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Sample records for 2-deoxy-2-chloro-d-glucose impurity analysis

  1. Cryogenic Laser Calorimetry for Impurity Analysis

    NASA Technical Reports Server (NTRS)

    Swimm, R. T.

    1985-01-01

    The results of a one-year effort to determine the applicability of laser-calorimetric spectroscopy to the study of deep-level impurities in silicon are presented. Critical considerations for impurity analysis by laser-calorimetric spectroscopy are discussed, the design and performance of a cryogenic laser calorimeter is described, and measurements of background absorption in high-purity silicon are presented.

  2. Gas chromatographic analysis of trace gas impurities in tungsten hexafluoride.

    PubMed

    Laurens, J B; de Coning, J P; Swinley, J M

    2001-03-09

    Highly reactive fluorinated gaseous matrices require special equipment and techniques for the gas chromatographic analysis of trace impurities in these gases. The impurities that were analysed at the low-microg/l levels included oxygen, nitrogen, carbon dioxide, carbon monoxide, sulfur hexafluoride and hydrogen. This paper describes the use of a system utilising backflush column switching to protect the columns and detectors in the analysis of trace gas impurities in tungsten hexafluoride. Two separate channels were used for the analysis of H2, O2, N2, CO, CO2 and SF6 impurities with pulsed discharge helium ionisation detection.

  3. Analysis of the effects of impurities in silicon

    NASA Technical Reports Server (NTRS)

    Wohlgemuth, J.; Giuliano, M. N.

    1980-01-01

    A solar cell fabrication and analysis program was conducted to determine the effects on the resultant solar cell efficiency of impurities intentionally incorporated into silicon. It was found that certain impurities such as titanium, tantalum, and vanadium were bad, even in very small concentrations. Cell performance appeared relatively tolerable to impurities such as copper, carbon, calcium, chromium, iron and nickel (in the concentration levels which were considered).

  4. Transport analysis of tungsten impurity in ITER

    NASA Astrophysics Data System (ADS)

    Murakami, Y.; Amano, T.; Shimizu, K.; Shimada, M.

    2003-03-01

    The radial distribution of tungsten impurity in ITER is calculated by using the 1.5D transport code TOTAL coupled with NCLASS, which can solve the neo-classical impurity flux considering arbitrary aspect ratio and collisionality. An impurity screening effect is observed when the density profile is flat and the line radiation power is smaller than in the case without impurity transport by a factor of 2. It is shown that 90 MW of line radiation power is possible without significant degradation of plasma performance ( HH98( y,2) ˜1) when the fusion power is 700 MW (fusion gain Q=10). The allowable tungsten density is about 7×10 15/m 3, which is 0.01% of the electron density and the increase of the effective ionic charge Zeff is about 0.39. In this case, the total radiation power is more than half of the total heating power 210 MW, and power to the divertor region is less than 100 MW. This operation regime gives an opportunity for high fusion power operation in ITER with acceptable divertor conditions. Simulations for the case with an internal transport barrier (ITB) are also performed and it is found that impurity shielding by an ITB is possible with density profile control.

  5. Analysis of the Effects of Impurities in Silicon. [to determine solar cell efficiency

    NASA Technical Reports Server (NTRS)

    Wohlgemuth, J. H.; Lafky, W. M.; Burkholder, J. H.

    1979-01-01

    A solar cell fabrication and analysis program to determine the effects on the resultant solar cell efficiency of impurities incorporated into silicon is conducted. Flight quality technologies and quality assurance are employed to assure that variations in cell performance are due to the impurities incorporated in the silicon. The type and level of impurity doping in each test lot is given and the mechanism responsible for the degradation of cell performance is identified and correlated to the doped impurities.

  6. Renormalization group analysis of graphene with a supercritical Coulomb impurity

    NASA Astrophysics Data System (ADS)

    Nishida, Yusuke

    2016-08-01

    We develop a field-theoretic approach to massless Dirac fermions in a supercritical Coulomb potential. By introducing an Aharonov-Bohm solenoid at the potential center, the critical Coulomb charge can be made arbitrarily small for one partial-wave sector, where a perturbative renormalization group analysis becomes possible. We show that a scattering amplitude for reflection of particle at the potential center exhibits the renormalization group limit cycle, i.e., log-periodic revolutions as a function of the scattering energy, revealing the emergence of discrete scale invariance. This outcome is further incorporated in computing the induced charge and current densities, which turn out to have power-law tails with coefficients log-periodic with respect to the distance from the potential center. Our findings are consistent with the previous prediction obtained by directly solving the Dirac equation and can in principle be realized by graphene experiments with charged impurities.

  7. Spectroscopic analysis of impurity precipitates in CdS films

    SciTech Connect

    Webb, J.D.; Keane, J.; Ribelin, R.; Gedvilas, L.; Swartzlander, A.; Ramanathan, K.; Albin, D.S.; Noufi, R.

    1999-03-01

    Impurities in cadmium sulfide (CdS) films are a concern in the fabrication of copper (indium, gallium) diselenide (CIGS) and cadmium telluride (CdTe) photovoltaic devices. Devices incorporating chemical-bath-deposited (CBD) CdS are comparable in quality to devices incorporating purer CdS films grown using vacuum deposition techniques, despite the higher impurity concentrations typically observed in the CBD CdS films. In this paper, we summarize and review the results of Fourier transform infrared (FTIR). Auger, electron microprobe, and X-ray photoelectron spectroscopic (XPS) analyses of the impurities in CBD CdS films. We show that these impurities differ as a function of substrate type and film deposition conditions. We also show that some of these impurities exist as 10{sup 2} micron-scale precipitates. {copyright} {ital 1999 American Institute of Physics.}

  8. Spectroscopic Analysis of Impurity Precipitates in CdS Films

    SciTech Connect

    Webb, J. D.; Keane, J.; Ribelin, R.; Gedvilas, L.; Swartzlander, A.; Ramanathan, K.; Albin, D. S.; Noufi, R.

    1999-10-31

    Impurities in cadmium sulfide (CdS) films are a concern in the fabrication of copper (indium, gallium) diselenide (CIGS) and cadmium telluride (CdTe) photovoltaic devices. Devices incorporating chemical-bath-deposited (CBD) CdS are comparable in quality to devices incorporating purer CdS films grown using vacuum deposition techniques, despite the higher impurity concentrations typically observed in the CBD CdS films. In this paper, we summarize and review the results of Fourier transform infrared (FTIR), Auger, electron microprobe, and X-ray photoelectron spectroscopic (XPS) analyses of the impurities in CBD CdS films. We show that these impurities differ as a function of substrate type and film deposition conditions. We also show that some of these impurities exist as 10{sup 2} micron-scale precipitates.

  9. International comparison CCQM-K66: Impurity analysis of methane

    NASA Astrophysics Data System (ADS)

    Kato, Kenji; Watanabe, Takuro; Heine, Hans-Joachim; Boissiere, C.; Schulz, G.; Woo, Jin-Chun; Seog Kim, Jin; Hyup Oh, Sang; Bae, Hyun Kil; Du Kim, Yong; Qiao, Han; Guenther, Frank R.; Rhoderick, George C.; Miller, Walter; Smeulders, Damian; Botha, Angelique; Janse van Rensburg, Mellisa; Tshilongo, James; Leshabane, Nompumelelo; Ntsasa, Napo; Milton, Martin J. T.; Vargha, Gergely; Harling, Alice; Konopelko, L. A.; Kustikov, Y. A.; Vasserman, I. I.; Zavyalov, S. V.; Popova, T. A.; Pankratov, V. V.; Pir, M. N.; Maltsev, M. A.; Oudwater, Rutger; Persijn, Stefan; van Wijk, Janneke; Wessel, Rob M.

    2012-01-01

    This key comparison was performed to demonstrate the capability of NMIs to analyse the purity of methane for use as a source gas in the preparation of standard gas mixtures. This capability is an essential requirement for the preparation of accurate standards of natural gas and some other fuels. Since it is difficult to carry out a comparison with individual samples of pure gas, the sample for this comparison was a synthetic mixture of high purity methane with selected added impurities of nitrogen, argon, carbon dioxide and ethane. These mixtures were prepared by a gas company as a batch of 10 cylinders and their homogeneity and stability were evaluated by NMIJ. The KCRVs for the four different analytes in this key comparison are based on a consensus of values reported by participants. The uncertainties in the degrees of equivalence were calculated by combining the reported uncertainties with the homogeneity of the samples and the uncertainty of the KCRV. The results submitted are generally consistent with the KCRV within the estimated uncertainties. Finally, this comparison demonstrates that the analysis of nitrogen, argon, carbon dioxide and ethane in methane at amount fractions of 1 µmol/mol to 5 µmol/mol is generally possible with an uncertainty of 5% to 10%. Main text. To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCQM, according to the provisions of the CIPM Mutual Recognition Arrangement (MRA).

  10. Classification of illicit heroin by UPLC-Q-TOF analysis of acidic and neutral manufacturing impurities.

    PubMed

    Liu, Cuimei; Hua, Zhendong; Bai, Yanping

    2015-12-01

    The illicit manufacture of heroin results in the formation of trace levels of acidic and neutral manufacturing impurities that provide valuable information about the manufacturing process used. In this work, a new ultra performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-TOF) method; that features high resolution, mass accuracy and sensitivity for profiling neutral and acidic heroin manufacturing impurities was developed. After the UPLC-Q-TOF analysis, the retention times and m/z data pairs of acidic and neutral manufacturing impurities were detected, and 19 peaks were found to be evidently different between heroin samples from "Golden Triangle" and "Golden Crescent". Based on the data set of these 19 impurities in 150 authentic heroin samples, classification of heroin geographic origins was successfully achieved utilizing partial least squares discriminant analysis (PLS-DA). By analyzing another data set of 267 authentic heroin samples, the developed discrimiant model was validated and proved to be accurate and reliable.

  11. Elemental impurity analysis of mercuric iodide by ICP/MS

    SciTech Connect

    Cross, E.S.; Mroz, E.; Olivares, J.A.

    1994-06-01

    A method has been developed to analyze mercuric iodide (HgI{sub 2}) for elemental contamination using Inductively Coupled Plasma/Mass Spectroscopy (ICP/MS). This paper discusses the ICP/MS method, the effectiveness of purification schemes for removing impurities from HgI{sub 2}, as well as preliminary correlations between HgI{sub 2} detector performance and elemental contamination levels. The purified HgI{sub 2} is grown into a single crystal by physical vapor transport. The crystal are cut into slices and they are fabricated into room temperature radiation detectors and photocells. Crystals that produce good resolution gamma detector do not necessarily make good resolution photocells or x-ray detectors. Many factors other than elemental impurities may contribute to these differences in performance.

  12. Elemental impurity analysis of mercuric iodide by ICP/MS

    SciTech Connect

    Cross, E.S.; Mroz, E.; Olivares, J.A.

    1993-06-01

    A method has been developed to analyze mercuric iodide (HgI{sub 2}) for elemental contamination using Inductively Coupled Plasma/Mass Spectroscopy (ICP/MS). This paper will discuss the ICP/MS method, the effectiveness of purification schemes for removing impurities from HgI{sub 2}, as well as preliminary correlations between HgI{sub 2} detector performance and elemental contamination levels.

  13. Elemental impurity analysis of mercuric iodide by ICP/MS

    SciTech Connect

    Cross, E.S. . Santa Barbara Operations); Mroz, E.; Olivares, J.A. )

    1993-01-01

    A method has been developed to analyze mercuric iodide (HgI[sub 2]) for elemental contamination using Inductively Coupled Plasma/Mass Spectroscopy (ICP/MS). This paper will discuss the ICP/MS method, the effectiveness of purification schemes for removing impurities from HgI[sub 2], as well as preliminary correlations between HgI[sub 2] detector performance and elemental contamination levels.

  14. Analysis of Impurities in Composition B by Thin Layer Chromatography

    DTIC Science & Technology

    1978-04-01

    tube with a stirring rod to manimize the entrapment of impurities ir. the solid mass. The mixture was centrifuged for 3 to Z4 minutes to separate the...flask. The washing was repeated twice. To prevent scattering in the spectrophotometric recording. care %as exercised to as- sure that no solid material...corner of the TLC sheet 3.3 cm from each edge. Care was taken to avoid sampling of solid residue into the syringe. The syringe was clamped on a stand

  15. Development of Hydrophilic Interaction Liquid Chromatography Method for the Analysis of Moxonidine and Its Impurities

    PubMed Central

    2016-01-01

    Fast and simple hydrophilic interaction liquid chromatography (HILIC) method was developed and validated for the analysis of moxonidine and its four impurities (A, B, C, and D) in pharmaceutical dosage form. All experiments were performed on the Agilent Technologies 1200 high-performance liquid chromatography (HPLC) system using Zorbax RX-SIL, 250 mm × 4.6 mm, 5 μm column as stationary phase (T = 25°C, F = 1 mL/min, and λ = 255 nm), and mixture of acetonitrile and 40 mM ammonium formate buffer (pH 2.8) 80 : 20 (v/v) as mobile phase. Under the optimal chromatographic conditions, selected by central composite design, separation and analysis of moxonidine and its four impurities are enabled within 12 minutes. Validation of the method was conducted in accordance with ICH guidelines. Based on the obtained results selectivity, linearity (r ≥ 0.9976), accuracy (recovery: 93.66%–114.08%), precision (RSD: 0.56%–2.55%), and robustness of the method were confirmed. The obtained values of the limit of detection and quantification revealed that the method can be used for determination of impurities levels below 0.1%. Validated method was applied for determination of moxonidine and its impurities in commercially available tablet formulation. Obtained results confirmed that validated method is fast, simple, and reliable for analysis of moxonidine and its impurities in tablets. PMID:27847672

  16. Derivative spectrophotometric analysis of benzophenone (as an impurity) in phenytoin.

    PubMed

    Walash, Mohamed Ibrahim; Rizk, Mohamed Salem; Sheribah, Zeinab Awad; Salim, Mohamed Mansour

    2011-12-12

    Three simple and rapid spectrophotometric methods were developed for detection and trace determination of benzophenone (the main impurity) in phenytoin bulk powder and pharmaceutical formulations. The first method, zero-crossing first derivative spectrophotometry, depends on measuring the first derivative trough values at 257.6 nm for benzophenone. The second method, zero-crossing third derivative spectrophotometry, depends on measuring the third derivative peak values at 263.2 nm. The third method, ratio first derivative spectrophotometry, depends on measuring the peak amplitudes of the first derivative of the ratio spectra (the spectra of benzophenone divided by the spectrum of 5.0 μg/mL phenytoin solution) at 272 nm. The calibration graphs were linear over the range of 1-10 μg/mL. The detection limits of the first and the third derivative methods were found to be 0.04 μg/mL and 0.11 μg/mL and the quantitation limits were 0.13 μg/mL and 0.34 μg/mL, respectively, while for the ratio derivative method, the detection limit was 0.06 μg/mL and the quantitation limit was 0.18 μg/mL. The proposed methods were applied successfully to the assay of the studied drug in phenytoin bulk powder and certain pharmaceutical preparations. The results were statistically compared to those obtained using a polarographic method and were found to be in good agreement.

