Na2S-H2O system for application in a chemical heat pump

International Nuclear Information System (INIS)

Boer, R. de; Haije, W.G.; Veldhuis, J.B.J.

2002-01-01

Structural, thermodynamic and phase properties in the Na 2 S-H 2 O system for application in a chemical heat pump have been investigated using XRD, TG/DTA and melting point and vapour pressure determinations. Apart from the known crystalline phases Na 2 S·9H 2 O, Na 2 S·5H 2 O and Na 2 S a new phase Na 2 S·2H 2 O has been proven to exist. Na 2 S·((1)/(2))H 2 O is not a phase but a 3:1 mixture of Na 2 S and Na 2 S·2H 2 O, presumably stabilised by very slow dehydration kinetics. The vapour pressure-temperature equilibria of the sodium sulphide hydrates have been determined and a consistent set of thermodynamic functions for these compounds has been derived. XRD measurements indicate the topotactic character of the transitions between the hydration states

Chemical performance of multi-environment trials in lens (Lens culinaris M.).

Science.gov (United States)

Karadavut, Ufuk; Palta, Cetin

2010-01-15

Genotype-environment (GE) interaction has been a major effect to determine stable lens (Lens culinaris (Medik.) Merr.) cultivars for chemical composition in Turkey. Utilization of the lines depends on their agronomic traits and stability of the chemical composition in diverse environments. The objectives of this study were: (i) to evaluate the influence of year and location on the chemical composition of lens genotypes; and (ii) to determine which cultivar is the most stable. Genotypes were evaluated over 3 years (2005, 2006 and 2007) at four locations in Turkey. Effects of year had the largest impact on all protein contents. GE interaction was analyzed by using linear regression techniques. Stability was estimated using the Eberhart and Russell method. 'Kişlik Kirmizi51' was the most stable cultivar for grain yield. The highest protein was obtained from 'Kişlik Kirmizi51' (4.6%) across environments. According to stability analysis, 'Firat 87' had the most stable chemical composition. This genotype had a regression coefficient (b(i) = 1) around unity, and deviations from regression values (delta(ij) = 0) around zero. Chemical composition was affected by year in this study. Temperature might have an effect on protein, oil, carbohydrate, fibre and ash. Firat 87 could be recommended for favourable environments. Copyright (c) 2009 Society of Chemical Industry.

Chemical cleaning the service water system at a nuclear power plant

International Nuclear Information System (INIS)

Brice, T.O.; Glover, W.A.

1994-01-01

Chemical cleaning a large cooling water system in a nuclear power plant presented many unique problems. The selection, qualification, and performance of the cleaning process were done using a phased approach. The piping was inspected to determine the extent of the problem. Deposit samples were removed from the service water system pipe and tested in the laboratory to determine the most effective cleaning solvent for deposit removal. An engineering study was performed to define the design parameters required to implement the system-wide chemical cleaning

Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation.

Science.gov (United States)

Yazawa, Koji; Suzuki, Furitsu; Nishiyama, Yusuke; Ohata, Takuya; Aoki, Akihiro; Nishimura, Katsuyuki; Kaji, Hironori; Shimizu, Tadashi; Asakura, Tetsuo

2012-11-25

The accurate (1)H positions of alanine tripeptide, A(3), with anti-parallel and parallel β-sheet structures could be determined by highly resolved (1)H DQMAS solid-state NMR spectra and (1)H chemical shift calculation with gauge-including projector augmented wave calculations.

Determination of the bonding of alkyl monolayers to the Si(111) surface using chemical-shift, scanned-energy photoelectron diffraction

Energy Technology Data Exchange (ETDEWEB)

Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E. [Stanford University, Stanford, California 94309 (United States)

1997-08-01

The bonding of alkyl monolayers to Si(111) surfaces has been studied by conventional x-ray photoelectron spectroscopy (XPS) and chemical-shift, scanned-energy photoelectron diffraction (PED) using synchrotron radiation. Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) olefin insertion into the H{endash}Si bond on the H{endash}Si(111) surface, and (ii) replacement of Cl on the Cl{endash}Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, XPS has revealed a C 1s signal chemically shifted to lower binding energy, which we have assigned to carbon bonded to silicon. PED has shown that both preparative methods result in carbon bonded in an atop site with the expected C{endash}Si bond length of 1.85{plus_minus}0.05{Angstrom}. Chemical-shift, scanned-energy photoelectron diffraction is a particularly valuable probe of local structure at surfaces that contain the same element in multiple, chemically distinct environments. {copyright} {ital 1997 American Institute of Physics.}

Determination of the bonding of alkyl monolayers to the Si(111) surface using chemical-shift, scanned-energy photoelectron diffraction

International Nuclear Information System (INIS)

Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E.

1997-01-01

The bonding of alkyl monolayers to Si(111) surfaces has been studied by conventional x-ray photoelectron spectroscopy (XPS) and chemical-shift, scanned-energy photoelectron diffraction (PED) using synchrotron radiation. Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) olefin insertion into the H endash Si bond on the H endash Si(111) surface, and (ii) replacement of Cl on the Cl endash Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, XPS has revealed a C 1s signal chemically shifted to lower binding energy, which we have assigned to carbon bonded to silicon. PED has shown that both preparative methods result in carbon bonded in an atop site with the expected C endash Si bond length of 1.85±0.05 Angstrom. Chemical-shift, scanned-energy photoelectron diffraction is a particularly valuable probe of local structure at surfaces that contain the same element in multiple, chemically distinct environments. copyright 1997 American Institute of Physics

Determination of the Ubiquitin Fitness Landscape under Seventeen Chemical Conditions in a Classroom Setting

Science.gov (United States)

Mavor, David Carl

2017-01-01

Ubiquitin is essential for eukaryotic life and varies in only 3 amino acid positions between yeast and humans. However, recent deep sequencing studies indicate that ubiquitin is highly tolerant to single mutations. We hypothesized that this tolerance would be reduced by chemically induced physiologic perturbations. To test this hypothesis, a class…

Chemical effects in x-ray emission spectra

International Nuclear Information System (INIS)

Fernandes, N.G.

1982-01-01

The chemical bond influence in X-ray emission spectra of hafnium, iodine, iron, sulphur, aluminium and magnesium is detected. The position of one X-ray emission line is determined by three methods: parabolic profile; Gaussian distribution and extra-heavy maximum. (author)

Direct determination of Cd and Pb in human urine by GFAAS with deuterium-lamp background correction using different chemical modifiers

International Nuclear Information System (INIS)

Husakova, L.; Baoinova, M.; Sramkova, J.; Cernohorsky, T.

2007-01-01

Several authors have contributed to the elaboration of methodology for direct determination of Cd and Pb in urine by graphite furnace atomic absorption spectrometry (GFAAS). In the proposed approaches, Zeeman background correction systems were predominantly used, without paying much attention to the selection of an appropriate chemical modifier. However, systematic studies on eleven recommended and less commonly used modifiers have resulted in optimization of atomization conditions, so that accurate analysis also with the use of D 2 -lamp background correction became possible. This was confirmed by comparative measurements using both background correction systems. For determination of Cd in urine, NH 4 F has been selected resulting in the lowest limit of detection (LOD): 0.07 μg L -1 . NH 4 F promotes efficient atomization at low temperatures and suppresses chloride interference effect. Pd + Sr (nitrate) has been selected as the most adequate modifier for determination of Pb. Its presence raised the maximum tolerable pyrolysis temperature up to 1200 o C, which resulted in the maximum reduction of the background signal and the lowest LOD of 1.5 mg L -1 for Pb (10 μL aliquots of dispensed urine). Applying the above modifiers to the analysis of standards and samples, direct aqueous calibration for accurate analysis of diluted and acidified urine samples became possible. Accuracy of the analysis was verified by the use of commercially available quality control reference materials. (authors)

Chemical information from Auger electron spectroscopy

International Nuclear Information System (INIS)

Madden, H.H.

1981-01-01

The nature of chemical information in Auger electron spectroscopy (AES) data is reviewed with special emphasis on data from solid surface systems. Two strategies are most frequently used to extract this information: (i) measuring and analyzing energy (chemical) shifts in Auger peaks; and (ii) making use of the shapes of Auger signals to determine the chemical environment at the site of the initial core hole. Chemical shift data are primarily illustrated by highlighting the interaction of oxygen with solids; and analyses of these data based on core-level binding-energy shifts, relaxation, and hole--hole interactions are outlined and discussed. Auger transitions that involve valence electrons are usually those for which lineshapes are taken as indications of the local chemistry at the initial core-hole site. Attempts at extracting valence band density-of-states information from lineshapes are proving successful and this approach to the surface chemical information in AES is illustrated with the aid of examples dealing with the interaction of silicon with hydrogen and with oxygen. The use of the AES lineshapes simply as ''fingerprints'' of the core-hole-site chemistry is examined and illustrated by examples which include studies of silicon nitride properties, of solid surface properties related to catalytic reactions, and of passive films on iron. Auger decay activated desorption processes are briefly examined and found to promise new and unique chemical information when combined with conventional AES. Some gas phase AES studies are also briefly reviewed

Chemical constituents of Bauhinia aurea.

Science.gov (United States)

Shang, Xiao-Ya; Li, Shuai; Wang, Su-Juan; Yang, Yong-Chun; Shi, Jian-Gong

2012-01-01

A new dihydroflavonol glycoside dimer 6,6-bisastilbin (1) and a new nitrile-containing metabolite (Z)-5α,6β-dihydroxy-4β-methoxy-2-cyclohexene-Δ(1,α)-acetonitrile (2), together with three known analogs, bauhinin, bauhinilide, and dehydrodicatechin A, have been isolated from an ethanol extract of Bauhinia aurea. Their structures were determined by spectroscopic and chemical methods.

Levels of chemical contaminants in nonoccupationally exposed U. S. residents

Energy Technology Data Exchange (ETDEWEB)

Holleman, J.W.; Hammons, A.S.

1978-08-01

Data are presented on the levels of all chemical contaminants resulting from environmental pollution which have been found in human tissues including blood, urine, breast milk, and tissue samples obtained at autopsy. Most data results from specific surveys to determine health hazards. The roles of trace elements and recognition of the need to determine baseline levels of chemicals introduced into the environment are factors which have motivated surveys by individual investigators. Thus, most data on chemicals in human tissues record levels of pesticides (e.g., DDT and metabolites), levels of trace metals such as lead, cadmium, and mercury, or levels of nutritionally essential elements such as zinc, copper, manganese, and fluoride. Data available on iron and calcium are not presented as their presence in the environment is generally not considered hazardous. Data on several uncommon chemicals, such as indium and ytterbium, are included basically as items of interest and to further document their presence in healthy individuals. Baseline data were presented where available to provide perspective as to chemical levels which might be expected under conditions where exposure could be considered normal or not directly related to a pollutant source. Nearly 600 cited surveys or investigations, most of which were reported within the past decade, are listed. Ninety-four different chemical contaminants, primarily trace metals and organochlorine pesticides, are reported. It is estimated that over 75% of the data published during the past 30 years on chemical contaminants derived from environmental pollution and found in human tissue in the United States are represented in this report.

Levels of chemical contaminants in nonoccupationally exposed U.S. residents

International Nuclear Information System (INIS)

Holleman, J.W.; Hammons, A.S.