  17. Source Attribution of Cyanides Using Anionic Impurity Profiling, Stable Isotope Ratios, Trace Elemental Analysis and Chemometrics.

    PubMed

    Mirjankar, Nikhil S; Fraga, Carlos G; Carman, April J; Moran, James J

    2016-02-02

    Chemical attribution signatures (CAS) for chemical threat agents (CTAs), such as cyanides, are being investigated to provide an evidentiary link between CTAs and specific sources to support criminal investigations and prosecutions. Herein, stocks of KCN and NaCN were analyzed for trace anions by high performance ion chromatography (HPIC), carbon stable isotope ratio (δ(13)C) by isotope ratio mass spectrometry (IRMS), and trace elements by inductively coupled plasma optical emission spectroscopy (ICP-OES). The collected analytical data were evaluated using hierarchical cluster analysis (HCA), Fisher-ratio (F-ratio), interval partial least-squares (iPLS), genetic algorithm-based partial least-squares (GAPLS), partial least-squares discriminant analysis (PLSDA), K nearest neighbors (KNN), and support vector machines discriminant analysis (SVMDA). HCA of anion impurity profiles from multiple cyanide stocks from six reported countries of origin resulted in cyanide samples clustering into three groups, independent of the associated alkali metal (K or Na). The three groups were independently corroborated by HCA of cyanide elemental profiles and corresponded to countries each having one known solid cyanide factory: Czech Republic, Germany, and United States. Carbon stable isotope measurements resulted in two clusters: Germany and United States (the single Czech stock grouped with United States stocks). Classification errors for two validation studies using anion impurity profiles collected over five years on different instruments were as low as zero for KNN and SVMDA, demonstrating the excellent reliability associated with using anion impurities for matching a cyanide sample to its factory using our current cyanide stocks. Variable selection methods reduced errors for those classification methods having errors greater than zero; iPLS-forward selection and F-ratio typically provided the lowest errors. Finally, using anion profiles to classify cyanides to a specific stock

  18. Source Attribution of Cyanides using Anionic Impurity Profiling, Stable Isotope Ratios, Trace Elemental Analysis and Chemometrics

    SciTech Connect

    Mirjankar, Nikhil S.; Fraga, Carlos G.; Carman, April J.; Moran, James J.

    2016-01-08

    Chemical attribution signatures (CAS) for chemical threat agents (CTAs) are being investigated to provide an evidentiary link between CTAs and specific sources to support criminal investigations and prosecutions. In a previous study, anionic impurity profiles developed using high performance ion chromatography (HPIC) were demonstrated as CAS for matching samples from eight potassium cyanide (KCN) stocks to their reported countries of origin. Herein, a larger number of solid KCN stocks (n = 13) and, for the first time, solid sodium cyanide (NaCN) stocks (n = 15) were examined to determine what additional sourcing information can be obtained through anion, carbon stable isotope, and elemental analyses of cyanide stocks by HPIC, isotope ratio mass spectrometry (IRMS), and inductively coupled plasma optical emission spectroscopy (ICP-OES), respectively. The HPIC anion data was evaluated using the variable selection methods of Fisher-ratio (F-ratio), interval partial least squares (iPLS), and genetic algorithm-based partial least squares (GAPLS) and the classification methods of partial least squares discriminate analysis (PLSDA), K nearest neighbors (KNN), and support vector machines discriminate analysis (SVMDA). In summary, hierarchical cluster analysis (HCA) of anion impurity profiles from multiple cyanide stocks from six reported country of origins resulted in cyanide samples clustering into three groups: Czech Republic, Germany, and United States, independent of the associated alkali metal (K or Na). The three country groups were independently corroborated by HCA of cyanide elemental profiles and corresponded to countries with known solid cyanide factories. Both the anion and elemental CAS are believed to originate from the aqueous alkali hydroxides used in cyanide manufacture. Carbon stable isotope measurements resulted in two clusters: Germany and United States (the single Czech stock grouped with United States stocks). The carbon isotope CAS is believed to

  19. Quantitative analysis of ripasudil hydrochloride hydrate and its impurities by reversed-phase high-performance liquid chromatography after precolumn derivatization: Identification of four impurities.

    PubMed

    Hui, Wenkai; Sun, Lili; Zhang, Hui; Zou, Liang; Zou, Qiaogen; Ouyang, Pingkai

    2016-09-01

    We report the development and validation of a stability-indicating reversed-phase high-performance liquid chromatography method with precolumn derivatization for the separation and identification of the impurities of ripasudil hydrochloride hydrate, a novel protein kinase inhibitor. 2,3,4,6-Tetra-O-acetyl-β-d-glucopyranosyl isothiocyanate was chosen as the derivatizing reagent and triethylamine was added as catalyst. 200 μL sample solution (1 mg/mL), 600 μL derivatizing reagent (1 mg/mL), and 200 μL triethylamine solution (1%, v/v) were mixed and reacted at 40°C for 30 min. The separation was achieved on an Inertsil C18 ODS-3 (250 mm × 4.6 mm, 5 μm) column using mobile phases including 10 mmol monopotassium phosphate buffer (pH 3.0) and methanol in gradient mode. The column temperature was adjusted at 25°C and the flow rate at 1 mL/min. The detection was carried out at 220 nm. Different precolumn derivatization conditions as well as the high-performance liquid chromatography conditions were optimized. Ripasudil hydrochloride hydrate and its four impurities were detected and quantitated, among which two new compounds were characterized. The proposed method was validated and proven to be selective, accurate, and precise and suitable for the quantitative analysis of ripasudil hydrochloride hydrate.

  20. A quasi-linear analysis of the impurity effect on turbulent momentum transport and residual stress

    NASA Astrophysics Data System (ADS)

    Ko, S. H.; Jhang, Hogun; Singh, R.

    2015-08-01

    We study the impact of impurities on turbulence driven intrinsic rotation (via residual stress) in the context of the quasi-linear theory. A two-fluid formulation for main and impurity ions is employed to study ion temperature gradient modes in sheared slab geometry modified by the presence of impurities. An effective form of the parallel Reynolds stress is derived in the center of mass frame of a coupled main ion-impurity system. Analyses show that the contents and the radial profile of impurities have a strong influence on the residual stress. In particular, an impurity profile aligned with that of main ions is shown to cause a considerable reduction of the residual stress, which may lead to the reduction of turbulence driven intrinsic rotation.

  1. A quasi-linear analysis of the impurity effect on turbulent momentum transport and residual stress

    SciTech Connect

    Ko, S. H. Jhang, Hogun; Singh, R.

    2015-08-15

    We study the impact of impurities on turbulence driven intrinsic rotation (via residual stress) in the context of the quasi-linear theory. A two-fluid formulation for main and impurity ions is employed to study ion temperature gradient modes in sheared slab geometry modified by the presence of impurities. An effective form of the parallel Reynolds stress is derived in the center of mass frame of a coupled main ion-impurity system. Analyses show that the contents and the radial profile of impurities have a strong influence on the residual stress. In particular, an impurity profile aligned with that of main ions is shown to cause a considerable reduction of the residual stress, which may lead to the reduction of turbulence driven intrinsic rotation.

  2. Batch methods for enriching trace impurities in hydrogen gas for their further analysis

    SciTech Connect

    Ahmed, Shabbir; Lee, Sheldon H.D.; Kumar, Romesh; Papdias, Dionissios D.

    2014-07-15

    Provided herein are batch methods and devices for enriching trace quantities of impurities in gaseous mixtures, such as hydrogen fuel. The methods and devices rely on concentrating impurities using hydrogen transport membranes wherein the time period for concentrating the sample is calculated on the basis of optimized membrane characteristics, comprising its thickness and permeance, with optimization of temperature, and wherein the enrichment of trace impurities is proportional to the pressure ratio P.sub.hi/P.sub.lo and the volume ratio V.sub.1/V.sub.2, with following detection of the impurities using commonly-available detection methods.

  3. Matrix precipitation: a general strategy to eliminate matrix interference for pharmaceutical toxic impurities analysis.

    PubMed

    Yang, Xiaojing; Xiong, Xuewu; Cao, Ji; Luan, Baolei; Liu, Yongjun; Liu, Guozhu; Zhang, Lei

    2015-01-30

    Matrix interference, which can lead to false positive/negative results, contamination of injector or separation column, incompatibility between sample solution and the selected analytical instrument, and response inhibition or even quenching, is commonly suffered for the analysis of trace level toxic impurities in drug substance. In this study, a simple matrix precipitation strategy is proposed to eliminate or minimize the above stated matrix interference problems. Generally, a sample of active pharmaceutical ingredients (APIs) is dissolved in an appropriate solvent to achieve the desired high concentration and then an anti-solvent is added to precipitate the matrix substance. As a result, the target analyte is extracted into the mixed solution with very less residual of APIs. This strategy has the characteristics of simple manipulation, high recovery and excellent anti-interference capability. It was found that the precipitation ratio (R, representing the ability to remove matrix substance) and the proportion of solvent (the one used to dissolve APIs) in final solution (P, affecting R and also affecting the method sensitivity) are two important factors of the precipitation process. The correlation between R and P was investigated by performing precipitation with various APIs in different solvent/anti-solvent systems. After a detailed mathematical reasoning process, P=20% was proved to be an effective and robust condition to perform the precipitation strategy. The precipitation method with P=20% can be used as a general strategy for toxic impurity analysis in APIs. Finally, several typical examples are described in this article, where the challenging matrix interference issues have been resolved successfully.

  4. Quantitative Analysis of Volatile Impurities in Diallyldimethylammonium Chloride Monomer Solution by Gas Chromatography Coupled with Liquid-Liquid Extraction

    PubMed Central

    Wang, Haiying; Wang, Weixin

    2017-01-01

    The quantitative analysis method for volatile impurities in diallyldimethylammonium chloride (DADMAC) monomer solution was established in this paper. The volatile impurities were quantitatively analyzed with trichloromethane as extraction solvent and n-hexane as internal standard by using gas chromatography (GC) coupled with solvent extraction, and the chromatographic conditions, quantitative methods, and extraction conditions were systematically investigated in detail. The results showed that excellent linear relationships of 5 volatile impurities (dimethylamine, allyldimethylamine, allyl chloride, allyl alcohol, and allyl aldehyde) were obtained in the range of 1–100 mg·L−1. The method also showed good specificity, recovery (95.0%–107.5%), and relative standard deviation (RSD, 1.40%–7.67%). This method could accurately detect the whole volatile impurities in DADMAC monomer solution quantitatively in one time with a low detection limit. Furthermore, this method is conducive to the preparation of highly pure DADMAC monomer and the development of national and international standards of the DADMAC monomer product quality, and the results could provide a strong foundation for the regulation and mechanism research of impurities on monomer reactivity in polymerization. PMID:28243255

  5. Impurity variations in a carbon black: Characterization by the Ames Salmonella mutagenicity assay and polycyclic aromatic hydrocarbon analysis

    SciTech Connect

    Agurell, E. ); Loefroth, G. )

    1993-02-01

    Samples of a furnace carbon black, N-330, were collected from the production line during a period of three years. Following extraction with benzene and solvent exchange, the mutagenic response was determined with the Ames Salmonella assay in the TA98 and TA100 strains with and without addition of S9. The samples were mainly mutagenic in the presence of S9, showing that polycyclic aromatic hydrocarbons (PAHs) were the major mutagenic impurities. The mutagenic response varied 30-fold among the samples. Analysis of PAHs in the range from phenanthrene to coronene also showed a wide variation between samples being correlated to the mutagenic response. The large concentration differences of impurities between batches implies that a single batch cannot be used for generalized toxicological studies. The presence of PAH and mutagenic impurities in the investigated carbon black is a significant source of these environmental pollutants compared to another source of concern, automobile exhaust.

  6. A calibration to predict the concentrations of impurities in plutonium oxide by prompt gamma analysis: Revision 1

    SciTech Connect

    Narlesky, Joshua E.; Foster, Lynn A.; Kelly, Elizabeth J.; Murray, Roy E., IV

    2009-12-01

    Over 5,500 containers of excess plutonium-bearing materials have been packaged for long-term storage following the requirements of DOE-STD- 3013. Knowledge of the chemical impurities in the packaged materials is important because certain impurities, such as chloride salts, affect the behavior of the material in storage leading to gas generation and corrosion when sufficient moisture also is present. In most cases, the packaged materials are not well characterized, and information about the chemical impurities is limited to knowledge of the material’s processing history. The alpha-particle activity from the plutonium and americium isotopes provides a method of nondestructive self-interrogation to identify certain light elements through the characteristic, prompt gamma rays that are emitted from alpha-particle-induced reactions with these elements. Gamma-ray spectra are obtained for each 3013 container using a highresolution, coaxial high-purity germanium detector. These gamma-ray spectra are scanned from 800 to 5,000 keV for characteristic, prompt gamma rays from the detectable elements, which include lithium, beryllium, boron, nitrogen, oxygen, fluorine, sodium, magnesium, aluminum, silicon, phosphorus, chlorine, and potassium. The lower limits of detection for these elements in a plutonium-oxide matrix increase with atomic number and range from 100 or 200 ppm for the lightest elements such as lithium and beryllium, to 19,000 ppm for potassium. The peak areas from the characteristic, prompt gamma rays can be used to estimate the concentration of the light-element impurities detected in the material on a semiquantitative basis. The use of prompt gamma analysis to assess impurity concentrations avoids the expense and the risks generally associated with performing chemical analysis on radioactive materials. The analyzed containers are grouped by impurity content, which helps to identify high-risk containers for surveillance and in sorting materials before packaging.

  7. Analysis of pharmaceutical impurities in the methamphetamine crystals seized for drug trafficking in Korea.

    PubMed

    Choe, Sanggil; Heo, Sewoong; Choi, Hyeyoung; Kim, Eunmi; Chung, Heesun; Lee, Jaesin

    2013-04-10

    Some methamphetamine (MA) crystals contain pharmaceutical impurities. They often come from the co-ingredients of cold drugs used for extracting ephedrine or pseudoephedrine. Though these impurities are not so commonly encountered, they reflect the trends in precursor chemicals and manufacturing sources. As a result of monitoring impurities in the MA crystals seized in Korea during 2006-2011, 10 species of pharmaceutical impurities were identified by gas chromatography-flame ionization detection and gas chromatography-mass spectrometry. They may be co-ingredients of the legal drugs used as a source of ephedrine or pseudoephedrine. In contrast, some of them are presumed to be adulterants added during or after clandestine synthesis. It is interesting that some of these have been identified in the MA crystals seized in other countries in the same year. Species of pharmaceutical impurities in the MA crystals increased particularly in 2010, indicating a change in precursor chemicals and/or manufacturing sources.

  8. Spectroscopic analysis of low Z impurities in the Tandem Mirror Experiment-upgrade

    SciTech Connect

    Yu, T.L.