1978-08-01

Data are presented on the levels of all chemical contaminants resulting from environmental pollution which have been found in human tissues including blood, urine, breast milk, and tissue samples obtained at autopsy. Most data results from specific surveys to determine health hazards. The roles of trace elements and recognition of the need to determine baseline levels of chemicals introduced into the environment are factors which have motivated surveys by individual investigators. Thus, most data on chemicals in human tissues record levels of pesticides (e.g., DDT and metabolites), levels of trace metals such as lead, cadmium, and mercury, or levels of nutritionally essential elements such as zinc, copper, manganese, and fluoride. Data available on iron and calcium are not presented as their presence in the environment is generally not considered hazardous. Data on several uncommon chemicals, such as indium and ytterbium, are included basically as items of interest and to further document their presence in healthy individuals. Baseline data were presented where available to provide perspective as to chemical levels which might be expected under conditions where exposure could be considered normal or not directly related to a pollutant source. Nearly 600 cited surveys or investigations, most of which were reported within the past decade, are listed. Ninety-four different chemical contaminants, primarily trace metals and organochlorine pesticides, are reported. It is estimated that over 75% of the data published during the past 30 years on chemical contaminants derived from environmental pollution and found in human tissue in the United States are represented in this report

Prioritization methodology for chemical replacement

Science.gov (United States)

Cruit, Wendy; Goldberg, Ben; Schutzenhofer, Scott

1995-01-01

Since United States of America federal legislation has required ozone depleting chemicals (class 1 & 2) to be banned from production, The National Aeronautics and Space Administration (NASA) and industry have been required to find other chemicals and methods to replace these target chemicals. This project was initiated as a development of a prioritization methodology suitable for assessing and ranking existing processes for replacement 'urgency.' The methodology was produced in the form of a workbook (NASA Technical Paper 3421). The final workbook contains two tools, one for evaluation and one for prioritization. The two tools are interconnected in that they were developed from one central theme - chemical replacement due to imposed laws and regulations. This workbook provides matrices, detailed explanations of how to use them, and a detailed methodology for prioritization of replacement technology. The main objective is to provide a GUIDELINE to help direct the research for replacement technology. The approach for prioritization called for a system which would result in a numerical rating for the chemicals and processes being assessed. A Quality Function Deployment (QFD) technique was used in order to determine numerical values which would correspond to the concerns raised and their respective importance to the process. This workbook defines the approach and the application of the QFD matrix. This technique: (1) provides a standard database for technology that can be easily reviewed, and (2) provides a standard format for information when requesting resources for further research for chemical replacement technology. Originally, this workbook was to be used for Class 1 and Class 2 chemicals, but it was specifically designed to be flexible enough to be used for any chemical used in a process (if the chemical and/or process needs to be replaced). The methodology consists of comparison matrices (and the smaller comparison components) which allow replacement technology

Thermodynamics of nuclear track chemical etching

Science.gov (United States)

Rana, Mukhtar Ahmed

2018-05-01

This is a brief paper with new and useful scientific information on nuclear track chemical etching. Nuclear track etching is described here by using basic concepts of thermodynamics. Enthalpy, entropy and free energy parameters are considered for the nuclear track etching. The free energy of etching is determined using etching experiments of fission fragment tracks in CR-39. Relationship between the free energy and the etching temperature is explored and is found to be approximately linear. The above relationship is discussed. A simple enthalpy-entropy model of chemical etching is presented. Experimental and computational results presented here are of fundamental interest in nuclear track detection methodology.

Development of a Persistent Chemical Agent Simulator System (PCASS)

Science.gov (United States)

Mcginness, W. G.

1983-01-01

The development of a persistent chemical agent simulation system (PCASS) is described. This PCASS is to be used for the military training of troops to simulate actual chemical warfare. The purpose of this system is to facilitate in the determination of chemical contamination and effectiveness of decontamination for training purposes. The fluorescent tracer employed has no daylight activation, but yet is easily removed with a decontaminate solution or water and surfactants. Also employed is a time delayed color developing system. When an individual is subjected to the PCASS and does not decontaminate adequately, red blotches or red coloration will develop as a function of time and temperature. The intent of this is to simulate the delayed chemical reaction of mustard contaminates.

Determining Pull-Out Deformations by Means of an Online Photogrammetry Monitoring System

Directory of Open Access Journals (Sweden)

Emin Özgür Avşar

2015-03-01

Full Text Available Chemical anchorages are applied in many engineering implementations, particularly strengthening of reinforced concrete structures. During strengthening procedure; chemical anchorages should be tested, since they supply to transfer the load between existing construction elements and newly added elements. Therefore; the study of the quality of chemical anchorages is an important issue in construction materials science. In this context; the most important experiment is to determine the pull-out loads of embedded anchorage reinforcement by applying axial loads. In this study; it is aimed to determine the displacements of steel reinforcements, embedded into concrete by using chemical anchorages, while applying axial pulling loads. In order to determine the displacements and load - deformation graphs; starting conditions and every 10 bar pressure applied conditions of the steel reinforcements were captured by the cameras. The obtained images were evaluated by using photogrammetric software. Based on the photogrammetric post-processing results, the load - deformation graphs were plotted and the loads at loss of adhesion were determined

Enhanced understanding of the relationship between chemical modification and mechanical properties of wood

Science.gov (United States)

Charles R. Frihart; Daniel J. Yelle; John Ralph; Robert J. Moon; Donald S. Stone; Joseph E. Jakes

2008-01-01

Chemical additions to wood often change its bulk properties, which can be determined using conventional macroscopic mechanical tests. However, the controlling interactions between chemicals and wood take place at and below the scale of individual cells and cell walls. To better understand the effects of chemical additions to wood, we have adapted and extended two...

77 FR 67397 - Importer Of Controlled Substances; Notice of Registration; Boehringer Ingelheim Chemicals, Inc.

Science.gov (United States)

2012-11-09

... Registration; Boehringer Ingelheim Chemicals, Inc. By Notice dated July 17, 2012, and published in the Federal Register on July 26, 2012, 77 FR 43861, Boehringer Ingelheim Chemicals, Inc., 2820 N. Normandy Drive...), and determined that the registration of Boehringer Ingelheim Chemicals, Inc., to import the basic...

Effect of chemical structure on the radioactive decay rate of 71Ge

International Nuclear Information System (INIS)

Makariunas, K.; Makariuniene, E.; Dragunas, A.

1979-01-01

The influence of the chemical structure on the electron capture radioactive decay rate of 71 Ge was observed. 71 Ge nuclei in bivalent sulphide GeS decay faster than in quadrivalent sulphide GeS 2 . The relative change Δlambda/lambda of the decay constant lambda is + (11.4 +- 1.7) X 10 -4 . A possibility to use the experimental values of Δlambda/lambda to determine the chemical changes in the electron density at germanium nuclei in germanium chemical compounds is discussed. Quantitative determination of the changes in the electron density is complicated because of insufficient reliability of the published values of exchange and overlap corrections to the electron capture probabilities. (Auth.)

Negative chemical ionization GC/MS determination of nitrite and nitrate in seawater using exact matching double spike isotope dilution and derivatization with triethyloxonium tetrafluoroborate.

Science.gov (United States)

Pagliano, Enea; Meija, Juris; Sturgeon, Ralph E; Mester, Zoltan; D'Ulivo, Alessandro

2012-03-06

The alkylation of nitrite and nitrate by triethyloxonium tetrafluoroborate allows determination of their ethyl esters by headspace gas chromatography/mass spectrometry (GC/MS). In the present study, significant improvement in analytical performance is achieved using negative chemical ionization providing detection limits of 150 ng/L for NO(2)(-) and 600 ng/L for NO(3)(-), an order of magnitude better than those achieved using electron impact ionization. The derivatization procedure was optimized and alkaline conditions adopted to minimize conversion of nitrite to nitrate (determined to be 0.07% at 100 mg/L NO(2)(-)) and to avoid the exchange of oxygen between the analytes and the solvent (water). Quantitation entails use of isotopically enriched standards (N(18)O(2)(-) and (15)NO(3)(-)), which also permits monitoring of potential conversion from nitrite to nitrate during the analysis (double spike isotope dilution).

Social context influences chemical communication in D. melanogaster males.

Science.gov (United States)

Kent, Clement; Azanchi, Reza; Smith, Ben; Formosa, Amanda; Levine, Joel D

2008-09-23

Chemical communication mediates social interactions in insects. For the fruit fly, D. melanogaster, the chemical display is a key fitness trait because it leads to mating. An exchange of cues that resembles a dialogue between males and females is enacted by pheromones, chemical signals that pass between individual flies to alter physiology and behavior. Chemical signals also affect the timing of locomotor activity and sleep. We investigated genetic and environmental determinants of chemical communication. To evaluate the role of the social environment, we extracted a chemical blend from individual males selected from groups composed of one genotype and compared these extracts to those from groups of mixed genotypes. To evaluate the role of the physical environment, these comparisons were performed under a light-dark cycle or in constant darkness. Here, we show that chemical signaling is affected by the social environment, light-dark cycle, and genotype as well as the complex interplay of these variables. Gene-by-environment interactions produce highly significant effects on chemical signaling. We also examined individual responses within the groups. Strikingly, the response of one wild-type fly to another is modulated by the genotypic composition of his neighbors. Chemical signaling in D. melanogaster may be a "fickle" trait that depends on the individual's social background.

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

Chemical dissolution of sulfide minerals

Science.gov (United States)

Chao, T.T.; Sanzolone, R.F.

1977-01-01

Chemical dissolution treatments involving the use of aqua regia, 4 N HNO3, H2O2-ascorbic acid, oxalic acid, KClO3+HCl, and KClO3+HCl followed by 4 N HNO3 were applied to specimens of nine common sulfide minerals (galena, chalcopyrite, cinnabar, molybdenite, orpiment, pyrite, stibnite, sphalerite, and tetrahedrite) mixed individually with a clay loam soil. The resultant decrease in the total sulfur content of the mixture, as determined by using the Leco induction furnace, was used to evaluate the effectiveness of each chemical treatment. A combination of KClO3+HCl followed by 4 N HNO3 boiling gently for 20 min has been shown to be very effective in dissolving all the sulfide minerals. This treatment is recommended to dissolve metals residing in sulfide minerals admixed with secondary weathering products, as one step in a fractionation scheme whereby metals in soluble and adsorbed forms, and those associated with organic materials and secondary oxides, are first removed by other chemical extractants.

DOE contractor's meeting on chemical toxicity

Energy Technology Data Exchange (ETDEWEB)

1987-01-01

The Office of Health and Environmental Research (OHER) is required to determine the potential health and environmental effects associated with energy production and use. To ensure appropriate communication among investigators and scientific disciplines that these research studies represent, OHER has sponsored workshops. This document provides a compilation of activities at the Third Annual DOE/OHER Workshop. This year's workshop was broadened to include all OHER activities identified as within the chemical effects area. The workshop consisted of eight sessions entitled Isolation and Detection of Toxic chemicals; Adduct Formation and Repair; Chemical Toxicity (Posters); Metabolism and Genotoxicity; Inhalation Toxicology; Gene Regulation; Metals Toxicity; and Biological Mechanisms. This document contains abstracts of the information presented by session.

Liquid chromatography tandem mass spectrometry determination of chemical markers and principal component analysis of Vitex agnus-castus L. fruits (Verbenaceae) and derived food supplements.

Science.gov (United States)

Mari, Angela; Montoro, Paola; Pizza, Cosimo; Piacente, Sonia

2012-11-01

A validated analytical method for the quantitative determination of seven chemical markers occurring in a hydroalcoholic extract of Vitex agnus-castus fruits by liquid chromatography electrospray triple quadrupole tandem mass spectrometry (LC/ESI/(QqQ)MSMS) is reported. To carry out a comparative study, five commercial food supplements corresponding to hydroalcoholic extracts of V. agnus-castus fruits were analysed under the same chromatographic conditions of the crude extract. Principal component analysis (PCA), based only on the variation of the amount of the seven chemical markers, was applied in order to find similarities between the hydroalcoholic extract and the food supplements. A second PCA analysis was carried out considering the whole spectroscopic data deriving from liquid chromatography electrospray linear ion trap mass spectrometry (LC/ESI/(LIT)MS) analysis. High similarity between the two PCA was observed, showing the possibility to select one of these two approaches for future applications in the field of comparative analysis of food supplements and quality control procedures. Copyright © 2012 Elsevier B.V. All rights reserved.

CHEMICALS

CERN Multimedia

Medical Service

2002-01-01

It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

The Lewis Chemical Equilibrium Program with parametric study capability

Science.gov (United States)

Sevigny, R.

1981-01-01

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

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)

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

Chemical effect on ozone deposition over seawater

Science.gov (United States)

Surface layer resistance plays an important role in determining ozone deposition velocity over seawater. Recent studies suggest that surface layer resistance over sea-water is influenced by wind-speed and chemical interaction at the air-water interface. Here, we investigate the e...

Determination method of radiostrontium

International Nuclear Information System (INIS)

1984-01-01

This manual provides determination methods of strontium-90 and strontium-89 in the environment released from nuclear facilities, and it is a revised edition of the previous manual published in 1974. As for the preparation method of radiation counting sample, ion exchange method, oxalate separation method and solvent extraction method were adopted in addition to the method of fuming nitric acid separation adopted in the previous edition. Strontium-90 is determined by the separation and radioactivity determination of yttrium-90 in radioequilibrium with strontium-90. Strontium-89 is determined by subtraction of radioactivity of strontium-90 plus yttrium-90 from gross radioactivity of isolated strontium carbonate. Radioactivity determination should be carried out with a low-background 2 π-gas-flow counting system for the mounted sample on a filter having a chemical form of ferric hydroxide, yttrium oxalate or strontium carbonate. This manual describes sample preparation procedures as well as radioactivity counting procedures for environmental samples of precipitates as rain or snow, airborne dust, fresh water, sea water and soil, and also for ash sample made from biological or food samples such as grains, vegetables, tea leaves, pine needle, milk, marine organisms, and total diet, by employing a method of fuming nitric acid separation, ion exchange separation, oxalate precipitate separation or solvent extraction separation (only for an ash sample). Procedures for reagent chemicals preparation is also attached to this manual. (Takagi, S.)