    1986-09-01

    Two absolutely calibrated EUV instruments have been used to study the impurity characteristics in the Tandem Mirror Experiment-Upgrade (TMX-U). One instrument is a normal incidence spectrograph that measures the time histories of several impurity emission lines (300 to 1800 A) in a single shot; radial scans can be obtained on a shot-by-shot basis. The other instrument is a monochromator that measures time-resolved radial profiles of a given impurity emission line in a single shot. The common intrinsic impurities measured in TMX-U are C,N,O and Ti. It has been shown that large fractions of the oxygen and nitrogen in the plasma are associated with the neutral beams while the main source of carbon is the plasma wall. In general, the concentration of each of the impurities is low (<1%), and the power radiated by them is less than 10 kW, which is a small portion of the total input power to the plasma. The concentrations of the impurities can be reduced substantially blow discharge cleaning and titanium gettering. No significant accumulation of impurity ions in the thermal barrier region has been observed.

  9. Fast analysis of glibenclamide and its impurities: quality by design framework in capillary electrophoresis method development.

    PubMed

    Furlanetto, Sandra; Orlandini, Serena; Pasquini, Benedetta; Caprini, Claudia; Mura, Paola; Pinzauti, Sergio

    2015-10-01

    A fast capillary zone electrophoresis method for the simultaneous analysis of glibenclamide and its impurities (I(A) and I(B)) in pharmaceutical dosage forms was fully developed within a quality by design framework. Critical quality attributes were represented by I(A) peak efficiency, critical resolution between glibenclamide and I(B), and analysis time. Experimental design was efficiently used for rapid and systematic method optimization. A 3(5)//16 symmetric screening matrix was chosen for investigation of the five selected critical process parameters throughout the knowledge space, and the results obtained were the basis for the planning of the subsequent response surface study. A Box-Behnken design for three factors allowed the contour plots to be drawn and the design space to be identified by introduction of the concept of probability. The design space corresponded to the multidimensional region where all the critical quality attributes reached the desired values with a degree of probability π ≥ 90%. Under the selected working conditions, the full separation of the analytes was obtained in less than 2 min. A full factorial design simultaneously allowed the design space to be validated and method robustness to be tested. A control strategy was finally implemented by means of a system suitability test. The method was fully validated and was applied to real samples of glibenclamide tablets.

  10. FTIR, EPMA, Auger, and XPS analysis of impurity precipitates in CdS films

    SciTech Connect

    Webb, J.D.; Rose, D.H.; Niles, D.W.; Swartzlander, A.; Al-Jassim, M.M.

    1997-12-31

    Impurities in cadmium sulfide (CdS) films are a concern in the fabrication of copper (indium, gallium) diselenide (CIGS) and cadmium telluride (CdTe) photovoltaic devices. Films of CdS grown using chemical bath deposition (CBD) generally yield better devices than purer CdS films grown using vacuum deposition techniques, despite the higher impurity concentrations typically observed in the CBD CdS films. In this work, the authors present Fourier transform infrared (FTIR), Auger, electron microprobe (EPMA), X-ray photoelectron spectroscopic (XPS), and secondary ion mass spectroscopic (SIMS) analyses of the impurities in CBD CdS films, and show that these differ as a function of substrate type and film deposition conditions. They also show that some of these impurities exist as 10{sup 2} micron-scale precipitates.

  11. Impurity analysis of pure aldrin using heart-cut multi-dimensional gas chromatography-mass spectrometry.

    PubMed

    Li, Xiaomin; Dai, Xinhua; Yin, Xiong; Li, Ming; Zhao, Yingchen; Zhou, Jian; Huang, Ting; Li, Hongmei

    2013-02-15

    Identification and quantification of related-structure impurity is a research focus in the purity assessment of organic compounds. Determination of the purity value and uncertainty assessment are also important in the metrological research. A method for the determination of related-structure impurity in pure aldrin sample has been developed by using heart-cut multi-dimensional gas chromatography-mass spectrometry (MDGC/MS). Compared to the traditional one-dimensional (1-D) GC system, the two separated columns in the MDGC/MS system can effectively reduce co-elution, enhance separation capability, and thus improve detectability of the trace-level impurities. In addition, MDGC/MS system was simultaneously equipped with flame ionization detector (FID) or electron capture detector (ECD) in the first GC unit and mass spectrometry (MS) detector in the second GC unit. Therefore, accurate quantitative results of the trace-level impurities can be easily achieved by isolation of principal component to the second dimension column using "heart-cut" process. The mass fraction of related-structure impurities in aldrin samples obtained using MDGC/MS system ranged from 6.8×10⁻³ mg g⁻¹ to 26.47 mg g⁻¹ with five orders of magnitude, which is hard to be realized by mean of the 1-D GC. Excellent linearity with correlation coefficients of above 0.999 was achieved for each impurity analysis over a wide range of concentrations. Limits of quantification (LOQ) varied from 250 ng g⁻¹ to 330 ng g⁻¹ for FID, and from 1.0 ng g⁻¹ to 2.0 ng g⁻¹ detected by ECD. The combined standard uncertainty (u(c)) was lower than 0.37 mg g⁻¹ and 0.040 mg g⁻¹ detected using FID and ECD, respectively. Therefore, performance characterization of MDGC/MS used in the study is fit for quantification analysis of trace-level impurity. These results demonstrate that the MDGC/MS is extremely suitable for the purity assessment of organic compounds with medium structural complexity and low

  12. Process development and impurities analysis for the bottom antireflective coating material

    NASA Astrophysics Data System (ADS)

    Ko, Fu-Hsiang; Chen, Hsuen-Li; Huang, Tiao-Yuan; Cheng, Hsu-Chun; Ko, Chu-Jung; Chu, Tieh-Chi

    2001-08-01

    The optical behavior of semiconductor bottom antireflective coating (BARC) material was investigated by both the measurement and simulation methods. The effects of spin- coating rate, interface reflection, BARC layer thickness and photoresist layer thickness were studied. Our results indicated that the 62.5 nm of BARC layer had strong effect on suppressing the light reflection of wavelength of 248 nm form the wafer surface, irrespective of the photoresist layer thickness. Based on the gravimetric method, a high throughput and one-step microwave digestion procedure was developed for the BARC materials. The digestion efficiency increased with the digestion duration and the temperature. By following the established one-step microwave digestion method and inductively coupled plasma mass spectrometry determination, the detection limits obtained for Cr, Ni, Cu, An and Pb were in 0.1 to 1.11 ppb levels. The spike recoveries of the metallic impurities were in the range 86- 102% for the BARC materials. The analytical results of the BARC samples were found to be in reasonably good agreement with our previous method, and the analytical throughput can achieve up to 20 samples per hour for the analysis of 5 elements.

  13. Reverse process of usual optical analysis of boson-exchange superconductors: impurity effects on s- and d-wave superconductors.

    PubMed

    Hwang, Jungseek

    2015-03-04

    We performed a reverse process of the usual optical data analysis of boson-exchange superconductors. We calculated the optical self-energy from two (MMP and MMP+peak) input model electron-boson spectral density functions using Allen's formula for one normal and two (s- and d-wave) superconducting cases. We obtained the optical constants including the optical conductivity and the dynamic dielectric function from the optical self-energy using an extended Drude model, and finally calculated the reflectance spectrum. Furthermore, to investigate impurity effects on optical quantities we added various levels of impurities (from the clean to the dirty limit) in the optical self-energy and performed the same reverse process to obtain the optical conductivity, the dielectric function, and reflectance. From these optical constants obtained from the reverse process we extracted the impurity-dependent superfluid densities for two superconducting cases using two independent methods (the Ferrel-Glover-Tinkham sum rule and the extrapolation to zero frequency of -ϵ1(ω)ω(2)); we found that a certain level of impurities is necessary to get a good agreement on results obtained by the two methods. We observed that impurities give similar effects on various optical constants of s- and d-wave superconductors; the greater the impurities the more distinct the gap feature and the lower the superfluid density. However, the s-wave superconductor gives the superconducting gap feature more clearly than the d-wave superconductor because in the d-wave superconductors the optical quantities are averaged over the anisotropic Fermi surface. Our results supply helpful information to see how characteristic features of the electron-boson spectral function and the s- and d-wave superconducting gaps appear in various optical constants including raw reflectance spectrum. Our study may help with a thorough understanding of the usual optical analysis process. Further systematic study of experimental

  14. Structural Analysis and Quantitative Determination of Clevidipine Butyrate Impurities Using an Advanced RP-HPLC Method.

    PubMed

    Zhou, Yuxia; Zhou, Fan; Yan, Fei; Yang, Feng; Yao, Yuxian; Zou, Qiaogen

    2016-03-01

    Eleven potential impurities, including process-related compounds and degradation products, have been analyzed by comprehensive studies on the manufacturing process of clevidipine butyrate. Possible formation mechanisms could also be devised. MS and NMR techniques have been used for the structural characterization of three previously unreported impurities (Imp-3, Imp-5 and Imp-11). To separate and quantify the potential impurities in a simultaneous fashion, an efficient and advanced RP-HPLC method has been developed. In doing so, four major degradation products (Imp-2, Imp-4, Imp-8 and Imp-10) can be observed under varying stress conditions. This analytical method has been validated according to ICH guidelines with respect to specificity, accuracy, linearity, robustness and stability. The method described has been demonstrated to be applicable in routine quality control processes and stability evaluation studies of clevidipine butyrate.

  15. Effect of weak impurities on electronic properties of graphene: Functional renormalization-group analysis

    NASA Astrophysics Data System (ADS)

    Katanin, A.

    2013-12-01

    We consider an effect of weak impurities on the electronic properties of graphene within the functional renormalization-group approach. The energy dependences of the electronic self-energy and density of states near the neutrality point are discussed. Depending on the symmetry of the impurities, the electronic damping Γ and density of states ρ can deviate substantially from those given by the self-consistent Born approximation. We investigate the crossover from the results of the self-consistent Born approximation, which are valid far from the neutrality point to the strong-coupling (diffusive) regime near the neutrality point. For impurities, which are diagonal in both valley and sublattice indices, we obtain a finite density of states at the Fermi level with values which are much bigger than the result of the self-consistent Born approximation.

  16. Impurity gettering

    SciTech Connect

    Picraux, S.T.

    1995-06-01

    Transition metal impurities are well known to cause detrimental effects when present in the active regions of Si devices. Their presence degrades minority carrier lifetime, provides recombination-generation centers, increases junction leakage current and reduces gate oxide integrity. Thus, gettering processes are used to reduce the available metal impurities from the active region of microelectronic circuits. Gettering processes are usually divided into intrinsic (or internal) and extrinsic (or external) categories. Intrinsic refers to processing the Si wafer in a way to make available internal gettering sites, whereas extrinsic implies externally introduced gettering sites. Special concerns have been raised for intrinsic gettering. Not only will the formation of the precipitated oxide and denuded zone be difficult to achieve with the lower thermal budgets, but another inherent limit may set in. In this or any process which relies on the precipitation of metal silicides the impurity concentration can only be reduced as low as the solid solubility limit. However, the solubilities of transition metals relative to silicide formation are typically found to be {approx_gt}10{sup 12}/cm{sup 3} at temperatures of 800 C and above, and thus inadequate to getter to the needed concentration levels. It is thus anticipated that future microelectronic device processing will require one or more of the following advances in gettering technology: (1) new and more effective gettering mechanisms; (2) quantitative models of gettering to allow process optimization at low process thermal budgets and metal impurity concentrations, and/or (3) development of front side gettering methods to allow for more efficient gettering close to device regions. These trend-driven needs provide a driving force for qualitatively new approaches to gettering and provide possible new opportunities for the use of ion implantation in microelectronics processing.

  17. Chemical analysis of impurity boron atoms in diamond using soft X-ray emission spectroscopy.

    PubMed

    Muramatsu, Yasuji; Iihara, Junji; Takebe, Toshihiko; Denlinger, Jonathan D

    2008-07-01

    To analyze the local structure and/or chemical states of boron atoms in boron-doped diamond, which can be synthesized by the microwave plasma-assisted chemical vapor deposition method (CVD-B-diamond) and the temperature gradient method at high pressure and high temperature (HPT-B-diamond), we measured the soft X-ray emission spectra in the CK and BK regions of B-diamonds using synchrotron radiation at the Advanced Light Source (ALS). X-ray spectral analyses using the fingerprint method and molecular orbital calculations confirm that boron atoms in CVD-B-diamond substitute for carbon atoms in the diamond lattice to form covalent B-C bonds, while boron atoms in HPT-B-diamond react with the impurity nitrogen atoms to form hexagonal boron nitride. This suggests that the high purity diamond without nitrogen impurities is necessary to synthesize p-type B-diamond semiconductors.

  18. Chemical Analysis of Impurity Boron Atoms in Diamond Using Soft X-ray Emission Spectroscopy

    SciTech Connect

    Muramatsu, Yasuji; Iihara, Junji; Takebe, Toshihiko; Denlinger, Jonathan D.

    2008-03-29

    To analyze the local structure and/or chemical states of boron atoms in boron-doped diamond, which can be synthesized by the microwave plasma-assisted chemical vapor deposition method (CVD-B-diamond) and the temperature gradient method at high pressure and high temperature (HPT-B-diamond), we measured the soft X-ray emission spectra in the CK and BK regions of B-diamonds using synchrotron radiation at the Advanced Light Source (ALS). X-ray spectral analyses using the fingerprint method and molecular orbital calculations confirm that boron atoms in CVD-B-diamond substitute for carbon atoms in the diamond lattice to form covalent B-C bonds, while boron atoms in HPT-B-diamond react with the impurity nitrogen atoms to form hexagonal boron nitride. This suggests that the high purity diamond without nitrogen impurities is necessary to synthesize p-type B-diamond semiconductors.

  19. Determining residual impurities in sapphire by means of electron paramagnetic resonance and nuclear activation analysis

    NASA Astrophysics Data System (ADS)

    Bletskan, D. I.; Bratus', V. Ya.; Luk'yanchuk, A. R.; Maslyuk, V. T.; Parlag, O. A.

    2008-07-01

    Sapphire (α-Al2O3) single crystals grown using the Verneuil and Kyropoulos methods have been analyzed using electron paramagnetic resonance and γ-ray spectroscopy with 12-MeV bremsstrahlung excitation. It is established that uncontrolled impurities in the final sapphire single crystals grown by the Kyropoulos method in molybdenum-tungsten crucibles are supplied both from the initial materials and from the furnace and crucible materials

  20. Adsorption site analysis of impurity embedded single-walled carbon nanotube bundles

    USGS Publications Warehouse

    Agnihotri, S.; Mota, J.P.B.; Rostam-Abadi, M.; Rood, M.J.

    2006-01-01

    Bundle morphology and adsorptive contributions from nanotubes and impurities are studied both experimentally and by simulation using a computer-aided methodology, which employs a small physisorbed probe molecule to explore the porosity of nanotube samples. Grand canonical Monte Carlo simulation of nitrogen adsorption on localized sites of a bundle is carried out to predict adsorption in its accessible internal pore volume and on its external surface as a function of tube diameter. External adsorption is split into the contributions from the clean surface of the outermost nanotubes of the bundle and from the surface of the impurities. The site-specific isotherms are then combined into a global isotherm for a given sample using knowledge of its tube-diameter distribution obtained by Raman spectroscopy. The structural parameters of the sample, such as the fraction of open-ended nanotubes and the contributions from impurities and nanotube bundles to total external surface area, are determined by fitting the experimental nitrogen adsorption data to the simulated isotherm. The degree of closure between experimental and calculated adsorption isotherms for samples manufactured by two different methods, to provide different nanotube morphology and contamination level, further strengthens the validity and resulting interpretations based on the proposed approach. The average number of nanotubes per bundle and average bundle size, within a sample, are also quantified. The proposed method allows for extrapolation of adsorption properties to conditions where the purification process is 100% effective at removing all impurities and opening access to all intrabundle adsorption sites. ?? 2006 Elsevier Ltd. All rights reserved.

  1. Analysis of trace impurities in neon by a customized gas chromatography.

    PubMed

    Yin, Min Kyo; Lim, Jeong Sik; Moon, Dong Min; Lee, Gae Ho; Lee, Jeongsoon

    2016-09-09

    Excimer lasers, widely used in the semiconductor industry, are crucial for analyzing the purity of premix laser gases for the purpose of controlling stable laser output power. In this study, we designed a system for analyzing impurities in pure neon (Ne) base gas by customized GC. Impurities in pure neon (H2 and He), which cannot be analyzed at the sub-μmol/mol level using commercial GC detectors, were analyzed by a customized pulsed-discharge Ne ionization detector (PDNeD) and a pressurized injection thermal conductivity detector using Ne as the carrier gas (Pres. Inj. Ne-TCD). From the results, trace species in Ne were identified with the following detection limits: H2, 0.378μmol/mol; O2, 0.119μmol/mol; CH4, 0.880μmol/mol; CO, 0.263μmol/mol; CO2, 0.162μmol/mol (PDNeD); and He, 0.190μmol/mol (Pres. Inj. Ne-TCD). This PDNeD and pressurized injection Ne-TCD technique thus developed permit the quantification of trace impurities present in high-purity Ne.

  2. Linear microstability analysis of a low-Z impurity doped tokamak plasma

    NASA Astrophysics Data System (ADS)

    Romanelli, M.; Szepesi, G.; Peeters, A. G.; Apicella, M. L.; Marinucci, M.; Mazzotta, C.; Mazzitelli, G.; Frigione, D.

    2011-10-01

    Improved electron and deuterium energy and particle confinement in the presence of low-Z impurities have been observed in many tokamaks under various experimental conditions. Peaked electron density profiles have been obtained in the Frascati Tokamak Upgrade (FTU) ohmic plasmas where a high concentration of lithium has been detected following the installation of a Liquid Lithium Limiter (LLL). This paper presents the results of a gyrokinetic study on the effects of lithium and other low-Z impurities on the linear stability of deuterium and electron temperature driven modes and their associated fluxes for plasma parameters such as those found in the core of LLL-FTU plasmas. Simulations show that a lithium concentration in excess of nLi/ne = 15%, as estimated in the initial phase of a reference FTU discharge, is found to have a strong stabilizing effect on the TEM and high-frequency ETG modes. A significant stabilization of the electron driven modes can still be observed when the lithium concentration is reduced to 3%. In the presence of a significant impurity concentration (nLi/ne = 3-15%) the long wavelength ITG modes drive an inward electron and deuterium flux and outward lithium flux. This process may lead eventually to an increased electron and deuterium density peaking and a reduced Zeff (lithium density below nLi/ne = 1%).

  3. Characterization of the cell growth analysis for detection of immortal cellular impurities in human mesenchymal stem cells.

    PubMed

    Kono, Ken; Takada, Nozomi; Yasuda, Satoshi; Sawada, Rumi; Niimi, Shingo; Matsuyama, Akifumi; Sato, Yoji

    2015-03-01

    The analysis of in vitro cell senescence/growth after serial passaging can be one of ways to show the absence of immortalized cells, which are frequently tumorigenic, in human cell-processed therapeutic products (hCTPs). However, the performance of the cell growth analysis for detection of the immortalized cellular impurities has never been evaluated. In the present study, we examined the growth rates of human mesenchymal stem cells (hMSCs, passage 5 (P = 5)) contaminated with various doses of HeLa cells, and compared with that of hMSCs alone. The growth rates of the contaminated hMSCs were comparable to that of hMSCs alone at P = 5, but significantly increased at P = 6 (0.1% and 0.01% HeLa) or P = 7 (0.001% HeLa) within 30 days. These findings suggest that the cell growth analysis is a simple and sensitive method to detect immortalized cellular impurities in hCTPs derived from human somatic cells.

  4. Development and validation of a reversed-phase HPLC method for simultaneous analysis of butylhydroxyanisol, simvastatin and its impurities in tablet dosage forms.

    PubMed

    El Karbane, M; Azougagh, M; Amood A L-Kamarany, M; Bouchafra, H; Cherrah, Y; Bouklouze, A

    2014-07-01

    A simple, rapid, and sensitive RP-HPLC method using photodiode array detection was developed and validated for the simultaneous determination of butylhydroxyanisol and simvastatin with its impurities in tablet forms. Chromatographic separation was achieved on a Phenomenex Hypersil (250×4.6 mm, 5 μm) column using the mobile phase acetonitrile-sodium acetate (12 mM) buffered to 4.2 with glacial acetic acid. The flow rate was 1.7 mL/min, and the UV detection were made at 238 nm for simvastatin and its impurities and at 290 nm for butylhydroxyanisol. The system suitability solution used for peak impurity identification was generated in-situ without use of any impurity reference standard. The method was validated according to ICH Q2(R1) guidelines, and the acceptance criteria for accuracy, precision, linearity, specificity, robustness, LOD, and LOQ, were met in all cases. Moreover, the reproducibility results obtained by 22 Official Medicines Control Laboratories (OMCL) of European Directorate were satisfactory. The compounds selected for impurity validation were based on those found during long term and accelerate stability studies carried out on several formulation tablets from Moroccan and other markets. The described method was robust and successfully applied in quality control laboratories for routine analysis to determine the butylhydroxyanisol and simvastatin with its impurities content in tablet dosage forms.

  5. Proceedings of the workshop on applications of synchrotron radiation to trace impurity analysis for advanced silicon processing

    SciTech Connect

    Laderman, S; Pianetta, P

    1993-03-01

    Wafer surface trace impurity analysis is essential for development of competitive Si circuit technologies. Today's grazing incidence x-ray fluorescence techniques with rotating anodes fall short of requirements for the future. Hewlett Packard/Toshiba experiments indicate that with second generation synchrotron sources such as SSRL, the techniques can be extended sufficiently to meet important needs of the leading edge Si circuit industry through nearly all of the 1990's. This workshop was held to identify people interested in use of synchrotron radiation-based methods and to document needs and concerns for further development. Viewgraphs are included for the following presentations: microcontamination needs in silicon technology (M. Liehr), analytical methods for wafer surface contamination (A. Schimazaki), trace impurity analysis of liquid drops using synchrotron radiation (D. Wherry), TRXRF using synchrotron sources (S. Laderman), potential role of synchrotron radiation TRXRF in Si process R D (M. Scott), potenital development of synchrotron radiation facilities (S. Brennan), and identification of goals, needs and concerns (M. Garner).

  6. Tight-binding analysis of the electronic states in AlAs with N isoelectronic impurities

    SciTech Connect

    Jo, M.; Mano, T.; Sakuma, Y.; Sakoda, K.

    2014-03-28

    Incorporation of nitrogen (N) atoms into III–V semiconductors significantly changes their electronic structures. The aim of this study was to assess the electronic states in AlAs that contained N impurities. An sp{sup 3}s{sup *} tight-binding model along with valence-force-field strain calculations were used to obtain the energy levels in N-doped AlAs. The calculations showed that an isolated N atom formed a resonant state above the conduction band edge in AlAs. In contrast, NN{sub 1}[110] and NN{sub 4}[220] pairs formed bound states inside the band gap. The formation of two bound states was consistent with the photoluminescence spectrum of N δ-doped AlAs.

  7. Analysis of trace impurities in organometallic semiconductor grade reagent materials using electrothermal vaporization - inductively coupled plasma spectrometry

    SciTech Connect

    Argentine, M.D.

    1993-12-31

    Trace impurity determinations in volatile, pyrophoric organometallic materials is complicated owing to its chemical nature. Furthermore, trends toward high semiconductor circuit density demand that impurity determinations are performed at increasingly low levels. Volatility of the impurities is also desired as it plays a significant role in impurity incorporation in semiconductor products. Determination of both volatile and nonvolatile impurities in semiconductor-grade organometallic reagent materials has been accomplished using electrothermal vaporization-inductively coupled plasma spectrometry. Solid or liquid materials can be dispensed directly onto a graphite microboat, and application of an appropriate time-temperature ramp allows separation of impurities based on volatility. Temporal separation allows quantitative capabilities on both volatile and nonvolatile signals in a single ETV run. Calibration efforts for volatile impurities have been compared with results from exponential dilution and direct vapor sampling techniques. Nonvolatile impurity determinations can be reasonably performed with aqueous external standard calibration. Inductively coupled plasma-mass spectrometry provides an alternate and more sensitive, multielement detection method. Several spectroscopic and non-spectroscopic difficulties with volatile impurity detection remain. Nonetheless, qualitative and semiquantitative (<50% RSD) determination of most impurities may be performed in a single ETV run.

  8. Development and validation of a hydrophilic interaction chromatography method coupled with a charged aerosol detector for quantitative analysis of nonchromophoric α-hydroxyamines, organic impurities of metoprolol.

    PubMed

    Xu, Qun; Tan, Shane; Petrova, Katya

    2016-01-25

    The European Pharmacopeia (EP) metoprolol impurities M and N are polar, nonchromophoric α-hydroxyamines, which are poorly retained in a conventional reversed-phase chromatographic system and are invisible for UV detection. Impurities M and N are currently analyzed by TLC methods in the EP as specified impurities and in the United States Pharmacopeia-National Formulary (USP-NF) as unspecified impurities. In order to modernize the USP monographs of metoprolol drug substances and related drug products, a hydrophilic interaction chromatography (HILIC) method coupled with a charged aerosol detector (CAD) was explored for the analysis of the two impurities. A comprehensive column screening that covers a variety of HILIC stationary phases (underivatized silica, amide, diol, amino, zwitterionic, polysuccinimide, cyclodextrin, and mixed-mode) and optimization of HPLC conditions led to the identification of a Halo Penta HILIC column (4.6 × 150 mm, 5 μm) and a mobile phase comprising 85% acetonitrile and 15% ammonium formate buffer (100 mM, pH 3.2). Efficient separations of metoprolol, succinic acid, and EP metoprolol impurities M and N were achieved within a short time frame (<8 min). The HILIC-CAD method was subsequently validated per USP validation guidelines with respect to specificity, robustness, linearity, accuracy, and precision, and could be incorporated into the current USP-NF monographs to replace the outdated TLC methods. Furthermore, the developed method was successfully applied to determine organic impurities in metoprolol drug substance (metoprolol succinate) and drug products (metoprolol tartrate injection and metoprolol succinate extended release tablets).

  9. Thermal Analysis of Surrogate Simulated Molten Salts with Metal Chloride Impurities for Electrorefining Used Nuclear Fuel

    SciTech Connect

    Toni Y. Gutknecht; Guy L. Fredrickson; Vivek Utgikar

    2012-04-01

    This project is a fundamental study to measure thermal properties (liquidus, solidus, phase transformation, and enthalpy) of molten salt systems of interest to electrorefining operations, which are used in both the fuel cycle research & development mission and the spent fuel treatment mission of the Department of Energy. During electrorefining operations the electrolyte accumulates elements more active than uranium (transuranics, fission products and bond sodium). The accumulation needs to be closely monitored because the thermal properties of the electrolyte will change as the concentration of the impurities increases. During electrorefining (processing techniques used at the Idaho National Laboratory to separate uranium from spent nuclear fuel) it is important for the electrolyte to remain in a homogeneous liquid phase for operational safeguard and criticality reasons. The phase stability of molten salts in an electrorefiner may be adversely affected by the buildup of fission products in the electrolyte. Potential situations that need to be avoided are: (i) build up of fissile elements in the salt approaching the criticality limits specified for the vessel (ii) freezing of the salts due to change in the liquidus temperature and (iii) phase separation (non-homogenous solution) of elements. The stability (and homogeneity) of the phases can potentially be monitored through the thermal characterization of the salts, which can be a function of impurity concentration. This work describes the experimental results of typical salts compositions, consisting of chlorides of strontium, samarium, praseodymium, lanthanum, barium, cerium, cesium, neodymium, sodium and gadolinium (as a surrogate for both uranium and plutonium), used in the processing of used nuclear fuels. Differential scanning calorimetry was used to analyze numerous salt samples providing results on the thermal properties. The property of most interest to pyroprocessing is the liquidus temperature. It was

  10. Investigation of chemical impurities in formulations, phytotherapics and polyvitaminic medicines by k0-instrumental neutron activation analysis

    NASA Astrophysics Data System (ADS)

    Leal, A. S.; Menezes, M. Â. B. C.; Vermaercke, P.; Sneyers, L.; Jensen, C. E. M.

    2006-08-01

    In this work, comparative k0-Instrumental Neutron-Activation Analysis was performed by CDTN/CNEN/Brazil and SCK.CEN/Belgium in order to investigate the elemental concentration in samples of the same industrialised and manipulated medicine, a phytotherapic and a polyvitaminic, commonly commercialised in Brazil. The preliminary results from both Institutes are in very good agreement. Any serious contamination with possible risks to human health were found in the medicines compared with the expected values. In the case of polyvitaminic, some impurities, unexpected elements, such as La, Ti and Sm, were found in very low concentration. This first assessment confirmed the effectiveness of the k0-method in analysing such matrices.

  11. Compositional Analysis of Commercial Oligomeric Organophosphorus Flame Retardants Used as Alternatives for PBDEs: Concentrations and Potential Environmental Emissions of Oligomers and Impurities.

    PubMed

    Matsukami, Hidenori; Suzuki, Go; Takigami, Hidetaka

    2015-11-03

    Four commercial oligomeric organophosphorus flame retardants (o-PFRs) were characterized using a refractive index detector and atmospheric pressure photoionization (APPI)-quadrupole time-of-flight mass spectrometry (QTOF-MS) compatible with gel permeation chromatography (GPC). Commercial o-PFRs consisted of approximately 90% or more oligomers and several impurities. Triphenyl phosphate (TPHP), tris(dimethylphenyl) phosphate (TDMPP), tris(2-chloroisopropyl) phosphate (TCIPP), and some new impurities were identified as byproducts of some manufacturing process of commercial o-PFRs for the first time. The concentrations of TPHP, TDMPP, and TCIPP were more than 1 weight %, whereas those of new impurities might be approximately 1 weight % by comparison among their abundances acquired through GPC-APPI-QTOF-MS analysis. Based on their vapor pressure and water solubility estimations, the potential environmental emissions of low molecular weight impurities were expected to be higher than those of oligomers. The presence and environmental emissions of low molecular weight impurities might be regarded as risk factors along with commercial o-PFRs.