Chemical elements in egg shell of a commercial strain of domestic ...

African Journals Online (AJOL)

A study was conducted to determine the chemical elements of the egg shell of exotic commercial pullets (Lohmann) in their first laying year. A total of 160 eggs from eighty pullets were randomly selected at three-monthly intervals during the production year for the ddermination of chemical elements or the eggshell.

EFFICIENCY OF THE CHEMICAL TREATMENT AGAINST THE EUROPEAN CORN BORER IN SEED MAIZE PRODUCTION

Directory of Open Access Journals (Sweden)

Emilija Raspudić

2013-06-01

Full Text Available The aim of this study was to determine the effectiveness of a chemical treatment against larvae of the European corn borer (Ostrinia nubilalis Hubner. The experiment was set up in 2010 and 2011 in Čepin (eastern Croatia in two treatments: control treatment and insecticide treatment. The trial involved two hybrids of FAO group 400: PR37N01 and PR37F73. Biology of pests was monitored in order to determine population size and larvae development stage as well as the optimal time of insecticide application. After determination of thresholds, maize was treated with chemical formulations of active substance dimethoate. Towards the end of vegetation, length of stem damage, number of larvae in maize stalk and ear as well as grain yield were recorded by dissection of maize stalks. Statistical analysis shows that year, hybrid and chemical treatment significantly influenced the incidence of this pest and justified the use of chemical preparations with mandatory monitoring biology of this pest.

Determination of mercury in food by neutron activation

International Nuclear Information System (INIS)

Anand, S.J.S.

1976-01-01

Determination of mercury in food samples has been carried out by neutron activation followed by chemical separation to remove the interfering activities of copper, zinc etc. Chemical separation was carried out using anion exchange resin (DOWEX 1x8). Mercury was determined by counting 77 keV γ-rays of 197 Hg on a NaI(Tl) crystal in conjunction with a 400-channel pulse-height analyser. Levels of mercury in the following foods are tabulated: rice, wheat, pulses, millets, leafy vegetables, flower, carrot, potato, tomato, onion, chilli powder, sugar, tea leaves, milk. (T.I.)

Determination of mercury in food by neutron activation

Energy Technology Data Exchange (ETDEWEB)

Anand, S J.S. [Bhabha Atomic Research Centre, Bombay (India). Air Monitoring Section

1976-01-01

Determination of mercury in food samples has been carried out by neutron activation followed by chemical separation to remove the interfering activities of copper, zinc etc. Chemical separation was carried out using anion exchange resin (DOWEX 1x8). Mercury was determined by counting 77 keV ..gamma..-rays of /sup 197/Hg on a NaI(Tl) crystal in conjunction with a 400-channel pulse-height analyser. Levels of mercury in the following foods are tabulated: rice, wheat, pulses, millets, leafy vegetables, flower, carrot, potato, tomato, onion, chilli powder, sugar, tea leaves, milk.

78 FR 64018 - Manufacturer of Controlled Substances; Notice of Registration; Boehringer Ingelheim Chemicals, Inc.

Science.gov (United States)

2013-10-25

...; Notice of Registration; Boehringer Ingelheim Chemicals, Inc. By Notice dated June 18, 2013, and published in the Federal Register on July 1, 2013, 78 FR 39340, Boehringer Ingelheim Chemicals, Inc., 2820 N... 21 U.S.C. 823(a) and determined that the registration of Boehringer Ingelheim Chemicals, Inc., to...

Application of volt-chins for determination of ionic components in real and chemical Gibbs transition energies of individual ions from water in aqueous-organic solvents

International Nuclear Information System (INIS)

Parfenyuk, V.I.

2007-01-01

Thermodynamic description of separate ions (among which is I - ) in individual and mixed solvents is conducted on the basis of the volt potential difference method. Application of the presented methodology serves as one of candidates problem solving of individual ions thermodynamic characterisation in solutions. Validity of application of the volt potential difference method for the determination of ionic components in real and chemical thermodynamic properties of separate ions in solutions as well as surface potential values on the solution-gas phase interfaces is demonstrated [ru

Swept frequency acoustic interferometry technique for chemical weapons verification and monitoring

Energy Technology Data Exchange (ETDEWEB)

Sinha, D.N.; Anthony, B.W.; Lizon, D.C.

1995-03-01

Nondestructive evaluation (NDE) techniques are important for rapid on-site verification and monitoring of chemical munitions, such as artillery shells and bulk containers. Present NDE techniques provide only limited characterizations of such munitions. This paper describes the development of a novel noninvasive technique, swept-frequency acoustic interferometry (SFAI), that significantly enhances the capability of munitions characterizations. The SFAI technique allows very accurate and simultaneous determination of sound velocity and attenuation of chemical agents over a large frequency range inside artillery shells, in addition to determining agent density. The frequency-dependent sound velocity and attenuation can, in principle, provide molecular relaxation properties of the chemical agent. The same instrument also enables a direct fill-level measurement in bulk containers. Industrial and other applications of this general-purpose technique are also discussed.

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

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

ANALYSIS OF CHEMICAL AND PHASE TRANSITIONS OF MULTICOMPONENT ALLOYS UNDER PULSED LASER EXPOSURE IN THE AIR BY METHODS OF CHEMICAL THERMODYNAMICS

Directory of Open Access Journals (Sweden)

V. P. Veiko

2013-03-01

Full Text Available The article deals with computational thermodynamic method for determination of phase chemical composition of metal alloys surface formed under laser action in the atmosphere, depending on its volume components, conditions of laser exposure and atmosphere composition. By giving an example of laser heating of complex alloy (alloyed steel in the air it is demonstrated that from a set of various possible reactions of interaction between iron, nickel or chrome with air components (oxygen, nitrogen, carbon, their compounds, atmospheric moisture, etc., only strictly defined reactions are realized. Primarily, these are metal oxidation processes with the formation of an oxide film, whose phase and chemical composition is determined by temperature and heating time. Calculation data are confirmed by the experimental data provided by energy-dispersive X-ray spectroscopy.

[Determination of short chain chlorinated paraffins in polyvinyl chloride plastics by gas chromatography-negative chemical ion/mass spectrometry].

Science.gov (United States)

Xing, Yuanna; Lin, Zhihui; Feng, Anhong; Wang, Xin; Gong, Yemeng; Chen, Zeyong

2015-02-01

A novel method was established to determine short chain chlorinated paraffins (SC-CPs) in polyvinyl chloride (PVC) plastics by gas chromatography-negative chemical ion/mass spectrometry (GC-NCI/MS). Ultrasonic extraction was used to extract SCCPs from PVC plastics. The optimal extraction time was 1.5 h, and concentrated sulfuric acid was adopted to purify the extracted solution. Finally, SCCPs in a sample were detected by GC-NCI/MS at 160 C and with methane reagent gas at 1. 5 mL/min. This method was not influenced by medium chain chlorinated paraffins (MCCPs) in the sample, and accurate quantitation was made for SCCPs. Twelve batches of samples were analyzed and SCCPs were detected in each batch with the contents from 0. 3 x 10(2)mg/kg to 3. 5 x 10(4)mg/kg. With respect to European limitation of SC-CPs (1%), four batches of samples did not comply with the European regulation, and they accounted for 33. 3%. Obviously, high SCCPs risk was presented in PVC plastics.

Effects of Protein-pheromone Complexation on Correlated Chemical Shift Modulations

International Nuclear Information System (INIS)

Perazzolo, Chiara; Wist, Julien; Loth, Karine; Poggi, Luisa; Homans, Steve; Bodenhausen, Geoffrey

2005-01-01

Major urinary protein (MUP) is a pheromone-carrying protein of the lipocalin family. Previous studies by isothermal titration calorimetry (ITC) show that the affinity of MUP for the pheromone 2-methoxy-3-isobutylpyrazine (IBMP) is mainly driven by enthalpy, with a small unfavourable entropic contribution. Entropic terms can be attributed in part to changes in internal motions of the protein upon binding. Slow internal motions can lead to correlated or anti-correlated modulations of the isotropic chemical shifts of carbonyl C' and amide N nuclei. Correlated chemical shift modulations (CSM/CSM) in MUP have been determined by measuring differences of the transverse relaxation rates of zero- and double-quantum coherences ZQC{C'N} and DQC{C'N}, and by accounting for the effects of correlated fluctuations of dipole-dipole couplings (DD/DD) and chemical shift anisotropies (CSA/CSA). The latter can be predicted from tensor parameters of C' and N nuclei that have been determined in earlier work. The effects of complexation on slow time-scale protein dynamics can be determined by comparing the temperature dependence of the relaxation rates of APO-MUP (i.e., without ligand) and HOLO-MUP (i.e., with IBMP as a ligand)

Chemical Emergencies

Science.gov (United States)

When a hazardous chemical has been released, it may harm people's health. Chemical releases can be unintentional, as in the case of an ... the case of a terrorist attack with a chemical weapon. Some hazardous chemicals have been developed by ...

The behavior of various chemical forms of nickel in graphite furnace atomic absorption spectrometry under different chemical modification approaches

International Nuclear Information System (INIS)

Kowalewska, Zofia

2012-01-01

Various organic and inorganic Ni forms were investigated using graphite furnace atomic absorption spectrometry. Experiments without chemical modification showed a wide range of characteristic mass values for Ni (from 6.7 to 29 pg) and the importance of interaction with graphite. With the aim of achieving signal unification of organic Ni forms, different ways of chemical modification were tested. Some rules that govern the behavior of Ni were found and confirmed a significant role of the organic component of the analyte molecule in the analytical process. The application of air as an internal furnace gas in the pyrolysis phase and the Pd modifier injected with the sample solution improved the signal of porphyrins, while the application of iodine and methyltrioctylammonium chloride was required for organic compounds containing oxygen-bound Ni atoms. The Ni signal was strongly diminished when an aqueous solution containing hydrochloric acid was measured with the Pd modifier injected over the sample. Using the developed analytical methods, the range of characteristic mass values for various Ni forms totally dissolved in organic or aqueous solution was 6.5–7.9 pg. - Highlights: ► Some rules that govern behavior of organic Ni forms during GFAAS analysis were found. ► Interaction with graphite can significantly influence evaporation of porphyrins. ► Determination of Ni in form of porphyrins needs Pd organic modifier and air ashing. ► Determination of Ni in O-bound organic compounds needs pretreatment with I2+MTOACl. ► Chemical modification for GFAAS determination of Ni in HCl-containing solution.

The Chemical Composition of Grape Fibre

Directory of Open Access Journals (Sweden)

Jolana Karovičová

2015-05-01

Full Text Available Dietary fibres from cereals are much more used than dietary fibres from fruits; however, dietary fibres from fruits have better quality. In recent years, for economic and environmental reasons, there has been a growing pressure to recover and exploit food wastes. Grape fibre is used to fortify baked goods, because the fibre can lower blood sugar, cut cholesterol and may even prevent colon cancer. Grape pomace is a functional ingredient in bakery goods to increase total phenolic content and dietary fibre in nourishment. The aim of this study was to determine the chemical composition of commercial fibres, obtained from different Grape sources concerning their chemical properties such as moisture, ash, fat, protein, total dietary fibre. The chemical composition of Grape fibre is known to vary depending on the Grape cultivar, growth climates, and processing conditions. The obliged characteristics of the fibre product are: total dietary fibre content above 50%, moisture lower than 9%, low content of lipids, a low energy value and neutral flavour and taste. Grape pomace represents a rich source of various high-value products such as ethanol, tartrates and malates, citric acid, Grape seed oil, hydrocolloids and dietary fibre. Used commercial Grape fibres have as a main characteristic, the high content of total dietary fibre. Amount of total dietary fibre depends on the variety of Grapes. Total dietary fibre content (TDF in our samples of Grape fibre varied from 56.8% to 83.6%. There were also determined low contents of moisture (below 9%. In the samples of Grape fibre were determined higher amount of protein (8.6 - 10.8%, mineral (1.3 - 3.8% and fat (2.8 - 8.6%. This fact opens the possibility of using both initial by-products as ingredients in the food industry, due to the effects associated with the high total dietary fibre content.

A stochastic approach to chemical evolution

International Nuclear Information System (INIS)

Copi, C.J.

1997-01-01

Observations of elemental abundances in the Galaxy have repeatedly shown an intrinsic scatter as a function of time and metallicity. The standard approach to chemical evolution does not attempt to address this scatter in abundances since only the mean evolution is followed. In this work, the scatter is addressed via a stochastic approach to solving chemical evolution models. Three simple chemical evolution scenarios are studied using this stochastic approach: a closed box model, an infall model, and an outflow model. These models are solved for the solar neighborhood in a Monte Carlo fashion. The evolutionary history of one particular region is determined randomly based on the star formation rate and the initial mass function. Following the evolution in an ensemble of such regions leads to the predicted spread in abundances expected, based solely on different evolutionary histories of otherwise identical regions. In this work, 13 isotopes are followed, including the light elements, the CNO elements, a few α-elements, and iron. It is found that the predicted spread in abundances for a 10 5 M circle-dot region is in good agreement with observations for the α-elements. For CN, the agreement is not as good, perhaps indicating the need for more physics input for low-mass stellar evolution. Similarly for the light elements, the predicted scatter is quite small, which is in contradiction to the observations of 3 He in HII regions. The models are tuned for the solar neighborhood so that good agreement with HII regions is not expected. This has important implications for low-mass stellar evolution and on using chemical evolution to determine the primordial light-element abundances in order to test big bang nucleosynthesis. copyright 1997 The American Astronomical Society

Development of a general model for determination of thermal conductivity of liquid chemical compounds at atmospheric pressure

DEFF Research Database (Denmark)

Gharagheizi, Farhad; Ilani‐Kashkouli, Poorandokht; Sattari, Mehdi

2013-01-01

In this communication, a general model for representation/presentation of the liquid thermal conductivity of chemical compounds (mostly organic) at 1 atm pressure for temperatures below normal boiling point and at saturation pressure for temperatures above the normal boiling point is developed...... using the Gene Expression Programming algorithm. Approximately 19,000 liquid thermal conductivity data at different temperatures related to 1636 chemical compounds collected from the DIPPR 801 database are used to obtain the model as well as to assess its predictive capability. The parameters...

Algorithm For Hypersonic Flow In Chemical Equilibrium

Science.gov (United States)

Palmer, Grant

1989-01-01

Implicit, finite-difference, shock-capturing algorithm calculates inviscid, hypersonic flows in chemical equilibrium. Implicit formulation chosen because overcomes limitation on mathematical stability encountered in explicit formulations. For dynamical portion of problem, Euler equations written in conservation-law form in Cartesian coordinate system for two-dimensional or axisymmetric flow. For chemical portion of problem, equilibrium state of gas at each point in computational grid determined by minimizing local Gibbs free energy, subject to local conservation of molecules, atoms, ions, and total enthalpy. Major advantage: resulting algorithm naturally stable and captures strong shocks without help of artificial-dissipation terms to damp out spurious numerical oscillations.

Health risk assessment of chemical pollutants in a petrochemical complex

Directory of Open Access Journals (Sweden)

F Golbabaie

2012-12-01

Full Text Available   Background and Aims: workers in petrochemical industries are exposed to various contaminants and are facing to serious hazards, therefore a comprehensive risk assessment program for identification of hazardous chemicals that affect human health and also determination of hazardous tasks and processes is necessary.     Methods : This descriptive cross-sectional study was conducted in three stages. First stage consisted of identifying hazardous chemicals and determination of chemicals risk ratio, the second stage included the evaluation of worker's exposure to hazardous chemicals, and the third stage was estimating the relative risk of blood cancer caused by exposure to benzene through epidemiological studies.     Results: With regard to risk assessment method, 40 chemicals were identified in this Petrochemical Company. Among them, Benzene introduced as the most hazardous chemical. The results of the second stage showed that site man workers in noon shift work and in aromatic site with mean exposure 4.29 ppm had the highest exposure to benzene. The results of estimated leukemia relative risk stage in benzene exposure, the highest relative risk in workers related to site man workers in aromatic units with cumulative benzene exposure of 4.149 ppm. Years that obtained the relative risk of 2.3. The statistical test results showed that the relationship between worker's exposure to benzene and their job was significant(p<0/001     Conclusion : This study showed that benzene with a risk ratio of 4.5 -5 have 5th rank in risk levels and this indicates that preventative actions regarding to this hazardous and carcinogenic chemical must be started as soon as possible.

Data on the chemical properties of commercial fish sauce products.

Science.gov (United States)

Nakano, Mitsutoshi; Sagane, Yoshimasa; Koizumi, Ryosuke; Nakazawa, Yozo; Yamazaki, Masao; Watanabe, Toshihiro; Takano, Katsumi; Sato, Hiroaki

2017-12-01

This data article reports on the chemical properties of commercial fish sauce products associated with the fish sauce taste and flavor. All products were analyzed in triplicate. Dried solid content was analyzed by moisture analyzer. Fish sauce salinity was determined by a salt meter. pH was measured using a pH meter. The acidity was determined using a titration assay. Amino nitrogen and total nitrogen were evaluated using a titration assay and Combustion-type nitrogen analyzer, respectively. The analyzed products originated from Japan, Thailand, Vietnam, China, the Philippines, and Italy. Data on the chemical properties of the products are provided in table format in the current article.

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

Science.gov (United States)

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

2001-01-01

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

Extraction Tools for Identification of Chemical Contaminants in Estuarine and Coastal Waters to Determine Toxic Pressure on Primary Producers

NARCIS (Netherlands)

Booij, P; Sjollema, S.B.; Leonards, P.E.G.; de Voogt, P.; Stroomberg, G.J.; Vethaak, A.D.; Lamoree, M.H.

2013-01-01

The extent to which chemical stressors affect primary producers in estuarine and coastal waters is largely unknown. However, given the large number of legacy pollutants and chemicals of emerging concern present in the environment, this is an important and relevant issue that requires further study.

CHEMICAL PROPERTIES STUDYS OF PEATLANDON VARIOUS LANDUSE

Directory of Open Access Journals (Sweden)

Yondra Yondra

2017-12-01

Full Text Available Natural peat swamp forests converted can alter the soil chemical properties. This study aims to determine the extent to which changes in soil chemical properties that occur after the conversion of land from peat swamp forest to palm oil plantation, HTI Acacia crasicarpa, and sago plantation and to know which types of plants are sustainable on peatlands. The results showed that soil pH increased after the change of land function. While the water content decreased. Chemical properties such as C-organic, ash content, CEC, alkaline saturation, macro nutrients (NPK and bases can be changed also undergo changes after undergoing landuse changes, but no violations based on the law made by the government in pp No 25 of 2000 on the criteria of peatland damage and government regulation no. 150 of 2000 on the control of soil damage for biomass production. Sago is the most sustainable plant compared to others due to changes in soil chemical properties not too much different from other landuse although planted in the long term.

Mass Spectrometric Determination of Chemical Warfare Agents in Indoor Sample Media Typically Collected During Forensic Investigations

National Research Council Canada - National Science Library

D'Agostino, P. A; Hancock, J. R; Chenier, C. L

2005-01-01

.... DRDC Suffield, in collaboration with the Royal Canadian Mounted Police, identified a need for analytical methods for chemical warfare agent identification in media, including flooring, wall surfaces...

Using a moving measurement platform for determining the chemical composition of atmospheric aerosols between Moscow and Vladivostok

Directory of Open Access Journals (Sweden)

S. Kuokka

2007-09-01

Full Text Available The TROICA-9 expedition (Trans-Siberian Observations Into the Chemistry of the Atmosphere was carried out at the Trans-Siberian railway between Moscow and Vladivostok in October 2005. Measurements of aerosol physical and chemical properties were made from an observatory carriage connected to a passenger train. Black carbon (BC concentrations in fine particles (PM_2.5, aerodynamic diameter <2.5 μm were measured with an aethalometer using a five-minute time resolution. Concentrations of inorganic ions and some organic compounds (Cl⁻, NO₃⁻, SO₄²⁻, Na⁺, NH₄⁺, K⁺, Ca²⁺, Mg²⁺, oxalate and methane sulphonate were measured continuously by using an on-line system with a 15-min time resolution. In addition, particle volume size distributions were determined for particles in the diameter range 3–850 nm using a 10-min time resolution. The continuous measurements were completed with 24-h PM_2.5 filter samples stored in a refrigerator and analyzed later in a chemical laboratory. The analyses included the mass concentrations of PM_2.5, ions, monosaccharide anhydrides (levoglucosan, galactosan and mannosan and trace elements (Al, As, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb, Sb, V and Zn. The mass concentrations of PM_2.5 varied in the range of 4.3–34.8 μg m⁻³ with an average of 21.6 μg m⁻³. Fine particle mass consisted mainly of BC (average 27.6%, SO₄²⁻ (13.0%, NH₄⁺ (4.1% and NO₃⁻ (1.4%. One of the major constituents was obviously organic carbon which was not determined. The contribution of BC was high compared with other studies made in Europe and Asia. High concentrations of ions, BC and particle volume were observed between Moscow and roughly 4000 km east of it, as well as close to Vladivostok

Chemical Method of Urine Volume Measurement

Science.gov (United States)

Petrack, P.

1967-01-01

A system has been developed and qualified as flight hardware for the measurement of micturition volumes voided by crewmen during Gemini missions. This Chemical Urine Volume Measurement System (CUVMS) is used for obtaining samples of each micturition for post-flight volume determination and laboratory analysis for chemical constituents of physiological interest. The system is versatile with respect to volumes measured, with a capacity beyond the largest micturition expected to be encountered, and with respect to mission duration of inherently indefinite length. The urine sample is used for the measurement of total micturition volume by a tracer dilution technique, in which a fixed, predetermined amount of tritiated water is introduced and mixed into the voided urine, and the resulting concentration of the tracer in the sample is determined with a liquid scintillation spectrometer. The tracer employed does not interfere with the analysis for the chemical constituents of the urine. The CUVMS hardware consists of a four-way selector valve in which an automatically operated tracer metering pump is incorporated, a collection/mixing bag, and tracer storage accumulators. The assembled system interfaces with a urine receiver at the selector valve inlet, sample bags which connect to the side of the selector valve, and a flexible hose which carries the excess urine to the overboard drain connection. Results of testing have demonstrated system volume measurement accuracy within the specification limits of +/-5%, and operating reliability suitable for system use aboard the GT-7 mission, in which it was first used.

Spectra of chemical trees

International Nuclear Information System (INIS)

Balasubramanian, K.

1982-01-01

A method is developed for obtaining the spectra of trees of NMR and chemical interests. The characteristic polynomials of branched trees can be obtained in terms of the characteristic polynomials of unbranched trees and branches by pruning the tree at the joints. The unbranched trees can also be broken down further until a tree containing just two vertices is obtained. The effectively reduces the order of the secular determinant of the tree used at the beginning to determinants of orders atmost equal to the number of vertices in the branch containing the largest number of vertices. An illustrative example of a NMR graph is given for which the 22 x 22 secular determinant is reduced to determinants of orders atmost 4 x 4 in just the second step of the algorithm. The tree pruning algorithm can be applied even to trees with no symmetry elements and such a factoring can be achieved. Methods developed here can be elegantly used to find if two trees are cospectral and to construct cospectral trees

Non-equilibrium reaction rates in chemical kinetic equations

Science.gov (United States)

Gorbachev, Yuriy

2018-05-01

Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

An integrated multi-label classifier with chemical-chemical interactions for prediction of chemical toxicity effects.

Science.gov (United States)

Liu, Tao; Chen, Lei; Pan, Xiaoyong

2018-05-31

Chemical toxicity effect is one of the major reasons for declining candidate drugs. Detecting the toxicity effects of all chemicals can accelerate the procedures of drug discovery. However, it is time-consuming and expensive to identify the toxicity effects of a given chemical through traditional experiments. Designing quick, reliable and non-animal-involved computational methods is an alternative way. In this study, a novel integrated multi-label classifier was proposed. First, based on five types of chemical-chemical interactions retrieved from STITCH, each of which is derived from one aspect of chemicals, five individual classifiers were built. Then, several integrated classifiers were built by integrating some or all individual classifiers. By testing the integrated classifiers on a dataset with chemicals and their toxicity effects in Accelrys Toxicity database and non-toxic chemicals with their performance evaluated by jackknife test, an optimal integrated classifier was selected as the proposed classifier, which provided quite high prediction accuracies and wide applications. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Prebiotic Potential and Chemical Composition of Seven Culinary Spice Extracts

OpenAIRE

Lu, Qing‐Yi; Summanen, Paula H.; Lee, Ru‐Po; Huang, Jianjun; Henning, Susanne M.; Heber, David; Finegold, Sydney M.; Li, Zhaoping

2017-01-01

Abstract The objective of this study was to investigate prebiotic potential, chemical composition, and antioxidant capacity of spice extracts. Seven culinary spices including black pepper, cayenne pepper, cinnamon, ginger, Mediterranean oregano, rosemary, and turmeric were extracted with boiling water. Major chemical constituents were characterized by RP‐HPLC‐DAD method and antioxidant capacity was determined by measuring colorimetrically the extent to scavenge ABTS radical cations. Effects o...