  12. An improved liquid chromatographic method for the analysis of tylosin and its impurities.

    PubMed

    Ashenafi, Dunge; Hoogmartens, Jos; Adams, Erwin

    2011-10-01

    A selective reversed-phase (RP) liquid chromatographic (LC) method coupled with UV for the determination of tylosin and its related substances is described. The gradient method uses a Capcell pak C18 ACR column (25 cm×4.6 mm id, 5 μm) maintained at a temperature of 60°C. The mobile phases consist of acetonitrile, phosphate buffer pH 5.5 and water: (A; 27.5:10:62.5 v/v/v) and (B; 50:10:40 v/v/v). The flow rate is 1.0 mL/min and UV detection is performed at 280 nm. It allows the separation of all known and 22 other unknown related substances (≥0.02%) from the main compound and from one another. The method shows good precision, sensitivity, linearity (between 0.2 μg/mL and 1.25 mg/mL) and robustness. The limit of quantification is 0.2 μg/mL, corresponding to 0.020%. Seven bulk tylosin samples containing a large number of impurities were examined using this method.

  13. Light absorption from particulate impurities in snow and ice determined by spectrophotometric analysis of filters

    SciTech Connect

    Grenfell, Thomas C.; Doherty, Sarah J.; Clarke, Antony D.; Warren, Stephen G.

    2011-05-10

    Light absorption by particulate impurities in snow and ice can affect the surface albedo and is important for the climate. The absorption properties of these particles can be determined by collecting and melting snow samples and extracting the particulate material by filtration of the meltwater. This paper describes the optical design and testing of a new instrument to measure the absorption spectrum from 400 to 750 nm wavelength of the particles collected on filters using an ''integrating-sandwich'' configuration. The measured absorption is shown to be unaffected by scattering of light from the deposited particulates. A set of calibration standards is used to derive an upper limit for the concentration of black carbon (BC) in the snow. The wavelength dependence of the absorption spectra from 450 to 600 nm is used to calculate an absorption Angstrom exponent for the aerosol. This exponent is used to estimate the actual BC concentration in the snow samples as well as the relative contributions of BC and non-BC constituents to the absorption of solar radiation integrated over the wavelength band 300 to 750 nm.

  14. Atomistic analysis of the vacancy mechanism of impurity diffusion in silicon

    NASA Astrophysics Data System (ADS)

    List, S.; Ryssel, H.

    1998-06-01

    The complete set of the four macroscopic transport coefficients describing the coupled diffusion of impurity atoms and vacancies in silicon is calculated from the atomistic mechanism by accurately taking into account the effects of the microscopic forces between dopants and vacancies. The aim of these simulations is to come to a decision concerning the validity of models like the pair diffusion model [e.g., M. Yoshida, J. Appl. Phys. 48, 2169 (1977); R. B. Fair and J. C. C. Tsai, J. Electrochem. Soc. 124, 1107 (1977); F. F. Morehead and R. F. Lever, Appl. Phys. Lett. 48, 151 (1986); B. J. Mulvaney and W. B. Richardson, Appl. Phys. Lett. 51, 1439 (1987)] or the "non-Fickian diffusion" model [M. Kurata, Y. Morikawa, K. Nagami, and H. Kuroda, Jpn. J. Appl. Phys. 12, 472 (1973); Y. Morikawa, K. Yamamoto, and K. Nagami, Appl. Phys. Lett. 36, 997 (1980); V. V. Kozlovski, V. N. Lomasov, and L. S. Vlasenko, Radiat. Eff. 106, 37 (1988); O. V. Aleksandrov, V. V. Kozlovski, V. V. Popov, and B. E. Samorukov, Phys. Status Solidi 110, K61 (1988), K. Maser, Exp. Tech. Phys. (Berlin) 34, 213 (1986), K. Maser, Ann. Phys. (Leipzig) 45, 81 (1988), K. Maser, Exp. Tech. Phys. (Berlin) 39, 169 (1991)] that make contradicting predictions for very fundamental properties like the relative direction of the fluxes of dopants and vacancies driven by a vacancy gradient and for the relation α=Td0/Dd0 between two of the four transport coefficients. Simulation results are shown for a variety of assumed interaction potentials that establish a functional dependence between α and measurable quantities, like the factor Dd/Dtracer of enhancement of dopant diffusivity over tracer diffusion, that holds for an arbitrary interaction. The comparison with experimental values for Dd/Dtracer leads to confirmation of the pair diffusion model for boron and phosphorous. For arsenic and antimony, the large scatter of the experimental data prohibits an equally definite conclusion, but at least a qualitative

  15. Characterization of impurities of HIV NNRTI Doravirine by UHPLC-high resolution MS and tandem MS analysis.

    PubMed

    Zhang, Li-Kang; Yang, Ross; Sheng, Huaming; Helmy, Roy; Zheng, Jinjian; Cao, Yang; Gauthier, Donald R

    2016-10-01

    World Health Organization estimates that 34 million individuals globally are living with Human Immunodeficiency Virus (HIV). Doravirine is a non-nucleoside reverse transcriptase inhibitors (NNRTI) being evaluated by Merck for the treatment of HIV-1 infection. Drug regulation authorities require the purity of a pharmaceutical to be fully defined. This is important to ensure that the pharmacological and toxicological effects are truly those of the drug substances and not because of the impurities. Thus, understanding the drug impurity profiles is critical to the safety and potency assessment of the drug candidate for clinical trials. The impurity characterization can also provide useful information for critical assessment of pharmaceutical processes. Advances in mass spectrometry instrumentation and methods allow the identification of impurities in pharmaceuticals with a minimum of sample material and increased sensitivity. In this study, a rapid and sensitive method was developed for the structural determination of the major impurities of doravirine. The study utilizes ultra performance liquid chromatography-high-resolution-tandem mass spectrometry (UHPLC-HRMS/MS) techniques to perform structure elucidation of the unknown structures. This approach has significant impact on impurity structural elucidation, and a total of five trace-level impurities of doravirine were characterized using the developed method. Copyright © 2016 John Wiley & Sons, Ltd.

  16. Comprehensive analysis of host cell impurities in monoclonal antibodies with improved sensitivity by capillary zone electrophoresis mass spectrometry.

    PubMed

    Zhang, Zhenbin; Albanetti, Thomas; Linkous, Travis; Larkin, Christopher J; Schoner, Ronald; McGivney, James B; Dovichi, Norman J

    2017-02-01

    Four methods were compared for analysis of host-cell protein (HCP) impurities in a recombinant mAb. First, CZE-MS/MS was used to analyze the digest of an HCP sample following extraction of the mAb with proteins A and L affinity columns; 220 protein groups and 976 peptides were identified from the depleted HCP digest. Second, a nanoACQUITY UltraPerformance LCH system was also used to analyze the depleted HCP digest; 34 protein groups and 53 peptides from 50 ng of the depleted HCP digest and 290 protein groups and 1011 peptides were identified from 1 μg of the depleted HCP digest. Third, 185 protein groups and 709 peptides were identified by CZE-MS/MS from the HCP digest without depletion. Fourth, a strong cation exchange SPE was coupled to CZE-ESI-MS/MS using online pH gradient elution for analysis of the HCP digest without depletion. A series of five pH bumps were applied to elute peptides from the strong cation exchange monolith followed by analysis using CZE coupled to a Q Exactive HF mass spectrometer; 230 protein groups and 796 peptides were identified from the HCP digest without depletion.

  17. Impurity-induced divertor plasma oscillations

    SciTech Connect

    Smirnov, R. D. Krasheninnikov, S. I.; Pigarov, A. Yu.; Kukushkin, A. S.; Rognlien, T. D.

    2016-01-15

    Two different oscillatory plasma regimes induced by seeding the plasma with high- and low-Z impurities are found for ITER-like divertor plasmas, using computer modeling with the DUSTT/UEDGE and SOLPS4.3 plasma-impurity transport codes. The oscillations are characterized by significant variations of the impurity-radiated power and of the peak heat load on the divertor targets. Qualitative analysis of the divertor plasma oscillations reveals different mechanisms driving the oscillations in the cases of high- and low-Z impurity seeding. The oscillations caused by the high-Z impurities are excited near the X-point by an impurity-related instability of the radiation-condensation type, accompanied by parallel impurity ion transport affected by the thermal and plasma friction forces. The driving mechanism of the oscillations induced by the low-Z impurities is related to the cross-field transport of the impurity atoms, causing alteration between the high and low plasma temperature regimes in the plasma recycling region near the divertor targets. The implications of the impurity-induced plasma oscillations for divertor operation in the next generation tokamaks are also discussed.

  18. Impurity-induced divertor plasma oscillations

    NASA Astrophysics Data System (ADS)

    Smirnov, R. D.; Kukushkin, A. S.; Krasheninnikov, S. I.; Pigarov, A. Yu.; Rognlien, T. D.

    2016-01-01

    Two different oscillatory plasma regimes induced by seeding the plasma with high- and low-Z impurities are found for ITER-like divertor plasmas, using computer modeling with the DUSTT/UEDGE and SOLPS4.3 plasma-impurity transport codes. The oscillations are characterized by significant variations of the impurity-radiated power and of the peak heat load on the divertor targets. Qualitative analysis of the divertor plasma oscillations reveals different mechanisms driving the oscillations in the cases of high- and low-Z impurity seeding. The oscillations caused by the high-Z impurities are excited near the X-point by an impurity-related instability of the radiation-condensation type, accompanied by parallel impurity ion transport affected by the thermal and plasma friction forces. The driving mechanism of the oscillations induced by the low-Z impurities is related to the cross-field transport of the impurity atoms, causing alteration between the high and low plasma temperature regimes in the plasma recycling region near the divertor targets. The implications of the impurity-induced plasma oscillations for divertor operation in the next generation tokamaks are also discussed.

  19. Impurity-induced divertor plasma oscillations

    SciTech Connect

    Smirnov, R. D.; Kukushkin, A. S.; Krasheninnikov, S. I.; Pigarov, A. Yu.; Rognlien, T. D.

    2016-01-07

    Two different oscillatory plasma regimes induced by seeding the plasma with high- and low-Z impurities are found for ITER-like divertor plasmas, using computer modeling with the DUSTT/UEDGE and SOLPS4.3 plasma-impurity transport codes. The oscillations are characterized by significant variations of the impurity-radiated power and of the peak heat load on the divertor targets. Qualitative analysis of the divertor plasma oscillations reveals different mechanisms driving the oscillations in the cases of high- and low-Z impurity seeding. The oscillations caused by the high-Z impurities are excited near the X-point by an impurity-related instability of the radiation-condensation type, accompanied by parallel impurity ion transport affected by the thermal and plasma friction forces. The driving mechanism of the oscillations induced by the low-Z impurities is related to the cross-field transport of the impurity atoms, causing alteration between the high and low plasma temperature regimes in the plasma recycling region near the divertor targets. As a result, the implications of the impurity-induced plasma oscillations for divertor operation in the next generation tokamaks are also discussed.

  20. Impurity-induced divertor plasma oscillations

    DOE PAGES

    Smirnov, R. D.; Kukushkin, A. S.; Krasheninnikov, S. I.; ...

    2016-01-07

    Two different oscillatory plasma regimes induced by seeding the plasma with high- and low-Z impurities are found for ITER-like divertor plasmas, using computer modeling with the DUSTT/UEDGE and SOLPS4.3 plasma-impurity transport codes. The oscillations are characterized by significant variations of the impurity-radiated power and of the peak heat load on the divertor targets. Qualitative analysis of the divertor plasma oscillations reveals different mechanisms driving the oscillations in the cases of high- and low-Z impurity seeding. The oscillations caused by the high-Z impurities are excited near the X-point by an impurity-related instability of the radiation-condensation type, accompanied by parallel impurity ionmore » transport affected by the thermal and plasma friction forces. The driving mechanism of the oscillations induced by the low-Z impurities is related to the cross-field transport of the impurity atoms, causing alteration between the high and low plasma temperature regimes in the plasma recycling region near the divertor targets. As a result, the implications of the impurity-induced plasma oscillations for divertor operation in the next generation tokamaks are also discussed.« less

  1. Elemental Impurities in Pharmaceutical Excipients.

    PubMed

    Li, Gang; Schoneker, Dave; Ulman, Katherine L; Sturm, Jason J; Thackery, Lisa M; Kauffman, John F

    2015-12-01

    Control of elemental impurities in pharmaceutical materials is currently undergoing a transition from control based on concentrations in components of drug products to control based on permitted daily exposures in drug products. Within the pharmaceutical community, there is uncertainty regarding the impact of these changes on manufactures of drug products. This uncertainty is fueled in part by a lack of publically available information on elemental impurity levels in common pharmaceutical excipients. This paper summarizes a recent survey of elemental impurity levels in common pharmaceutical excipients as well as some drug substances. A widely applicable analytical procedure was developed and was shown to be suitable for analysis of elements that are subject to United States Pharmacopoeia Chapter <232> and International Conference on Harmonization's Q3D Guideline on Elemental Impurities. The procedure utilizes microwave-assisted digestion of pharmaceutical materials and inductively coupled plasma mass spectrometry for quantitative analysis of these elements. The procedure was applied to 190 samples from 31 different excipients and 15 samples from eight drug substances provided through the International Pharmaceutical Excipient Council of the Americas. The results of the survey indicate that, for the materials included in the study, relatively low levels of elemental impurities are present.

  2. Determination of certain trace impurities in uranium concentrates by activation analysis.

    PubMed

    Abdel-Rassoul, A A; Wahba, S S; Abdel-Aziz, A

    1966-03-01

    A method is presented for the simultaneous determination of chromium, iron, cobalt and zinc in samples of uranium concentrates, oxides and metallic uranium by neutron-activation analysis. The method involves adequate decontamination of gross fission product activities by adsorption on silica gel, removal of uranium by solvent extraction, separation of most carrier-free rare-earth activities by coprecipitation with aluminium chloride, and, finally, fractional separation of the elements concerned by ion-exchange chromatography. The method can assay ppm of such elements in limited quantities of samples by scintillation gamma-ray spectrometric analysis with a reproducibility of 10-15%.

  3. Comparison of Impurities in Charcoal Sorbents Found by Neutron Activation Analysis

    SciTech Connect

    Doll, Charles G.; Finn, Erin C.; Cantaloub, Michael G.; Greenwood, Lawrence R.; Kephart, Jeremy; Kephart, Rosara F.

    2013-01-01

    Abstract: Neutron activation of gas samples in a reactor often requires a medium to retain sufficient amounts of the gas for analysis. Charcoal is commonly used to adsorb gas and hold it for activation; however, the amount of activated sodium in the charcoal after irradiation swamps most signals of interest. Neutron activation analysis (NAA) was performed on several commonly available charcoal samples in an effort to determine the activation background. The results for several elements, including the dominant sodium element, are reported. It was found that ECN charcoal had the lowest elemental background, containing sodium at 2.65 ± 0.05 ppm, as well as trace levels of copper and tungsten.

  4. Analytical and mineralogical studies of ore and impurities from a chromite mineral using X-ray analysis, electrochemical and microscopy techniques.