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...

Validation of archived chemical shifts through atomic coordinates

Science.gov (United States)

Rieping, Wolfgang; Vranken, Wim F

2010-01-01

The public archives containing protein information in the form of NMR chemical shift data at the BioMagResBank (BMRB) and of 3D structure coordinates at the Protein Data Bank are continuously expanding. The quality of the data contained in these archives, however, varies. The main issue for chemical shift values is that they are determined relative to a reference frequency. When this reference frequency is set incorrectly, all related chemical shift values are systematically offset. Such wrongly referenced chemical shift values, as well as other problems such as chemical shift values that are assigned to the wrong atom, are not easily distinguished from correct values and effectively reduce the usefulness of the archive. We describe a new method to correct and validate protein chemical shift values in relation to their 3D structure coordinates. This method classifies atoms using two parameters: the per-atom solvent accessible surface area (as calculated from the coordinates) and the secondary structure of the parent amino acid. Through the use of Gaussian statistics based on a large database of 3220 BMRB entries, we obtain per-entry chemical shift corrections as well as Z scores for the individual chemical shift values. In addition, information on the error of the correction value itself is available, and the method can retain only dependable correction values. We provide an online resource with chemical shift, atom exposure, and secondary structure information for all relevant BMRB entries (http://www.ebi.ac.uk/pdbe/nmr/vasco) and hope this data will aid the development of new chemical shift-based methods in NMR. Proteins 2010. © 2010 Wiley-Liss, Inc. PMID:20602353

Designing SQCRA as a Software to Semi-quantitative Chemical Risk Assessment in Workplace

Directory of Open Access Journals (Sweden)

Ali Karimi

2014-06-01

Full Text Available Background & Objectives : The aim of chemical risk assessment is to identify and evaluate risks originated from chemicals usages. This study aims to design a practical tool for facilitating chemical risk assessment. Methods: The proposed software was derived from chemical risk assessment method which was recommended by Ministry of Human Resources of Malaysia. All of the processes in question are designed in operating system software. Based on some revisions, this software was developed using Visual Basic (VB titled as SQCRA. The developed software was used for chemical risk assessment in Narges Vegetale Oil Company in Shiraz (center of Iran. Result: The output of software showed that the level of risk derived from sulfuric acid, phosphoric acid, aluminum sulphate, nickel catalyst, acetic acid used as a raw material were 2.4, 2.84, 2.3, 3.5 and 2.66, respectively. Moreover, risk rank and proposed control methods for each of these materials were determined. Conclusions : The developed software calculates the health risk level based on the degree of hazard and exposure in shorttime and without using risk matrix and chemical formula. After determining the risk rank, the software proposes the control procedures to reduce occupational exposure.

Chemical profiling of chemical warfare agents for forensic purposes

NARCIS (Netherlands)

Noort, D.; Reuver, L.P.J. de; Fidder, A.; Tromp, M.; Verschraagen, M.

2010-01-01

A program has been initiated towards the chemical profiling of chemical warfare agents, in order to support forensic investigations towards synthesis routes, production sites and suspect chemical suppliers. Within the first stage of the project various chemical warfare agents (VX, sulfur mustard,

Fluctuation induced critical behavior at nonzero temperature and chemical potential

International Nuclear Information System (INIS)

Splittorff, K.; Lenaghan, J.T.; Wirstam, J.

2003-01-01

We discuss phase transitions in relativistic systems as a function of both the chemical potential and temperature. The presence of a chemical potential explicitly breaks Lorentz invariance and may additionally break other internal symmetries. This introduces new subtleties in the determination of the critical properties. We discuss separately three characteristic effects of a nonzero chemical potential. First, we consider only the explicit breaking of Lorentz invariance using a scalar field theory with a global U(1) symmetry. Second, we study the explicit breaking of an internal symmetry in addition to Lorentz invariance using two-color QCD at nonzero baryonic chemical potential. Finally, we consider the spontaneous breaking of a symmetry using three-color QCD at nonzero baryonic and isospin chemical potential. For each case, we derive the appropriate three-dimensional effective theory at criticality and study the effect of the chemical potential on the fixed point structure of the β functions. We find that the order of the phase transition is not affected by the explicit breaking of Lorentz invariance but is sensitive to the breaking of additional symmetries by the chemical potential

Nonspherical atomic ground-state densities and chemical deformation densities from x-ray scattering

International Nuclear Information System (INIS)

Ruedenberg, K.; Schwarz, W.H.E.

1990-01-01

Presuming that chemical insight can be gained from the difference between the molecular electron density and the superposition of the ground-state densities of the atoms in a molecule, it is pointed out that, for atoms with degenerate ground states, an unpromoted ''atom in a molecule'' is represented by a specific ensemble of the degenerate atomic ground-state wave functions and that this ensemble is determined by the anisotropic local surroundings. The resulting atomic density contributions are termed oriented ground state densities, and the corresponding density difference is called the chemical deformation density. The constraints implied by this conceptual approach for the atomic density contributions are formulated and a method is developed for determining them from x-ray scattering data. The electron density of the appropriate promolecule and its x-ray scattering are derived, the determination of the parameters of the promolecule is outlined, and the chemical deformation density is formulated

Determination of vanadium(V) by direct automatic potentiometric titration with EDTA using a chemically modified electrode as a potentiometric sensor.

Science.gov (United States)

Quintar, S E; Santagata, J P; Cortinez, V A

2005-10-15

A chemically modified electrode (CME) was prepared and studied as a potentiometric sensor for the end-point detection in the automatic titration of vanadium(V) with EDTA. The CME was constructed with a paste prepared by mixing spectral-grade graphite powder, Nujol oil and N-2-naphthoyl-N-p-tolylhydroxamic acid (NTHA). Buffer systems, pH effects and the concentration range were studied. Interference ions were separated by applying a liquid-liquid extraction procedure. The CME did not require any special conditioning before using. The electrode was constructed with very inexpensive materials and was easily made. It could be continuously used, at least two months without removing the paste. Automatic potentiometric titration curves were obtained for V(V) within 5 x 10(-5) to 2 x 10(-3)M with acceptable accuracy and precision. The developed method was applied to V(V) determination in alloys for hip prosthesis.

3.4. Chemical additives and granulometric composition influence on soils armed by cement

International Nuclear Information System (INIS)

Saidov, D.Kh.

2011-01-01

Purpose of this work was to evaluate an influence of various chemical additives on soils armed by portland cement. Experimental research of kinetics of soil cements structure formation after adding the chemicals was carried out. According to the investigations it was determined that structure formation process of soil cements depended on granulometric composition of armed soil, cement quantity, type and quantity of chemical additives.

Identification of helix capping and {beta}-turn motifs from NMR chemical shifts

Energy Technology Data Exchange (ETDEWEB)

Shen Yang; Bax, Ad, E-mail: bax@nih.gov [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

2012-03-15

We present an empirical method for identification of distinct structural motifs in proteins on the basis of experimentally determined backbone and {sup 13}C{sup {beta}} chemical shifts. Elements identified include the N-terminal and C-terminal helix capping motifs and five types of {beta}-turns: I, II, I Prime , II Prime and VIII. Using a database of proteins of known structure, the NMR chemical shifts, together with the PDB-extracted amino acid preference of the helix capping and {beta}-turn motifs are used as input data for training an artificial neural network algorithm, which outputs the statistical probability of finding each motif at any given position in the protein. The trained neural networks, contained in the MICS (motif identification from chemical shifts) program, also provide a confidence level for each of their predictions, and values ranging from ca 0.7-0.9 for the Matthews correlation coefficient of its predictions far exceed those attainable by sequence analysis. MICS is anticipated to be useful both in the conventional NMR structure determination process and for enhancing on-going efforts to determine protein structures solely on the basis of chemical shift information, where it can aid in identifying protein database fragments suitable for use in building such structures.

Identification of helix capping and β-turn motifs from NMR chemical shifts

International Nuclear Information System (INIS)

Shen Yang; Bax, Ad

2012-01-01

We present an empirical method for identification of distinct structural motifs in proteins on the basis of experimentally determined backbone and 13 C β chemical shifts. Elements identified include the N-terminal and C-terminal helix capping motifs and five types of β-turns: I, II, I′, II′ and VIII. Using a database of proteins of known structure, the NMR chemical shifts, together with the PDB-extracted amino acid preference of the helix capping and β-turn motifs are used as input data for training an artificial neural network algorithm, which outputs the statistical probability of finding each motif at any given position in the protein. The trained neural networks, contained in the MICS (motif identification from chemical shifts) program, also provide a confidence level for each of their predictions, and values ranging from ca 0.7–0.9 for the Matthews correlation coefficient of its predictions far exceed those attainable by sequence analysis. MICS is anticipated to be useful both in the conventional NMR structure determination process and for enhancing on-going efforts to determine protein structures solely on the basis of chemical shift information, where it can aid in identifying protein database fragments suitable for use in building such structures.

Chemical constituents and antimicrobial activity of Goniothalamus ...

African Journals Online (AJOL)

The essential oils from the twig and root of Goniothalamus macrophyllus were obtained by hydrodistillation and subjected to Gas Chromatography (GC-FID) and Gas Chromatography/Mass Spectrometry (GC-MS) using CBP-5 capillary column in order to determine their chemical composition. Both twig and root oils and four ...

Towards a Life Cycle Based Chemical Alternative Assessment (LCAA)

DEFF Research Database (Denmark)

Jolliet, O.; Huang, L.; Overcash, Michael

2017-01-01

approach combines the following elements: a) The manufacturing phase chemical inventory is based on the environmental genome of industrial products database, ensuring mass and energy balance, b) near-field exposure to consumer products during the use phase is determined based on the mass of chemical......There is a need for an operational quantitative screening-level assessment of alternatives, that is life-cycle based and able to serve both Life cycle Assessment (LCA and chemical alternatives assessment (CAA). This presentation therefore aims to develop and illustrate a new approach called “Life...... Cycle Based Chemical Alternative Assessment (LCAA)” that will quantify exposure and life cycle impacts consistently and efficiently over the main life cycle stages. The new LCAA approach is illustrated though a proof-of-concept case study of alternative plasticizers in vinyl flooring. The proposed LCAA...

[Chemical components from essential oil of Pandanus amaryllifolius leaves].

Science.gov (United States)

Chen, Xiao-Kai; Ge, Fa-Huan

2014-04-01

To analyze the chemical compositions of Pandanus amaryllifolius leaves essential oil extracted by steam distillation. The essential oil of Pandanus amaryllifolius leaves was analyzed by gas chromatography-mass spectrum, and the relative content of each component was determined by area normalization method. 128 peaks were separated and 95 compounds were identified, which weighed 97.75%. The main chemical components of the essential oil were phytol (42.15%), squalene (16.81%), what's more pentadecanal (6.17%), pentadecanoic acid (4.49%), 3, 7, 11, 15-tetramethyl-2-hexadecen-1-ol (3.83%), phytone (2.05%) and the other 74 chemical compositions were firstly identified from the essential oil of Pandanus amaryllifolius leaves. The chemical compositions of Pandanu samaryllifolius leaves essential oil was systematically, deeply isolated and identified for the first time. This experiment has provided scientific foundation for further utilization of Pandanus amaryllifolius leaves.

Identification of Chemical Toxicity Using Ontology Information of Chemicals

Directory of Open Access Journals (Sweden)

Zhanpeng Jiang

2015-01-01

Full Text Available With the advance of the combinatorial chemistry, a large number of synthetic compounds have surged. However, we have limited knowledge about them. On the other hand, the speed of designing new drugs is very slow. One of the key causes is the unacceptable toxicities of chemicals. If one can correctly identify the toxicity of chemicals, the unsuitable chemicals can be discarded in early stage, thereby accelerating the study of new drugs and reducing the R&D costs. In this study, a new prediction method was built for identification of chemical toxicities, which was based on ontology information of chemicals. By comparing to a previous method, our method is quite effective. We hope that the proposed method may give new insights to study chemical toxicity and other attributes of chemicals.

Chemical Continuous Time Random Walks

Science.gov (United States)

Aquino, T.; Dentz, M.

2017-12-01

Traditional methods for modeling solute transport through heterogeneous media employ Eulerian schemes to solve for solute concentration. More recently, Lagrangian methods have removed the need for spatial discretization through the use of Monte Carlo implementations of Langevin equations for solute particle motions. While there have been recent advances in modeling chemically reactive transport with recourse to Lagrangian methods, these remain less developed than their Eulerian counterparts, and many open problems such as efficient convergence and reconstruction of the concentration field remain. We explore a different avenue and consider the question: In heterogeneous chemically reactive systems, is it possible to describe the evolution of macroscopic reactant concentrations without explicitly resolving the spatial transport? Traditional Kinetic Monte Carlo methods, such as the Gillespie algorithm, model chemical reactions as random walks in particle number space, without the introduction of spatial coordinates. The inter-reaction times are exponentially distributed under the assumption that the system is well mixed. In real systems, transport limitations lead to incomplete mixing and decreased reaction efficiency. We introduce an arbitrary inter-reaction time distribution, which may account for the impact of incomplete mixing. This process defines an inhomogeneous continuous time random walk in particle number space, from which we derive a generalized chemical Master equation and formulate a generalized Gillespie algorithm. We then determine the modified chemical rate laws for different inter-reaction time distributions. We trace Michaelis-Menten-type kinetics back to finite-mean delay times, and predict time-nonlocal macroscopic reaction kinetics as a consequence of broadly distributed delays. Non-Markovian kinetics exhibit weak ergodicity breaking and show key features of reactions under local non-equilibrium.

Determination of (BTEX) of the gasoline's combustion in Ecuador

International Nuclear Information System (INIS)

Garcia, Nelson; Insuasti, Alicia

1998-01-01

The contents of benzene, toluene, ethyl benzene and xylenes (BTEX) were determined and quantified in the gasoline's combustion on an internal combustion engine. Gas chromatography with flame ionization detector were used for chemical determinations

Chemical Kinetics, Heat Transfer, and Sensor Dynamics Revisited in a Simple Experiment

Science.gov (United States)

Sad, Maria E.; Sad, Mario R.; Castro, Alberto A.; Garetto, Teresita F.

2008-01-01

A simple experiment about thermal effects in chemical reactors is described, which can be used to illustrate chemical reactor models, the determination and validation of their parameters, and some simple principles of heat transfer and sensor dynamics. It is based in the exothermic reaction between aqueous solutions of sodium thiosulfate and…

Comparison of wet-chemical methods for determination of lipid hydroperoxides

DEFF Research Database (Denmark)

Nielsen, Nina Skall; Timm Heinrich, Maike; Jacobsen, Charlotte

2003-01-01

Five methods for determination of lipid hydroperoxides were evaluated, including two iodometric procedures involving a titration and a spectrophotometric micro method, and three other spectrophotometric methods namely the ferro, International Dairy Federation (IDF) and FOX2 (ferrous oxidation...... in xylenol orange). Peroxide values determined in a range of food products by these five methods gave different results. The ferro method required large amounts of solvent (50 mL/sample); the FOX2 method had a low range (0.005-0.04 mumol hydroperoxide); the end point detection of the titration method...... was subjective and required a large amount of sample (1 g); and the micro method was sensitive to interruptions during execution. Therefore, only the modified IDF method was chosen for further testing and validation. Stability tests of the standard curve showed a variation coefficient of 4% and within runs...

Evidence from pharmacology and pathophysiology suggests that chemicals with dissimilar mechanisms of action could be of bigger concern in the toxicological risk assessment of chemical mixtures than chemicals with a similar mechanism of action.

Science.gov (United States)

Hadrup, Niels

2014-08-01

Mathematical models have been developed for the toxicological risk assessment of chemical mixtures. However, exposure data as well as single chemical toxicological data are required for these models. When addressing this data need, it could be attractive to focus on chemicals with similar mechanisms of action, similar modes of action or with common target organs. In the European Union, efforts are currently being made to subgroup chemicals according to this need. However, it remains to be determined whether this is the best strategy to obtain data for risk assessment. In conditions such as cancer or HIV, it is generally recognised that pharmacological combination therapy targeting different mechanisms of action is more effective than a strategy where only one mechanism is targeted. Moreover, in diseases such as acute myocardial infarction and congestive heart failure, several organ systems concomitantly contribute to the pathophysiology, suggesting that a grouping based on common target organs may also be inefficient. A better option may be to prioritise chemicals on the basis of potency and risk of exposure. In conclusion, there are arguments to suggest that we should concomitantly consider all targets that a chemical can affect in the human body and not merely a subset. Copyright © 2014 Elsevier Inc. All rights reserved.

From Chemical Forces to Chemical Rates: A Historical/Philosophical Foundation for the Teaching of Chemical Equilibrium

Science.gov (United States)

Quilez, Juan

2009-01-01

With this paper, our main aim is to contribute to the realisation of the chemical reactivity concept, tracing the historical evolution of the concept of chemical affinity that eventually supported the concept of chemical equilibrium. We will concentrate on searching for the theoretical grounds of three key chemical equilibrium ideas: "incomplete…

Test plan for Digface Chemical and Radiation Assay System

International Nuclear Information System (INIS)

Akers, D.W.

1993-07-01

The Digface Chemical and Radiation Assay System (CRAS) Project will develop a sensor using Prompt Gamma Neutron Activation Analysis (PGNAA) that can detect the present of hazardous chemicals and radioactive materials. The CRAS is being designed for in situ assay of closed drums and contaminated soils for gamma-ray emitting radionuclides and hazardous elements. The CRAS is based upon the use of 252 Cf PGNAA with a germanium gamma-ray spectrometer as the analyzer. Tasks being performed include determining detection limits for a number of hazardous chemicals and assessing matrix and transmission effects through soil. Initial analyses suggest that the technique is applicable to a number of hazardous materials such as trichloroethane and carbon tetrachloride

Preliminary study of chemical compositional data from Amazon ceramics

International Nuclear Information System (INIS)

Toyota, Rosimeiri G.; Munita, Casimiro S.; Luz, Fabio A.; Neves, Eduardo G.; Oliveira, Paulo M.S.

2005-01-01

Eighty seven ceramic samples from Acutuba, Lago Grande and Osvaldo archaeological sites located in the confluence of the rivers Negro and Solimoes were submitted to chemical analysis using instrumental neutron activation analysis to determine As, Ba, Ce, Co, Cr, Cs, Eu, Fe, Hf, K, La, Lu, Rb, Na, Nd, Sb, Sc, Sm, Ta, Tb, Th, Yb, Zn, and U. The database were studied using the Mahalanobis distance, and discriminant analysis. The results showed that the ceramics of each site differ from each other in chemical composition and that they form three different groups. Chemical classification of the ceramics suggests that vessels were made locally, as only ceramics from the same area show homogeneity of data. (author)

The methods of cesium-137 determination in sea water

International Nuclear Information System (INIS)

Gedeonov, L.I.; Krylov, V.N.; Stepanov, A.V.

1978-01-01

New express procedures of Cs-137 determination in sea water using selective sorbents are described. One of them is based on the use of natural radioactive potassium-40 as internal standard. Another one allows to perform Cs-137 determination without use of any standards, by pumping a certain amount of water through several successive identical cells filled with sorbent. The positive feature of the procedures consists in that it is no longer necessary chemical treatment of samples in Cs-133 determination in the sorbent and sea water. The danger of polution of samples by alkali metals which can be introduced with reactive agents in the process of chemical treatment is reduced to minimum

Determination of iodine at ppt level in a nitric acid medium by inductively coupled plasma sector field mass spectrometry: influence of the chemical forms

International Nuclear Information System (INIS)

Langlois, B.

2001-01-01

Inductively Coupled Plasma Sector Field Mass Spectrometry (ICP/SFMS) was used to determine several chemical forms of iodine, at ppt level, in a nitric acid media. Ascorbic acid was added as a reducing agent in order to maintain iodine as iodide. In a preliminary approach, the influence of the chemical form was studied by comparing inorganic iodine (NaI) and organic iodine (CH3I). Different signal responses were observed. With a conventional sample introduction system, sensitivities obtained for iodo-methane could differ by a factor of 5. This was not caused by a problem of atomization or by a change in the ionization efficiency of the iodo-compound into the plasma. The low volatilization temperature of iodo-methane (315.5 K) seemed to be the main explanation of this phenomena. Actually, nebulization resulted in the volatilization of a 2% nitric acid solution containing iodo-methane. As a result, the transport efficiency of iodo-methane between the nebulizer and the torch was approaching 100%. A Direct Injection High Efficiency Nebulizer (DIHEN) allowed us to minimize the behavior difference between the two iodine species, but the sensitivity ratio was inverted and still differed by 20 - 40%. Moreover, the association of a guard electrode and the direct injection system was studied in order to apply these equipments to the determination of iodine. This association allowed us to improve the sensitivity by a factor of 10 and to minimize memory effects, when compared with a conventional system. Further studies indicated that signal responses obtained with different iodine-containing species, except for iodo-methane, were found to be similar. (author)

Chemical Hazards and Safety Issues in Fusion Safety Design

International Nuclear Information System (INIS)

Cadwallader, L.C.

2003-01-01

Radiological inventory releases have dominated accident consequences for fusion; these consequences are important to analyze and are generally the most severe result of a fusion facility accident event. However, the advent of, or plan for, large-scale usage of some toxic materials poses the additional hazard of chemical exposure from an accident event. Examples of toxic chemicals are beryllium for magnetic fusion and fluorine for laser fusion. Therefore, chemical exposure consequences must also be addressed in fusion safety assessment. This paper provides guidance for fusion safety analysis. US Department of Energy (DOE) chemical safety assessment practices for workers and the public are reviewed. The US Environmental Protection Agency (EPA) has published some guidance on public exposure to releases of mixtures of chemicals, this guidance has been used to create an initial guideline for treating mixed radiological and toxicological releases in fusion; for example, tritiated hazardous dust from a tokamak vacuum vessel. There is no convenient means to judge the hazard severity of exposure to mixed materials. The chemical fate of mixed material constituents must be reviewed to determine if there is a separate or combined radiological and toxicological carcinogenesis, or if other health threats exist with radiological carcinogenesis. Recommendations are made for fusion facility chemical safety evaluation and safety guidance for protecting the public from chemical releases, since such levels are not specifically identified in the DOE fusion safety standard

Odour as a determinant of persistent symptoms after a chemical explosion, a longitudinal study

OpenAIRE

Tjalvin, Gro; Magerøy, Nils; Bråtveit, Magne; Lygre, Stein Håkon Låstad; Hollund, Bjørg Eli; Moen, Bente Elisabeth

2017-01-01

Foul-smelling environmental pollution was a major concern following a chemical workplace explosion. Malodorous pollution has previously been associated with aggravated physical and psychological health, and in persons affected by a trauma, an incidence-related odour can act as a traumatic reminder. Olfaction may even be of significance in the development and persistence of post-traumatic stress symptoms (PTSS). The present longitudinal study assessed whether perceived smell related to malodor...

Determining High-Quality Critical Body Residues for Multiple Species and Chemicals by Applying Improved Experimental Design and Data Interpretation Concepts

DEFF Research Database (Denmark)

van der Heijden, Stephan A.; Hermens, Joop L. M.; Sinnige, Theo L.

2015-01-01

Ecotoxicological effect data are generally expressed as effective concentrations in the external exposure medium and do thus not account for differences in chemical uptake, bioavailability, and metabolism, which can introduce substantial data variation. The Critical Body Residue (CBR) concept......, and by a factor of 2.6 between the three species but for individual chemicals. Accounting for the chemicals internal distribution to different partitioning domains and relating effects to estimated concentrations in the target compartment (i.e., membrane lipids) was expected to but did not decrease the overall...

Determination of copper binding in Pseudomonas putida CZ1 by chemical modifications and X-ray absorption spectroscopy.

Science.gov (United States)

Chen, XinCai; Shi, JiYan; Chen, YingXu; Xu, XiangHua; Chen, LiTao; Wang, Hui; Hu, TianDou

2007-03-01

Previously performed studies have shown that Pseudomonas putida CZ1 biomass can bind an appreciable amount of Cu(II) and Zn(II) ions from aqueous solutions. The mechanisms of Cu- and Zn-binding by P. putida CZ1 were ascertained by chemical modifications of the biomass followed by Fourier transform infrared and X-ray absorption spectroscopic analyses of the living or nonliving cells. A dramatic decrease in Cu(II)- and Zn(II)-binding resulted after acidic methanol esterification of the nonliving cells, indicating that carboxyl functional groups play an important role in the binding of metal to the biomaterial. X-ray absorption spectroscopy was used to determine the speciation of Cu ions bound by living and nonliving cells, as well as to elucidate which functional groups were involved in binding of the Cu ions. The X-ray absorption near-edge structure spectra analysis showed that the majority of the Cu was bound in both samples as Cu(II). The fitting results of Cu K-edge extended X-ray absorption fine structure spectra showed that N/O ligands dominated in living and nonliving cells. Therefore, by combining different techniques, our results indicate that carboxyl functional groups are the major ligands responsible for the metal binding in P. putida CZ1.