    PubMed

    Sánchez-Ramos, S; Doménech-Carbó, A; Gimeno-Adelantado, J V; Peris-Vicente, J

    2008-02-15

    A wide analytical study of South African chromite ore, material with high interest in ceramic industry, has been carried out. With this purpose, an accurate chemical identification and mineralogical characterization of the mineral and the gangue have been performed using X-ray fluorescence (XRF), voltammetry, X-ray diffraction (XRD), light microscopy (LM), and scanning electron microscopy (SEM/EDX). The elemental composition of the sample (ore and gangue) has been obtained by XRF. The voltammetric analysis has allowed to demonstrate that iron in the sample was as Fe(II). The main compound of the chromite ore was a spinel (magnesiochromite ferroan), identified by XRD from the sample, which constitutes the chromite ore. This technique has also been useful to characterize some silicates as impurities in the chromite ore sample. Light microscopy has allowed the detection of the spinel and the identification of a silicate impurity (chrome chlorite), by means of their colouration. On the other hand, the other silicate impurity was identified as labradorite by means of X-ray microscopy by SEM/EDX. Finally, a strategy was developed to calculate the composition of each mineral in the unknown sample. The obtained results were: chromite spinel 82.89%, chlorite 12.79% and labradorite 4.32%.

  5. Matrix and impurity element distributions in CdHgTe (CMT) and (Cd,Zn)(Te,Se) compounds by chemical analysis

    NASA Astrophysics Data System (ADS)

    Capper, P.; O'Keefe, E. S.; Maxey, C.; Dutton, D.; Mackett, P.; Butler, C.; Gale, I.

    1996-04-01

    This review describes several of the main techniques used to determine matrix element distributions and those which can provide a survey of impurity levels and assess deliberate doping concentrations in Cd xHg 1 - xTe and CdTe-based substrate materials. The most widely used method to non-destructively determine x is that of Fourier transform infrared (FTIR) spectrometry and lateral x variations in current bulk, LPE and MOVPE material measured by this technique will be presented. Auger electron spectrometry (AES) has been used on bevelled samples to assess variations in x with depth and interface widths in LPE, MOVPE and MBE layers and examples will be given. Near IR spectrometry is also now being used to monitor the variations in Zn and Se content, in CdZnTe and CdTeSe respectively, and results in this area will be described along with measurements of Zn on the micro-scale using AES. All of these techniques need to be calibrated against an absolute chemical analysis technique and we have used atomic absorption spectrometry (AAS). The latter technique also provides the accurate measure of dopant and impurity elements to standardise other techniques. Secondary ion mass spectrometry (SIMS) is mainly used for the determination of dopant depth distributions while laser scan mass spectrometry (LSMS) has the unique capability of providing a survey of low levels of impurities in thin epitaxial layers. Depth profiles of arsenic and iodine in MOVPE heterostructures, using SIMS, will be given. Impurity surveys, using LSMS, in bulk CMT and substrate materials and in CMT epitaxial layers grown by LPE, MOVPE and MBE will be described. Reported glow discharge mass spectrometry (GDMS) results on substrate materials will be compared to the present results.

  6. Silicon materials task of the low cost solar array project (Phase III). Effects of impurities and processing on silicon solar cells. Phase III summary and seventeenth quarterly report, Volume 2: analysis of impurity behavior

    SciTech Connect

    Hopkins, R.H.; Davis, J.R.; Rohatgi, A.; Campbell, R.B.; Blais, P.D.; Rai-Choudhury, P.; Stapleton, R.E.; Mollenkopf, H.C.; McCormick, J.R.

    1980-01-23

    The object of this phase of the program has been to investigate the effects of various processes, metal contaminants and contaminant-process interactions on the properties of silicon and on the performance of terrestrial silicon solar cells. The study encompassed topics including thermochemical (gettering) treatments, base doping concentration, base doping type (n vs. p), grain boundary-impurity interaction, non-uniformity of impurity distribution, long term effects of impurities, as well as synergic and complexing phenomena. The program approach consists in: (1) the growth of doubly and multiply-doped silicon single crystals containing a baseline boron or phosphorus dopant and specific impurities which produce deep levels in the forbidden band gap; (2) assessment of these crystals by chemical, microstructural, electrical and solar cell tests; (3) correlation of the impurity type and concentration with crystal quality and device performance; and (4) delineation of the role of impurities and processing on subsequent silicon solar cell performance. The overall results reported are based on the assessment of nearly 200 silicon ingots. (WHK)

  7. Potentially mutagenic impurities: analysis of structural classes and carcinogenic potencies of chemical intermediates in pharmaceutical syntheses supports alternative methods to the default TTC for calculating safe levels of impurities.

    PubMed

    Galloway, Sheila M; Vijayaraj Reddy, M; McGettigan, Katherine; Gealy, Robert; Bercu, Joel

    2013-08-01

    Potentially mutagenic impurities in new pharmaceuticals are controlled to levels with negligible risk, the TTC (threshold of toxicological concern, 1.5 μg/day for a lifetime). The TTC was based on the more potent rodent carcinogens, excluding the highly potent "cohort of concern" (COC; for mutagenic carcinogens these are N-nitroso, Aflatoxin-like, and azoxy structures). We compared molecules with DEREK "structural alerts" for mutagenicity used in drug syntheses with the mutagenic carcinogens in the Gold Carcinogenicity Potency Database. Data from 108 diverse synthetic routes from 13 companies confirm that many "alerting" or mutagenic chemicals are in structural classes with lower carcinogenic potency than those used to derive the TTC. Acceptable daily intakes can be established that are higher than the default TTC for many structural classes (e.g., mono-functional alkyl halides and certain aromatic amines). Examples of ADIs for lifetime and shorter-term exposure are given for chemicals of various potencies. The percentage of chemicals with DEREK alerts that proved mutagenic in the Ames test ranged from 36% to 83%, depending on structural class, demonstrating that such SAR analysis to "flag" potential mutagens is conservative. We also note that aromatic azoxy compounds need not be classed as COC, which was based on alkyl azoxy chemicals.

  8. Effects of Sample Impurities on the Analysis of MS2 Bacteriophage by Small-Angle Neutron Scattering

    DTIC Science & Technology

    2005-08-01

    its physical characteristics in solution. The impact of small molecular weight impurities of the resolution of structural data obtained by SANS of the...Lykins et al., 1994).6 In addition, genetically modified forms of MS2 are available for vaccine development and for use as clinical diagnostic tools...samples were transferred to Slide-a Lyzer (Pierce, Rockford, IL) and dialyzed in 500 mL TSM for 24 hr with 2 buffer changes . The measured density of

  9. Control and analysis of alkyl and benzyl halides and other related reactive organohalides as potential genotoxic impurities in active pharmaceutical ingredients (APIs).

    PubMed

    Elder, D P; Lipczynski, A M; Teasdale, A

    2008-11-04

    This paper continues the review of the relevant scientific literature associated with the control and analysis of potential genotoxic impurities (PGIs) in active pharmaceutical ingredients (APIs). The initial review [D.P. Elder, A. Teasdale, A.M. Lipczynski, J. Pharm. Biomed. Anal. 46 (2008) 1-8.] focused on the specific class of sulfonate esters but in this instance reference is made to the analysis of alkyl and benzyl halides and other related reactive organohalide alkylating agents. Such reactive materials are commonly employed in pharmaceutical research and development as raw materials, reagents and intermediates in the chemical synthesis of new drug substances. Consequently a great deal of attention and effort is extended by the innovative and ethical pharmaceutical industry to ensure that appropriate and practicable control strategies are established during drug development to ensure residues of such agents, as potential impurities in new drug substances, are either eliminated or minimized to such an extent so as to not present a significant safety risk to volunteers and patients in clinical trials and beyond. The reliable trace analysis of such reactive organohalides is central to such control strategies and invariably involves a state-of-the-art combination of high-resolution separation science techniques coupled to sensitive and selective modes of detection. This article reports on the most recent developments in the regulatory environment, overall strategies for the control of alkylating agents and the latest developments in analysis culminating in a literature review of analytical approaches. The literature is sub-categorized by separation technique (gas chromatography (GC), high-performance liquid chromatography (HPLC), thin layer chromatography (TLC) and capillary zone electrophoresis (CZE)) and further tabulated by API type and impurity with brief method details and references. As part of this exercise, a selection of relevant pharmacopoeial

  10. A meta-analysis of carbon nanotube pulmonary toxicity studies--how physical dimensions and impurities affect the toxicity of carbon nanotubes.

    PubMed

    Gernand, Jeremy M; Casman, Elizabeth A

    2014-03-01

    This article presents a regression-tree-based meta-analysis of rodent pulmonary toxicity studies of uncoated, nonfunctionalized carbon nanotube (CNT) exposure. The resulting analysis provides quantitative estimates of the contribution of CNT attributes (impurities, physical dimensions, and aggregation) to pulmonary toxicity indicators in bronchoalveolar lavage fluid: neutrophil and macrophage count, and lactate dehydrogenase and total protein concentrations. The method employs classification and regression tree (CART) models, techniques that are relatively insensitive to data defects that impair other types of regression analysis: high dimensionality, nonlinearity, correlated variables, and significant quantities of missing values. Three types of analysis are presented: the RT, the random forest (RF), and a random-forest-based dose-response model. The RT shows the best single model supported by all the data and typically contains a small number of variables. The RF shows how much variance reduction is associated with every variable in the data set. The dose-response model is used to isolate the effects of CNT attributes from the CNT dose, showing the shift in the dose-response caused by the attribute across the measured range of CNT doses. It was found that the CNT attributes that contribute the most to pulmonary toxicity were metallic impurities (cobalt significantly increased observed toxicity, while other impurities had mixed effects), CNT length (negatively correlated with most toxicity indicators), CNT diameter (significantly positively associated with toxicity), and aggregate size (negatively correlated with cell damage indicators and positively correlated with immune response indicators). Increasing CNT N2 -BET-specific surface area decreased toxicity indicators.

  11. HPLC method for simultaneous analysis of ticagrelor and its organic impurities and identification of two major photodegradation products.

    PubMed

    Bueno, Lívia Maronesi; Manoel, Joanna Wittckind; Giordani, Camila Ferrazza Alves; Mendez, Andreas Sebastian Loureiro; Volpato, Nadia Maria; Schapoval, Elfrides Eva Scherman; Steppe, Martin; Garcia, Cássia Virginia

    2017-01-15

    A simple, fast and sensitive analytical method by high-performance liquid chromatography (HPLC) was developed and validated for the simultaneous determination of ticagrelor and two synthesis impurities. The HPLC method was established using an Agilent 1200 Series equipment coupled to photodiode array detector (PDA) at 270nm with a Zorbax Plus C8 column (150×4.6mm, 5.0μm), injection volume of 20μL, and a constant temperature of 25°C. The mobile phase consisted of acetonitrile: ammonium acetate 50mM (57:43, v/v) and pH adjusted to 8.2 with ammonium hydroxide 6M, at a flow rate of 0.7mL/min. No interference peaks from excipients and diluent system indicated the specificity of the method. The calibration curves showed determination coefficients (r(2))>0.99, calculated by linear regression. The limit of quantitation (LOQ) for impurities 1 and 2 were 2.0 and 0.2μg/mL, respectively. Intra and interday relative standard deviations (RSDs) were <2% for ticagrelor and <6% for the impurities, proving the precision of the method. Besides, two mayor degradation products formed when sample solutions of ticagrelor were exposed to UVC radiation were elucidated and the mechanisms involved in the photolytic degradation of ticagrelor were proposed.

  12. Triaxially deformed relativistic point-coupling model for Λ hypernuclei: A quantitative analysis of the hyperon impurity effect on nuclear collective properties

    NASA Astrophysics Data System (ADS)

    Xue, W. X.; Yao, J. M.; Hagino, K.; Li, Z. P.; Mei, H.; Tanimura, Y.

    2015-02-01

    Background: The impurity effect of hyperons on atomic nuclei has received a renewed interest in nuclear physics since the first experimental observation of appreciable reduction of E 2 transition strength in low-lying states of the hypernucleus Λ7Li . Many more data on low-lying states of Λ hypernuclei will be measured soon for s d -shell nuclei, providing good opportunities to study the Λ impurity effect on nuclear low-energy excitations. Purpose: We carry out a quantitative analysis of the Λ hyperon impurity effect on the low-lying states of s d -shell nuclei at the beyond-mean-field level based on a relativistic point-coupling energy density functional (EDF), considering that the Λ hyperon is injected into the lowest positive-parity (Λs) and negative-parity (Λp) states. Method: We adopt a triaxially deformed relativistic mean-field (RMF) approach for hypernuclei and calculate the Λ binding energies of hypernuclei as well as the potential-energy surfaces (PESs) in the (β ,γ ) deformation plane. We also calculate the PESs for the Λ hypernuclei with good quantum numbers by using a microscopic particle rotor model (PRM) with the same relativistic EDF. The triaxially deformed RMF approach is further applied in order to determine the parameters of a five-dimensional collective Hamiltonian (5DCH) for the collective excitations of triaxially deformed core nuclei. Taking 25,27Mg Λ and Si31Λ as examples, we analyze the impurity effects of Λs and Λp on the low-lying states of the core nuclei. Results: We show that Λs increases the excitation energy of the 21+ state and decreases the E 2 transition strength from this state to the ground state by 12 %to17 % . On the other hand, Λp tends to develop pronounced energy minima with larger deformation, although it modifies the collective parameters in such a way that the collectivity of the core nucleus can be either increased or decreased. Conclusions: The quadrupole deformation significantly affects the

  13. Submonolayer epitaxy with impurities

    NASA Astrophysics Data System (ADS)

    Kotrla, Miroslav; Krug, Joachim; Smilauer, Pavel

    2000-03-01

    The effect of impurities on epitaxial growth in the submonolayer regime is studied using kinetic Monte Carlo simulations of a two-species solid-on-solid growth model. Both species are mobile, and attractive interactions among adatoms and between adatoms and impurities are incorporated. Impurities can be codeposited with the growing material or predeposited prior to growth. The activated exchange of impurities and adatoms is identified as the key kinetic process in the formation a growth morphology in which the impurities decorate the island edges. The dependence of the island density N on flux F and coverage θ is studied in detail. The impurities strongly increase the island density without appreciably changing the exponent \\chi in the power law relation N ~ F^\\chi, apart from a saturation of the flux dependence at large F and small θ. Within the present model, even completely decorated island edges do not provide efficient barriers to the attachment of adatoms, and therefore the mechanism for the increase of \\chi proposed by D. Kandel [Phys. Rev. Lett. 78, 499 (1997)] is not operative. A simple analytic theory taking into account only the dependence of the adatom diffusion constant on impurity coverage is shown to provide semi-quantitative agreement with many features observed in the simulations.