Household Chemical Emergencies

Science.gov (United States)

... Content Home Be Informed Household Chemical Emergencies Household Chemical Emergencies Although the risk of a chemical accident ... reduce the risk of injury. Before a Household Chemical Emergency It is critical to store household chemicals ...

Chemical Tool Peer Review Summary.

Energy Technology Data Exchange (ETDEWEB)

Cashion, Avery Ted [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Cieslewski, Grzegorz [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-10-01

Chemical tracers are commonly used to characterize fracture networks and to determine the connectivity between the injection and production wells. Currently, most tracer experiments involve injecting the tracer at the injection well, manually collecting liquid samples at the wellhead of the production well, and sending the samples off for laboratory analysis. While this method provides accurate tracer concentration data, it does not provide information regarding the location of the fractures conducting the tracer between wellbores. The goal of this project is to develop chemical sensors and design a prototype tool to help understand the fracture properties of a geothermal reservoir by monitoring tracer concentrations along the depth of the well. The sensors will be able to detect certain species of the ionic tracers (mainly iodide) and pH in-situ during the tracer experiment. The proposed high-temperature (HT) tool will house the chemical sensors as well as a standard logging sensor package of pressure, temperature, and flow sensors in order to provide additional information on the state of the geothermal reservoir. The sensors and the tool will be able to survive extended deployments at temperatures up to 225 °C and high pressures to provide real-time temporal and spatial feedback of tracer concentration. Data collected from this tool will allow for the real-time identification of the fractures conducting chemical tracers between wellbores along with the pH of the reservoir fluid at various depths.

Plakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanical calculations of 13C chemical shifts

Directory of Open Access Journals (Sweden)

Simone Di Micco

2013-12-01

Full Text Available In this paper the stereostructural investigation of two new oxygenated polyketides, plakilactones G and H, isolated from the marine sponge Plakinastrella mamillaris collected at Fiji Islands, is reported. The stereostructural studies began on plakilactone H by applying an integrated approach of the NOE-based protocol and quantum mechanical calculations of 13C chemical shifts. In particular, plakilactone H was used as a template to extend the application of NMR-derived interproton distances to a highly flexible molecular system with simultaneous assignment of four non-contiguous stereocenters. Chemical derivatization and quantum mechanical calculations of 13C on plakilactone G along with a plausible biogenetic interconversion between plakilactone G and plakilactone H allowed us to determine the absolute configuration in this two new oxygenated polyketides.

Effects of Protein-pheromone Complexation on Correlated Chemical Shift Modulations

Energy Technology Data Exchange (ETDEWEB)

Perazzolo, Chiara; Wist, Julien [Ecole Polytechnique Federale de Lausanne, Institut des Sciences et Ingenierie Chimiques (Switzerland); Loth, Karine; Poggi, Luisa [Ecole Normale Superieure, Departement de chimie, associe au CNRS (France); Homans, Steve [University of Leeds, School of Biochemistry and Microbiology (United Kingdom); Bodenhausen, Geoffrey [Ecole Polytechnique Federale de Lausanne, Institut des Sciences et Ingenierie Chimiques (Switzerland)], E-mail: Geoffrey.Bodenhausen@ens.fr

2005-12-15

Major urinary protein (MUP) is a pheromone-carrying protein of the lipocalin family. Previous studies by isothermal titration calorimetry (ITC) show that the affinity of MUP for the pheromone 2-methoxy-3-isobutylpyrazine (IBMP) is mainly driven by enthalpy, with a small unfavourable entropic contribution. Entropic terms can be attributed in part to changes in internal motions of the protein upon binding. Slow internal motions can lead to correlated or anti-correlated modulations of the isotropic chemical shifts of carbonyl C' and amide N nuclei. Correlated chemical shift modulations (CSM/CSM) in MUP have been determined by measuring differences of the transverse relaxation rates of zero- and double-quantum coherences ZQC{l_brace}C'N{r_brace} and DQC{l_brace}C'N{r_brace}, and by accounting for the effects of correlated fluctuations of dipole-dipole couplings (DD/DD) and chemical shift anisotropies (CSA/CSA). The latter can be predicted from tensor parameters of C' and N nuclei that have been determined in earlier work. The effects of complexation on slow time-scale protein dynamics can be determined by comparing the temperature dependence of the relaxation rates of APO-MUP (i.e., without ligand) and HOLO-MUP (i.e., with IBMP as a ligand)

Chemical fingerprint technique and its application in the ...

African Journals Online (AJOL)

The Gastrodia tuber and its active component, gastrodin, have many pharmacological effects. In this study, optimized high performance liquid chromatography (HPLC) parameters were employed to determine the chemical fingerprints and gastrodin content of nine Gastrodia tuber populations. Based on the degree of ...

Short Communication: Studies of antimicrobial activity and chemical ...

African Journals Online (AJOL)

Chemical constituents of the extract were also determined. The extract of was active against the test organisms including Escherischia coli, Pseudomonas aeruginosa and Candida albicans. Tannins, flavonoids, alkaloids, saponins, anthrax-quinones, starch, general glycosides and bitter principles were found to be present ...

Chemical equilibrium of ablation materials including condensed species

Science.gov (United States)

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

1975-01-01

Equilibrium is determined by finding chemical composition with minimum free energy. Method of steepest descent is applied to quadratic representation of free-energy surface. Solution is initiated by selecting arbitrary set of mole fractions, from which point on free-energy surface is computed.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

The spectrometric analysis of a mixture of two chemically and spectroscopically similar compounds is illustrated for the simultaneous spectrometric determination of caffeine and theobromine, the primary stimulants in coffee and tea, based on their ultraviolet absorbances. Their analysis indicates that such measurements ...

Secondary cleanup of Idaho Chemical Processing Plant solvent

International Nuclear Information System (INIS)

Mailen, J.C.

1985-01-01

Solvent from the Idaho Chemical Processing Plant (ICPP) (operated by Westinghouse Idaho Nuclear Company, Inc.) has been tested to determine the ability of activated alumina to remove secondary degradation products - those degradation products which are not removed by scrubbing with sodium carbonate

Characterization of the conformational equilibrium between the two major substates of RNase A using NMR chemical shifts.

Science.gov (United States)

Camilloni, Carlo; Robustelli, Paul; De Simone, Alfonso; Cavalli, Andrea; Vendruscolo, Michele

2012-03-07

Following the recognition that NMR chemical shifts can be used for protein structure determination, rapid advances have recently been made in methods for extending this strategy for proteins and protein complexes of increasing size and complexity. A remaining major challenge is to develop approaches to exploit the information contained in the chemical shifts about conformational fluctuations in native states of proteins. In this work we show that it is possible to determine an ensemble of conformations representing the free energy surface of RNase A using chemical shifts as replica-averaged restraints in molecular dynamics simulations. Analysis of this surface indicates that chemical shifts can be used to characterize the conformational equilibrium between the two major substates of this protein. © 2012 American Chemical Society

Species and life-history affects the utility of otolith chemical composition to determine natal stream-of-origin in Pacific salmon

Science.gov (United States)

Zimmerman, Christian E.; Swanson, Heidi K.; Volk, Eric C.; Kent, Adam J.R.

2013-01-01

To test the utility of otolith chemical composition as a tool for determining the natal stream of origin for salmon, we examined water chemistry and otoliths of juvenile and adult Chum Salmon Oncorhynchus keta and Coho Salmon O. kisutch from three watersheds (five rivers) in the Norton Sound region of Alaska. The two species are characterized by different life histories: Coho Salmon rear in freshwater for up to 3 years, whereas Chum Salmon emigrate from freshwater shortly after emergence. We used laser ablation (LA) inductively coupled plasma (ICP) mass spectrometry (MS) to quantify element: Ca ratios for Mg, Mn, Zn, Sr, and Ba, and we used multicollector LA-ICP-MS to determine 87Sr:86Sr ratios in otolith regions corresponding to the period of freshwater residence. Significant differences existed in both water and otolith elemental composition, suggesting that otolith composition could be used to discriminate the natal origin of Coho Salmon and Chum Salmon but only when 87Sr:86Sr ratios were included in the discriminant function analyses. The best discriminant model included 87Sr:86Sr ratios, and without 87Sr:86Sr ratios it was difficult to discriminate among watersheds and rivers. Classification accuracy was 80% for Coho Salmon and 68% for Chum Salmon, indicating that this method does not provide sufficient sensitivity to estimate straying rates of Pacific salmon at the scale we studied.

Trace impurities in coal by wet chemical methods

International Nuclear Information System (INIS)

Pollock, E.N.

1975-01-01

In determining trace elements in coal by wet chemical methods, conventional atomic absorption spectroscopy (AAS) was used to determine Li, Be, V, Cr, Mn, Co, Ni, Cu, Zn, Ag, Cd, and Pb after dry ashing and acid dissolutions. A graphite furnace accessory was used for the flameless AAS determination of Bi, Se, Sn, Te, Be, Pb, As, Cd, Cr, Sb, and Ge. Mercury can be determined by flameless AAS after oxygen bomb combustion. Arsenic and antimony can be determined as their hydrides by AAS after low temperature ashing. Germanium, tin, bismuth, and tellurium can be determined as their hydrides by AAS after high temperature ashing. Selenium can be determined as its hydride by AAS after a special combustion procedure or after oxygen bomb combustion. Fluorine can be determined by specific ion analysis after oxygen bomb combustion. Boron can be determined colorimetrically. (U.S.)

Chemical effects in the near-field

International Nuclear Information System (INIS)

Ewart, F.T.; Tasker, P.W.

1987-01-01

A research program is described which is designed to investigate the chemical conditions in the near-field of a concrete based repository and the behavior of the radiologically important nuclides under these conditions. The chemical conditions are determined by the corrosion of the iron components of the repository and by the soluble components of the concrete. Both of these have been investigated experimentally and models developed which have been validated by further experiment. The effect of these reactions on the repository pH and Eh, and how these develop in time and space have been modelled using a new coupled chemical equilibrium and transport code. The solubility of the important nuclides are being studied experimentally under these conditions, and under sensible variations. Results are reported for plutonium, americium, neptunium and lead; these results have been under to refine the thermodynamic data base used for the geochemical code PHREEQE. The sorption behavior of plutonium and americium, under the same conditions, have been studied, the sorption coefficients were found to be large and independent of the concrete formulation, particle size and solid liquid ratio

chemical safety and chemical security overview

African Journals Online (AJOL)

IICBA01

Wafaa M. Abdou. Chemical Industries Division, National Research Centre, ... substances to attain an acceptably low risk of exposure. Security is: ... Sharing locations of chemicals can publicize targets for theft .... D. Personal Protective Equipments (PPE): ... E. Lighting & Noise Levels ... PPE. ➢ Autoclave or sterilize wastes.

Determination of thephysico-chemical 131I species in the exhausts and stack effluent of a PWR power plant

International Nuclear Information System (INIS)

Deuber, H.; Wilhelm, J.G.

1979-01-01

To quantify the credit that can be granted in the assessment of the 131 I ingestion doses and the improvement that can be achieved in the ventilation systems if differences of the physico-chemical 131 I species with respect to the environmental impact are taken into account, the fractions of the 131 I species were determined in the stack effluent and in various exhausts of a 1300 MW/sub e/ PWR power plant during a period of 3 months. Based on these measurements, calculations for different cases of filtration of the main exhausts for iodine were carried out. The average fractions of elemental and organic 131 I were about 70 and 30% respectively in the stack effluent during the time indicated. Elem. 131 I orginated mainly from the hoods in which samples of the primary coolant are taken and processed. Org. 131 I was mainly contributed by the equipment compartments. If the hood exhaust had been filtered, as was the case with the equipment compartment exhaust, the fractions of elem. and org. 131 I would have been on the order of 50% each and the calculated 131 I ingestion doses would have been a factor of 3 lower

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

Physical and chemical characteristics of fibrous peat

Science.gov (United States)

Sutejo, Yulindasari; Saggaff, Anis; Rahayu, Wiwik; Hanafiah

2017-11-01

Banyuasin is one of the regency in South Sumatera which has an area of 200.000 Ha of peat land. Peat soil are characterized by high compressibility parameters and low initial shear strength. Block sampling method was used to obtain undisturbed sample. The results of this paper describe the characteristics of peat soil from physical and chemical testing. The physical and chemical characteristics of peat include water content (ω), specific gravity (Gs), Acidity (pH), unit weight (γ), and ignition loss tests. SEM and EDS test was done to determine the differences in fiber content and to analyze chemical elements of the specimen. The average results ω, Gs, and pH are 263.538 %, 1.847, and 3.353. Peat is classified in H4 (by Von Post). The results of organic content (OC), ash content (AC), and fiber content (FC) are found 78.693 %, 21.310 %, and 73.703 %. From the results of physical and chemical tests, the peat in Banyuasin is classified as fibrous peat. All the results of the characteristics and classification of fibrous peat compared with published data were close.