  14. A Validated RP-HPLC Method for the Analysis of 1-Fluoronaphthalene and Its Process-Related Impurities.

    PubMed

    Karagiannidou, Evrykleia G; Bekiari, Eleni T; Vastardi, Elli I

    2015-09-01

    A simple and precise reversed-phase high-performance liquid chromatography method was developed and validated for the determination of 1-fluoronaphthalene and its process-related impurities, 1-aminonaphthalene, 1-nitronaphthalene, naphthalene and 2-fluoronaphthalene. 1-Fluoronaphthalene is the key starting material for the synthesis of duloxetine hydrochloride active pharmaceutical ingredient and is therefore a potential impurity of the API. The determination of the impurity profile is critical for the safety assessment of a substance and manufacturing process thereof. In duloxetine hydrochloride active pharmaceutical ingredient, only 1-fluoronaphthalene is detected and neither of its related impurities of 1-aminonaphthalene, 1-nitronaphthalene, naphthalene and 2-fluoronaphthalene. Chromatography was carried out on a Symmetry C18 (250 × 4.6 mm, 5 μm) column, using mobile phase A-a mixture of 0.01 Μ KH2PO4 buffer (pH 2.5 ± 0.1):methanol:acetonitrile in the ratio of 35:52:13 v/v/v and mobile phase B-a mixture of methanol:acetonitrile in the ratio of 80:20 v/v at a flow rate of 1.0 mL/min. The analytes were monitored using photo diode array detector at 230 nm. The proposed method is found to be having linearity in the concentration of 0.075-5.000 μg/mL, 0.150-5.000 μg/mL, 0.3125-5.000 μg/mL and 0.3125-5.000 μg/mL for 1-aminonaphthalene, 1-nitronaphthalene, naphthalene and 2-fluoronaphthalene, respectively, with correlation coefficients of 0.9998, 0.9998, 0.9997 and 0.9997, respectively. The proposed method was validated as per the International Conference on Harmonization guidelines. The mean recoveries for all the studied impurities are in the range of 90-110%. Due to its specificity, high precision and accuracy, the developed method can be used for the determination of 1-fluoronaphthalene, key starting material for the synthesis of duloxetine hydrochloride API.

  15. Impurities in snowpacks.

    PubMed

    Sommerfeld, R A

    1989-04-01

    Snow can be involved in the acquisition, transport, storage and release of atmospheric impurities. Because it can store impurities for periods of time ranging from hours to millenia, it provides a medium for monitoring atmospheric impurities for a wide range of time scales.In most climates, snow is involved in the precipitation process. It can acquire atmospheric impurities either as aerosols or as gases. The aereosols can be included in the body of the snow crystals or adhered to their surfaces. Gases may be included in bubbles, particularly in the case of rime, or adsorbed on the ice surfaces. The amount of ice surface in a small storm is about 10(10) m(2).Snow on the ground can store the impurities acquired in the precipitation process and can acquire additional impurities as dry deposition. The low temperatures and the fact that ice is a solid reduces biological activity and rates of inorganic reactions. However, the assumption that there is no activity in the winter is not well found. Exchange is possible between different layers of the snow and between the snow and the atmosphere, resulting in relocation of gases and aerosols. These processes also insure that the impurities reside on the exterior surfaces of the ice particles that form the snowpack. Biological activity is possible near the ground-snow interface in most climates.The seasonal snowpack releases its impurities when it melts. Because below freezing processes relocate any internal impurities to the ice surfaces within the snowpack, the impurities are available to the first melt water. Pulses of both acidic and alkalinic impurities have been observed with the initial snow melt water. However, the monitoring of such pulses is difficult and the measurements are inconsistent.Impurities are incorporated for longer periods of time in perennial snowpacks and finally in ice fields. These can be glaciers, or, at the largest scale, continental ice sheets. Coring such ice is expensive but provides data on

  16. A differential thermal analysis study of the effect of tramp impurities on the exothermic U sub 3 O sub 8 -Al reactions

    SciTech Connect

    Gray, L.W. ); Peacock, H.B. )

    1989-12-01

    Differential thermal analysis (DTA) has been used to study the effect of impurities on aluminothermic reactions between commercial type 101 aluminum powder and U{sub 3}O{sub 8} powder. No measurable effect (solid state reactions) was found below 660{degrees}C during differential thermal analysis studies of (1) loose blended powders, (2) blended and compressed powders, (3) blended, heated, and compressed powders, or (4) blended, compressed, and heated compacts containing less than 50,000 ppM impurities from group IA halide salts and group IIA oxides. It was determined that impurities (>5 wt %) of alkali metal chlorides, and alkaline earth oxides, cause minor modifications of the reaction thermograms above 800{degrees}C for molten aluminum metal with U{sub 3}O{sub 8}. It was also determined that attempts to prepare alkali, alkaline earth, and transition metal uranates under conditions via reaction below 660{degrees}C. In similar experiments where Fe{sub 2}O{sub 3} and NiO were substituted for U{sub 3}O{sub 8}, it was determined that NaCl does modify the reactions between aluminum metal and Fe{sub 2}O{sub 3} and between aluminum metal and NiO. With increasing NaCl concentrations, the temperature for initiation of the reaction moves to lower temperatures. At 10 wt % NaCl, the exothermic thermite'' reactions between aluminum and Fe{sub 2}O{sub 3} or NiO begin at approximately 640{degrees}C. 30 refs., 17 figs., 7 tabs.

  17. Characterization of the isomeric configuration and impurities of (Z)-endoxifen by 2D NMR, high resolution LC⬜MS, and quantitative HPLC analysis.

    PubMed

    Elkins, Phyllis; Coleman, Donna; Burgess, Jason; Gardner, Michael; Hines, John; Scott, Brendan; Kroenke, Michelle; Larson, Jami; Lightner, Melissa; Turner, Gregory; White, Jonathan; Liu, Paul

    2014-01-01

    (Z)-Endoxifen (4-hydroxy-N-desmethyltamoxifen), an active metabolite generated via actions of CYP3A4/5 and CYP2D6, is a more potent selective estrogen receptor modulator (SERM) than tamoxifen. In the MCF-7 human mammary tumor xenograft model with female athymic mice, (Z)-endoxifen, at an oral dose of 4⬜8 mg/kg, significantly inhibits tumor growth. (Z)-Endoxifen's potential as an alternative therapeutic agent independent of CYP2D6 activities, which can vary widely in ER+ breast cancer patients, is being actively evaluated. This paper describes confirmation of the configuration of the active (Z)-isomer through 2D NMR experiments, including NOE (ROESY) to establish spatial proton⬜proton correlations, and identification of the major impurity as the (E)-isomer in endoxifen drug substance by HPLC/HRMS (HPLC/MS-TOF). Stability of NMR solutions was confirmed by HPLC/UV analysis. For pre-clinical studies, a reverse-phase HPLC⬜UV method, with methanol/water mobile phases containing 10 mM ammonium formate at pH 4.3, was developed and validated for the accurate quantitation and impurity profiling of drug substance and drug product. Validation included demonstration of linearity, method precision, accuracy, and specificity in the presence of impurities, excipients (for the drug product), and degradation products. Ruggedness and reproducibility of the method were confirmed by collaborative studies between two independent laboratories. The method is being applied for quality control of the API and oral drug product. Kinetic parameters of Z- to E-isomerization were also delineated in drug substance and in aqueous formulation, showing conversion at temperatures above 25 °C.

  18. Characterization of the isomeric configuration and impurities of (Z)-endoxifen by 2D NMR, high resolution LC–MS, and quantitative HPLC analysis

    PubMed Central

    Elkins, Phyllis; Coleman, Donna; Burgess, Jason; Gardner, Michael; Hines, John; Scott, Brendan; Kroenke, Michelle; Larson, Jami; Lightner, Melissa; Turner, Gregory; White, Jonathan; Liu, Paul

    2014-01-01

    (Z)-Endoxifen (4-hydroxy-N-desmethyltamoxifen), an active metabolite generated via actions of CYP3A4/5 and CYP2D6, is a more potent selective estrogen receptor modulator (SERM) than tamoxifen. In the MCF-7 human mammary tumor xenograft model with female athymic mice, (Z)-endoxifen, at an oral dose of 4– 8 mg/kg, significantly inhibits tumor growth. (Z)-Endoxifen's potential as an alternative therapeutic agent independent of CYP2D6 activities, which can vary widely in ER+ breast cancer patients, is being actively evaluated. This paper describes confirmation of the configuration of the active (Z)-isomer through 2D NMR experiments, including NOE (ROESY) to establish spatial proton–proton correlations, and identification of the major impurity as the (E)-isomer in endoxifen drug substance by HPLC/HRMS (HPLC/MS-TOF). Stability of NMR solutions was confirmed by HPLC/UV analysis. For pre-clinical studies, a reverse-phase HPLC–UV method, with methanol/water mobile phases containing 10 mM ammonium formate at pH 4.3, was developed and validated for the accurate quantitation and impurity profiling of drug substance and drug product. Validation included demonstration of linearity, method precision, accuracy, and specificity in the presence of impurities, excipients (for the drug product), and degradation products. Ruggedness and reproducibility of the method were confirmed by collaborative studies between two independent laboratories. The method is being applied for quality control of the API and oral drug product. Kinetic parameters of Z- to E-isomerization were also delineated in drug substance and in aqueous formulation, showing conversion at temperatures above 25 °C. PMID:24055701

  19. Nano-XRF Analysis of Metal Impurities Distribution at PL Active Grain Boundaries During mc-Silicon Solar Cell Processing

    SciTech Connect

    Bernardini, Simone; Johnston, Steve; West, Bradley; Naerland, Tine U.; Stuckelberger, Michael; Lai, Barry; Bertoni, Mariana I.

    2017-01-01

    Metal impurities are known to hinder the performance of commercial Si-based solar cells by inducing bulk recombination, increasing leakage current, and causing direct shunting. Recently, a set of photoluminescence (PL) images of neighboring multicrystalline silicon wafers taken from a cell production line at different processing stages has been acquired. Both band-to-band PL and sub-bandgap PL (subPL) images showed various regions with different PL signal intensity. Interestingly, in several of these regions a reversal of the subPL intensity was observed right after the deposition of the antireflective coating. In this paper, we present the results of the synchrotron-based nano-X-ray fluorescence imaging performed in areas characterized by the subPL reversal to evaluate the possible role of metal decoration in this uncommon behavior. Furthermore, the acquisition of a statistically meaningful set of data for samples taken at different stages of the solar cell manufacturing allows us to shine a light on the precipitation and rediffusion mechanisms of metal impurities at these grain boundaries.

  20. Flow injection combined with ICP-MS for accurate high throughput analysis of elemental impurities in pharmaceutical products according to USP <232>/<233>.

    PubMed

    Fischer, Lisa; Zipfel, Barbara; Koellensperger, Gunda; Kovac, Jessica; Bilz, Susanne; Kunkel, Andrea; Venzago, Cornel; Hann, Stephan

    2014-07-01

    New guidelines of the United States Pharmacopeia (USP), European Pharmacopeia (EP) and international organization (ICH, International Conference on Harmonization) regulating elemental impurity limits in pharmaceuticals seal the end of unspecific analysis of metal(oid)s as outlined in USP <231> and EP 2.4.8. Chapter USP <232> and EP 5.20 as well as drafts from ICH Q3D specify both daily doses and concentration limits of metallic impurities in pharmaceutical final products and in active pharmaceutical ingredients (API) and excipients. In chapters USP <233> and EP 2.4.20 method implementation, validation and quality control during the analytical process are described. By contrast with the--by now--applied methods, substance specific quantitative analysis features new basic requirements, further, significantly lower detection limits ask for the necessity of a general changeover of the methodology toward sensitive multi element analysis by ICP-AES and ICP-MS, respectively. A novel methodological approach based on flow injection analysis and ICP-SFMS/ICP-QMS for the quick and accurate analysis of Cd, Pb, As, Hg, Ir, Os, Pd, Pt, Rh, Ru, Cr, Mo, Ni, V, Cu, Mn, Fe and Zn in drug products by prior dilution, dissolution or microwave assisted closed vessel digestion according to the regulations is presented. In comparison to the acquisition of continuous signals, this method is advantageous with respect to the unprecedented high sample throughput due to a total analysis time of approximately 30s and the low sample consumption of below 50 μL, while meeting the strict USP demands on detection/quantification limits, precision and accuracy.

  1. Impurity gettering in semiconductors

    DOEpatents

    Sopori, Bhushan L.

    1995-01-01

    A process for impurity gettering in a semiconductor substrate or device such as a silicon substrate or device. The process comprises hydrogenating the substrate or device at the back side thereof with sufficient intensity and for a time period sufficient to produce a damaged back side. Thereafter, the substrate or device is illuminated with electromagnetic radiation at an intensity and for a time period sufficient to cause the impurities to diffuse to the back side and alloy with a metal there present to form a contact and capture the impurities. The impurity gettering process also can function to simultaneously passivate defects within the substrate or device, with the defects likewise diffusing to the back side for simultaneous passivation. Simultaneously, substantially all hydrogen-induced damage on the back side of the substrate or device is likewise annihilated. Also taught is an alternate process comprising thermal treatment after hydrogenation of the substrate or device at a temperature of from about 500.degree. C. to about 700.degree. C. for a time period sufficient to cause the impurities to diffuse to the damaged back side thereof for subsequent capture by an alloying metal.

  2. Impurity gettering in semiconductors

    DOEpatents

    Sopori, B.L.

    1995-06-20

    A process for impurity gettering in a semiconductor substrate or device such as a silicon substrate or device is disclosed. The process comprises hydrogenating the substrate or device at the back side thereof with sufficient intensity and for a time period sufficient to produce a damaged back side. Thereafter, the substrate or device is illuminated with electromagnetic radiation at an intensity and for a time period sufficient to cause the impurities to diffuse to the back side and alloy with a metal there present to form a contact and capture the impurities. The impurity gettering process also can function to simultaneously passivate defects within the substrate or device, with the defects likewise diffusing to the back side for simultaneous passivation. Simultaneously, substantially all hydrogen-induced damage on the back side of the substrate or device is likewise annihilated. Also taught is an alternate process comprising thermal treatment after hydrogenation of the substrate or device at a temperature of from about 500 C to about 700 C for a time period sufficient to cause the impurities to diffuse to the damaged back side thereof for subsequent capture by an alloying metal. 1 fig.

  3. Determination of the impurities in drug products containing montelukast and in silico/in vitro genotoxicological assessments of sulfoxide impurity.

    PubMed

    Emerce, Esra; Cok, Ismet; Degim, I Tuncer

    2015-10-14

    Impurities affecting safety, efficacy, and quality of pharmaceuticals are of increasing concern for regulatory agencies and pharmaceutical industries, since genotoxic impurities are understood to play important role in carcinogenesis. The study aimed to analyse impurities of montelukast chronically used in asthma theraphy and perform genotoxicological assessment considering regulatory approaches. Impurities (sulfoxide, cis-isomer, Michael adducts-I&II, methylketone, methylstyrene) were quantified using RP-HPLC analysis on commercial products available in Turkish market. For sulfoxide impurity, having no toxicity data and found to be above the qualification limit, in silico mutagenicity prediction analysis, miniaturized bacterial gene mutation test, mitotic index determination and in vitro chromosomal aberration test w/wo metabolic activation system were conducted. In the analysis of different batches of 20 commercial drug products from 11 companies, only sulfoxide impurity exceeded qualification limit in pediatric tablets from 2 companies and in adult tablets from 7 companies. Leadscope and ToxTree programs predicted sulfoxide impurity as nonmutagenic. It was also found to be nonmutagenic in Ames MPF Penta I assay. Sulfoxide impurity was dose-dependent cytotoxic in human peripheral lymphocytes, however, it was found to be nongenotoxic. It was concluded that sulfoxide impurity should be considered as nonmutagenic and can be classified as ordinary impurity according to guidelines.