Study and application of ion chromatography and activation analysis without chemical separation for the determination of sodium and potassium in muscle tissues

International Nuclear Information System (INIS)

Haber, E.P.

1984-01-01

The simultaneous determination of Na and K in small amounts of muscular tissue by use of two methods, namely activation analysis and ion chromatography, is presented. For the activation analysis the samples were irradiated for 30 minutes in a 5 X 10 11 n cm sup(-) 2 s sup(-) 1 flux. The induced activities of 24 Na and 42 K were determined, without chemical separation, using a Ge(Li) detector equipped with a 4096 channel analyser on-line with a computer. The gamma ray spectra registered from the samples and standards were analysed and compared by the computer. For the ion chromatography analysis the samples and standards in solution were injected into the apparatus. The ions were separated by an ion-exchange system of columns and the concentrations were measured by conductivity. In addition, the two analytical methods were compared in regard to sensitivity, precision and accuracy as well as simplicity, cost and working time involved in the analysis. From the point of view of the reliability of the results, both techniques proved to be excelent and might be of great value in medical research. (Author) [pt

Chemical defense of early life stages of benthic marine invertebrates.

Science.gov (United States)

Lindquist, Niels

2002-10-01

Accurate knowledge of factors affecting the survival of early life stages of marine invertebrates is critically important for understanding their population dynamics and the evolution of their diverse reproductive and life-history characteristics. Chemical defense is an important determinant of survival for adult stages of many sessile benthic invertebrates, yet relatively little consideration has been given to chemical defenses at the early life stages. This review examines the taxonomic breadth of early life-stage chemical defense in relation to various life-history and reproductive characteristics, as well as possible constraints on the expression of chemical defense at certain life stages. Data on the localization of defensive secondary metabolites in larvae and the fitness-related consequences of consuming even a small amount of toxic secondary metabolites underpin proposals regarding the potential for Müllerian and Batesian mimicry to occur among marine larvae. The involvement of microbial symbionts in the chemical defense of early life stages illustrates its complexity for some species. As our knowledge of chemical defenses in early life stages grows, we will be able to more rigorously examine connections among phylogeny, chemical defenses, and the evolution of reproductive and life-history characteristics among marine invertebrates.

Runaway chemical reaction exposes community to highly toxic chemicals

International Nuclear Information System (INIS)

Kaszniak, Mark; Vorderbrueggen, John

2008-01-01

The U.S. Chemical Safety and Hazard Investigation Board (CSB) conducted a comprehensive investigation of a runaway chemical reaction at MFG Chemical (MFG) in Dalton, Georgia on April 12, 2004 that resulted in the uncontrolled release of a large quantity of highly toxic and flammable allyl alcohol and allyl chloride into the community. Five people were hospitalized and 154 people required decontamination and treatment for exposure to the chemicals. This included police officers attempting to evacuate the community and ambulance personnel who responded to 911 calls from residents exposed to the chemicals. This paper presents the findings of the CSB report (U.S. Chemical Safety and Hazard Investigation Board (CSB), Investigation Report: Toxic Chemical Vapor Cloud Release, Report No. 2004-09-I-GA, Washington DC, April 2006) including a discussion on tolling practices; scale-up of batch reaction processes; Process Safety Management (PSM) and Risk Management Plan (RMP) implementation; emergency planning by the company, county and the city; and emergency response and mitigation actions taken during the incident. The reactive chemical testing and atmospheric dispersion modeling conducted by CSB after the incident and recommendations adopted by the Board are also discussed

Physical chemical quality control of the molybdenum technetium generator

International Nuclear Information System (INIS)

Olive, E.; Cruz, J.; Isaac, M.; Gamboa, R.; D'Alessandro, K.; Desdin, L.F.

1995-01-01

Comparative operational procedure imported molybdenum technetium generators have been made. Procedures for determination of chemical, radiochemical and radionuclidic purities that may be applied in Hospital's laboratories and in the quality control of generators production are developed

Effects of thermo-chemical pre-treatment on anaerobic biodegradability and hydrolysis of lignocellulosic biomass

NARCIS (Netherlands)

Fernandes, T.; Klaasse Bos, G.J.; Zeeman, G.; Sanders, J.P.M.; Lier, van J.B.

2009-01-01

The effects of different thermo-chemical pre-treatment methods were determined on the biodegradability and hydrolysis rate of lignocellulosic biomass. Three plant species, hay, straw and bracken were thermo-chemically pre-treated with calcium hydroxide, ammonium carbonate and maleic acid. After

Sequence correction of random coil chemical shifts: correlation between neighbor correction factors and changes in the Ramachandran distribution

DEFF Research Database (Denmark)

Kjærgaard, Magnus; Poulsen, Flemming Martin

2011-01-01

Random coil chemical shifts are necessary for secondary chemical shift analysis, which is the main NMR method for identification of secondary structure in proteins. One of the largest challenges in the determination of random coil chemical shifts is accounting for the effect of neighboring residues....... The contributions from the neighboring residues are typically removed by using neighbor correction factors determined based on each residue's effect on glycine chemical shifts. Due to its unusual conformational freedom, glycine may be particularly unrepresentative for the remaining residue types. In this study, we...... in the conformational ensemble are an important source of neighbor effects in disordered proteins. Glutamine derived random coil chemical shifts and correction factors modestly improve our ability to predict (13)C chemical shifts of intrinsically disordered proteins compared to existing datasets, and may thus improve...

Temporal Variation of Chemical Persistence in a Swedish Lake Assessed by Benchmarking.

Science.gov (United States)

Zou, Hongyan; Radke, Michael; Kierkegaard, Amelie; McLachlan, Michael S

2015-08-18

Chemical benchmarking was used to investigate the temporal variation of the persistence of chemical contaminants in a Swedish lake. The chemicals studied included 12 pharmaceuticals, an artificial sweetener, and an X-ray contrast agent. Measurements were conducted in late spring, late autumn, and winter. The transformation half-life in the lake could be quantified for 7 of the chemicals. It ranged from several days to hundreds of days. For 5 of the chemicals (bezafibrate, climbazole, diclofenac, furosemide, and hydrochlorothiazide), the measured persistence was lower in late spring than in late autumn. This may have been caused by lower temperatures and/or less irradiation during late autumn. The seasonality in chemical persistence contributed to changes in chemical concentrations in the lake during the year. The impact of seasonality of persistence was compared with the impact of other important variables determining concentrations in the lake: chemical inputs and water flow/dilution. The strongest seasonal variability in chemical concentration in lake water was observed for hydrochlorothiazide (over a factor of 10), and this was attributable to the seasonality in its persistence.

Textual and chemical information processing: different domains but similar algorithms

Directory of Open Access Journals (Sweden)

Peter Willett

2000-01-01

Full Text Available This paper discusses the extent to which algorithms developed for the processing of textual databases are also applicable to the processing of chemical structure databases, and vice versa. Applications discussed include: an algorithm for distribution sorting that has been applied to the design of screening systems for rapid chemical substructure searching; the use of measures of inter-molecular structural similarity for the analysis of hypertext graphs; a genetic algorithm for calculating term weights for relevance feedback searching for determining whether a molecule is likely to exhibit biological activity; and the use of data fusion to combine the results of different chemical similarity searches.

Chemical Function Predictions for Tox21 Chemicals

Data.gov (United States)

U.S. Environmental Protection Agency — Random forest chemical function predictions for Tox21 chemicals in personal care products uses and "other" uses. This dataset is associated with the following...

Chemical composition determination of Bohunice 1 and 2 RPVs and hardness measurements of RPVs material

International Nuclear Information System (INIS)

Kupca, L.; Brezina, M.; Beno, P.; Kniz, I.

1994-01-01

The base informations of all activities concerning the material properties recovery performed before and after annealing procedure on the first two units V-230 type in NPP V-1, are the topic of this paper. The samples of weld and base metal from both RPVs NPP V-1 were prepared by special apparatus in the very narrow gap between the outside surface of the RPV and the reactor thermal shielding in the reactor cavity, from the critical circumferential weld joint no.4. The chemical composition of the samples was analyzed in Nuclear Power Plants Research Institute (VUJE) laboratories. Except these results achieved from the analysis of the irradiated samples are presented the evaluation results of the chemical composition influence on the RPVs materials brittle fracture temperatures. All these results which served as input data for the irradiation embrittlement recovery evaluation of the both RPV NPP V-1 in Jaslovske Bohunice, are presented in the form of the trend curves for both RPVs. (author). 10 refs, 7 figs, 1 tab

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.

Challenges to studying the health effects of early life environmental chemical exposures on children's health.

Science.gov (United States)

Braun, Joseph M; Gray, Kimberly

2017-12-01

Epidemiological studies play an important role in quantifying how early life environmental chemical exposures influence the risk of childhood diseases. These studies face at least four major challenges that can produce noise when trying to identify signals of associations between chemical exposure and childhood health. Challenges include accurately estimating chemical exposure, confounding from causes of both exposure and disease, identifying periods of heightened vulnerability to chemical exposures, and determining the effects of chemical mixtures. We provide recommendations that will aid in identifying these signals with more precision.

A New Pseudoinverse Matrix Method For Balancing Chemical Equations And Their Stability

International Nuclear Information System (INIS)

Risteski, Ice B.

2008-01-01

In this work is given a new pseudoniverse matrix method for balancing chemical equations. Here offered method is founded on virtue of the solution of a Diophantine matrix equation by using of a Moore-Penrose pseudoinverse matrix. The method has been tested on several typical chemical equations and found to be very successful for the all equations in our extensive balancing research. This method, which works successfully without any limitations, also has the capability to determine the feasibility of a new chemical reaction, and if it is feasible, then it will balance the equation. Chemical equations treated here possess atoms with fractional oxidation numbers. Also, in the present work are introduced necessary and sufficient criteria for stability of chemical equations over stability of their extended matrices

Quantum chemical studies on the some inorganic corrosion inhibitors

International Nuclear Information System (INIS)

Sayin, Koray; Karakaş, Duran

2013-01-01

Highlights: •Some quantum chemical parameters are important to determine inhibition efficiency. •Quantum chemical calculations were performed on six inorganic inhibitors. •Five experimental reports were used to explain the theoretical results. •Atomic charges and %contributions were used to determine the atom at protonation process. •For inorganic inhibitors, the best method and basis set were investigated. -- Abstract: Some quantum chemical parameters were calculated by using Hartree–Fock (HF) approximation, Density Functional Theory (DFT/B3LYP) and Møller Plesset perturbation theory (MP3) methods at LANL2DZ, LANL2MB and SDD levels in gas phase and water for dichromate (Cr 2 O 7 2- ), chromate (CrO 4 2- ), tungstate (WO 4 2- ), molybdate (MoO 4 2- ), nitrite (NO 2 - ) and nitrate (NO 3 - ) which are used as inorganic corrosion inhibitors. All theoretical results and experimental inhibition efficiencies of inhibitors were subjected to correlation analyses. In a summary, MP3/SDD level in water was found as the best level. In this level, the inhibition efficiency ranking was found as CrO 4 2- >WO 4 2- >MoO 4 2- >Cr 2 O 7 2- >NO 2 - ≈NO 3 -

A Chemical Activity Approach to Exposure and Risk Assessment of Chemicals

DEFF Research Database (Denmark)

Gobas, Frank A. P. C.; Mayer, Philipp; Parkerton, Thomas F.

2018-01-01

activity approach, its strengths and limitations, and provides examples of how this concept may be applied to the management of single chemicals and chemical mixtures. The examples demonstrate that the chemical activity approach provides a useful framework for 1) compiling and evaluating exposure......To support the goals articulated in the vision for exposure and risk assessment in the twenty-first century, we highlight the application of a thermodynamic chemical activity approach for the exposure and risk assessment of chemicals in the environment. The present article describes the chemical...... assessment. The article further illustrates that the chemical activity approach can support an adaptive management strategy for environmental stewardship of chemicals where “safe” chemical activities are established based on toxicological studies and presented as guidelines for environmental quality...

Oxalate Mass Balance During Chemical Cleaning in Tank 5F

Energy Technology Data Exchange (ETDEWEB)

Poirier, M.; Fink, S.

2011-07-08

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 to determine whether the tank is ready for closure. 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. Analysis of the anions showed the measured oxalate removed from Tank 5F to be approximately 50% of the amount added in the oxalic acid. To close the oxalate mass balance, the author collected solid samples, leached them with nitric acid, and measured the concentration of cations and anions in the leachate.

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.

Temperature dependence of 1H NMR chemical shifts and its influence on estimated metabolite concentrations.

Science.gov (United States)