  4. Effect of impurities and processing on silicon solar cells. Volume 1: Characterization methods for impurities in silicon and impurity effects data base

    NASA Technical Reports Server (NTRS)

    Hopkins, R. H.; Davis, J. R.; Rohatgi, A.; Campbell, R. B.; Blais, P. D.; Rai-Choudhury, P.; Stapleton, R. E.; Mollenkopf, H. C.; Mccormick, J. R.

    1980-01-01

    Two major topics are treated: methods to measure and evaluate impurity effects in silicon and comprehensive tabulations of data derived during the study. Discussions of deep level spectroscopy, detailed dark I-V measurements, recombination lifetime determination, scanned laser photo-response, conventional solar cell I-V techniques, and descriptions of silicon chemical analysis are presented and discussed. The tabulated data include lists of impurity segregation coefficients, ingot impurity analyses and estimated concentrations, typical deep level impurity spectra, photoconductive and open circuit decay lifetimes for individual metal-doped ingots, and a complete tabulation of the cell I-V characteristics of nearly 200 ingots.

  5. Final report on EURAMET.QM-S8: Analysis of impurities in pure and balance gases used to prepare primary standard gas mixtures by the gravimetric method

    NASA Astrophysics Data System (ADS)

    Oudwater, R. J.; van Wijk, J. I. T.; Persijn, S.; Wessel, R. M.; van der Veen, A. M. H.; Mace, T.; Sutour, C.; Couette, J.; Milton, M.; Harling, A.; Vargha, G.; Uprichard, I.; Haerri, H.-P.; Niederhauser, B.; Tuma, D.; Maiwald, M.; Boissière, C.

    2013-01-01

    This supplementary comparison (EURAMET.QM-S8) concerns the purity analysis of nitrogen as used in reference gas mixture preparation. This project was carried out without adding impurities to the gas used for this comparison, and is therefore more representative to evaluate the analysis of carbon monoxide, carbon dioxide, methane, oxygen, argon and water impurities in high-purity nitrogen. The analysis of the amount-of-substance fraction water was optional. Two 50 litre high purity nitrogen cylinders were purchased from a well-qualified supplier of specialty gases. The listed components were expected to be present in the pure nitrogen at the target levels as a result of the purification of the nitrogen. From the start of this comparison it was clear that the comparison may not lead to reference values for the constituents analysed. The results indicate that analyses of high purity gases are often limited by the limits of detection of analytical equipment used. The reports of the participating laboratories also indicate that there is no agreed method of determination of the uncertainty on a detection limit value. The results provide useful information on the performance of participants. For all analysed components there is reasonable agreement in results for LNE, VSL, METAS and NPL. For BAM only the argon result is in agreement. Main text. To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by EURAMET, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

  6. Dynamical impurity problems

    SciTech Connect

    Emery, V.J.; Kivelson, S.A.

    1993-12-31

    In the past few years there has been a resurgence of interest in dynamical impurity problems, as a result of developments in the theory of correlated electron systems. The general dynamical impurity problem is a set of conduction electrons interacting with an impurity which has internal degrees of freedom. The simplest and earliest example, the Kondo problem, has attracted interest since the mid-sixties not only because of its physical importance but also as an example of a model displaying logarithmic divergences order by order in perturbation theory. It provided one of the earliest applications of the renormalization group method, which is designed to deal with just such a situation. As we shall see, the antiferromagnetic Kondo model is controlled by a strong-coupling fixed point, and the essence of the renormalization group solution is to carry out the global renormalization numerically starting from the original (weak-coupling) Hamiltonian. In these lectures, we shall describe an alternative route in which we identify an exactly solvable model which renormalizes to the same fixed point as the original dynamical impurity problem. This approach is akin to determining the critical behavior at a second order phase transition point by solving any model in a given universality class.

  7. A Calibration to Predict the Concentrations of Impurities in Plutonium Oxide by Prompt Gamma Analysis Revision 2

    SciTech Connect

    Narlesky, Joshua Edward; Kelly, Elizabeth J.

    2015-09-10

    This report documents the new PG calibration regression equation. These calibration equations incorporate new data that have become available since revision 1 of “A Calibration to Predict the Concentrations of Impurities in Plutonium Oxide by Prompt Gamma Analysis” was issued [3] The calibration equations are based on a weighted least squares (WLS) approach for the regression. The WLS method gives each data point its proper amount of influence over the parameter estimates. This gives two big advantages, more precise parameter estimates and better and more defensible estimates of uncertainties. The WLS approach makes sense both statistically and experimentally because the variances increase with concentration, and there are physical reasons that the higher measurements are less reliable and should be less influential. The new magnesium calibration includes a correction for sodium and separate calibration equation for items with and without chlorine. These additional calibration equations allow for better predictions and smaller uncertainties for sodium in materials with and without chlorine. Chlorine and sodium have separate equations for RICH materials. Again, these equations give better predictions and smaller uncertainties chlorine and sodium for RICH materials.

  8. Isolation, identification and characterization of novel process-related impurities in flupirtine maleate.

    PubMed

    Zhang, Dengfeng; Song, Xin; Su, Jiangtao

    2014-03-01

    Flupirtine maleate is a centrally acting, non-opioid, nonsteroidal antiinflammatory analgesic. During the manufacturing of flupirtine maleate, two unknown impurities present in the laboratory batches in the range of 0.05-1.0% along with the known impurities in HPLC analysis. These unknown impurities were obtained from the enriched mother liquor by column chromatography. Based on the complete spectral analysis (MS, (1)H, (13)C, 2D NMR and IR) and knowledge of the synthetic scheme of flupirtine maleate, these two new impurities were designated as diethyl 5-((4-fluorobenzyl)amino)-2-oxo-1H-imidazo[4,5-b]pyridine-1,3(2H)-dicarboxylate (impurity-I) and diethyl(6-((4-fluorobenzyl)amino)pyridine-2,3-diyl)dicarbamate (impurity-II). Impurity isolation, identification, structure elucidation and the formation of impurities were also discussed. Preparation and structure elucidation of impurity-III were also first reported in this paper.

  9. Identification, isolation and characterization of process related impurities in ezetimibe.

    PubMed

    Guntupalli, Srikanth; Ray, Uttam Kumar; Murali, N; Gupta, P Badrinadh; Kumar, Vundavilli Jagadeesh; Satheesh, D; Islam, Aminul

    2014-01-01

    During the synthesis of ezetimibe, two process related impurities were detected were HPLC analysis at levels ranging from 0.05 to 0.8%. These two impurities were isolated by column chromatography and co-injected with ezetimibe sample to confirm the retention times in HPLC. These two impurities were characterized as 2-(4-hydroxybenzyl)-N,5-bis(4-fluorophenyl) pentanamide (impurity-I) and 1-(4-fluorophenyl)-3(3-(4-fluorophenyl)propyl)-4-(4-hydroxyphenyl)azetidin-2-one (impurity-II). Isolation, structural elucidation of these impurities by spectral data ((1)H NMR, (13)C NMR, MS and IR) and probable mechanism of their formation have been discussed.

  10. Macromolecule Crystal Quality Improvement in Microgravity: The Role of Impurities

    NASA Technical Reports Server (NTRS)

    Judge, Russell A.; Snell, Edward H.; Pusey, Marc L.; Sportiello, Michael G.; Todd, Paul; Bellamy, Henry; Borgstahl, Gloria E.; Pokros, Matt; Cassanto, John M.

    2000-01-01

    While macromolecule impurities may affect crystal size and morphology the over-riding question is; "How do macromolecule impurities effect crystal X-ray quality and diffraction resolution?" In the case of chicken egg white lysozyme, crystals can be grown in the presence of a number of impurities without affecting diffraction resolution. One impurity however, the lysozyme dimer, does negatively impact the X-ray crystal properties. Crystal quality improvement as a result of better partitioning of this impurity during crystallization in microgravity has been reported'. In our recent experimental work dimer partitioning was found to be not significantly different between the two environments. Mosaicity analysis of pure crystals showed a reduced mosaicity and increased signal to noise for the microgravity grown crystals. Dimer incorporation however, did greatly reduce the resolution limit in both ground and microgravity grown crystals. These results indicate that impurity effects in microgravity are complex and may rely on the conditions or techniques employed.

  11. Proof-of-concept experiment for on-line laser induced breakdown spectroscopy analysis of impurity layer deposited on optical window and other plasma facing components of Aditya tokamak

    SciTech Connect

    Maurya, Gulab Singh; Kumar, Rohit; Rai, Awadhesh Kumar; Kumar, Ajai

    2015-12-15

    In the present manuscript, we demonstrate the design of an experimental setup for on-line laser induced breakdown spectroscopy (LIBS) analysis of impurity layers deposited on specimens of interest for fusion technology, namely, plasma-facing components (PFCs) of a tokamak. For investigation of impurities deposited on PFCs, LIBS spectra of a tokamak wall material like a stainless steel sample (SS304) have been recorded through contaminated and cleaned optical windows. To address the problem of identification of dust and gases present inside the tokamak, we have shown the capability of the apparatus to record LIBS spectra of gases. A new approach known as “back collection method” to record LIBS spectra of impurities deposited on the inner surface of optical window is presented.

  12. Proof-of-concept experiment for on-line laser induced breakdown spectroscopy analysis of impurity layer deposited on optical window and other plasma facing components of Aditya tokamak.

    PubMed

    Maurya, Gulab Singh; Kumar, Rohit; Kumar, Ajai; Rai, Awadhesh Kumar

    2015-12-01

    In the present manuscript, we demonstrate the design of an experimental setup for on-line laser induced breakdown spectroscopy (LIBS) analysis of impurity layers deposited on specimens of interest for fusion technology, namely, plasma-facing components (PFCs) of a tokamak. For investigation of impurities deposited on PFCs, LIBS spectra of a tokamak wall material like a stainless steel sample (SS304) have been recorded through contaminated and cleaned optical windows. To address the problem of identification of dust and gases present inside the tokamak, we have shown the capability of the apparatus to record LIBS spectra of gases. A new approach known as "back collection method" to record LIBS spectra of impurities deposited on the inner surface of optical window is presented.

  13. Sonic spray ionization technology: performance study and application to a LC/MS analysis on a monolithic silica column for heroin impurity profiling.

    PubMed

    Dams, Riet; Benijts, Tom; Günther, Wolfgang; Lambert, Willy; De Leenheer, André

    2002-07-01

    Sonic spray (SS) ionization is a relatively novel atmospheric pressure ionization technique for LC/MS, based on the principle of "spray ionization", which only recently became commercially available. In this paper, we evaluate the performance of this ion source as an interface for LC/MS in comparison with the more traditional and better studied pneumatically assisted electrospray or ion spray (IS). The effect of organic modifiers, volatile acids, and buffer systems in the LC eluent on the ionization efficiency of both interfaces is described and some possible explanations for the observed phenomena are highlighted. We could conclude that the presence of organic solvents gradually increased the ionization efficiency for IS and SS, while volatile acids or buffers gave a significant signal suppression. Furthermore, we present the application of the sonic spray interface to a fast LC/MS analysis, for the simultaneous determination of the seven prime opium alkaloids in heroin impurity profiling. Chromatographic separation is performed in 5 min on a monolithic silica column (Chromolith Performance) with a gradient elution system and an optimized flow of 5 mL/min. By means of a postcolumn split of approximately 1/20, a coupling between the fast LC system and the mass spectrometer is made. The method is validated and successfully applied to the analysis of real-time seized heroin street samples.

  14. Quality by Design approach in the development of hydrophilic interaction liquid chromatographic method for the analysis of iohexol and its impurities.

    PubMed

    Jovanović, Marko; Rakić, Tijana; Tumpa, Anja; Jančić Stojanović, Biljana

    2015-06-10

    This study presents the development of hydrophilic interaction liquid chromatographic method for the analysis of iohexol, its endo-isomer and three impurities following Quality by Design (QbD) approach. The main objective of the method was to identify the conditions where adequate separation quality in minimal analysis duration could be achieved within a robust region that guarantees the stability of method performance. The relationship between critical process parameters (acetonitrile content in the mobile phase, pH of the water phase and ammonium acetate concentration in the water phase) and critical quality attributes is created applying design of experiments methodology. The defined mathematical models and Monte Carlo simulation are used to evaluate the risk of uncertainty in models prediction and incertitude in adjusting the process parameters and to identify the design space. The borders of the design space are experimentally verified and confirmed that the quality of the method is preserved in this region. Moreover, Plackett-Burman design is applied for experimental robustness testing and method is fully validated to verify the adequacy of selected optimal conditions: the analytical column ZIC HILIC (100 mm × 4.6 mm, 5 μm particle size); mobile phase consisted of acetonitrile-water phase (72 mM ammonium acetate, pH adjusted to 6.5 with glacial acetic acid) (86.7:13.3) v/v; column temperature 25 °C, mobile phase flow rate 1 mL min(-1), wavelength of detection 254 nm.

  15. Particle in cell/Monte Carlo collision analysis of the problem of identification of impurities in the gas by the plasma electron spectroscopy method

    NASA Astrophysics Data System (ADS)

    Kusoglu Sarikaya, C.; Rafatov, I.; Kudryavtsev, A. A.

    2016-06-01

    The work deals with the Particle in Cell/Monte Carlo Collision (PIC/MCC) analysis of the problem of detection and identification of impurities in the nonlocal plasma of gas discharge using the Plasma Electron Spectroscopy (PLES) method. For this purpose, 1d3v PIC/MCC code for numerical simulation of glow discharge with nonlocal electron energy distribution function is developed. The elastic, excitation, and ionization collisions between electron-neutral pairs and isotropic scattering and charge exchange collisions between ion-neutral pairs and Penning ionizations are taken into account. Applicability of the numerical code is verified under the Radio-Frequency capacitively coupled discharge conditions. The efficiency of the code is increased by its parallelization using Open Message Passing Interface. As a demonstration of the PLES method, parallel PIC/MCC code is applied to the direct current glow discharge in helium doped with a small amount of argon. Numerical results are consistent with the theoretical analysis of formation of nonlocal EEDF and existing experimental data.

  16. Impurities in nonlinear optical oxide crystals

    NASA Astrophysics Data System (ADS)

    Morris, Patricia A.

    1990-11-01

    Impurities in nonlinear optical oxide crystals can affect many of the properties for device applications. The structures of typical crystals are tolerant with respect to occupancy and are nonstoichiometric on the cation sublattices (e.g. the A sublattice in crystals with the general formula AMO 3). This may, at least in part, be due to the presence of the relatively strong covalent nature of the acentric oxide groups determining the nonlinear optical properties. These circumstances make the incorporation of impurities into the lattice relatively easy and result in large distribution coefficients for many impurities. Generally, little purification during growth will occur with respect to these impurities and therefore, it is usually necessary to purify the starting materials of any unwanted ions. Chemical or powder processing and firing procedures can be used to prevent any contamination of the crystal growth precursors by common impurities (e.g. Si, Al, Fe, Ca, Na, K, Mg, Cl, and S) at a level of <10 parts per million total concentration. A combination of analytical techniques, including those which require little or no sample preparation (e.g. secondary ion mass spectrometry, neutron activation analysis, or laser microprobe mass spectrometry), should be used to determine the impurities present in a material. For example, the effects of protons incorporated (OH -) in the lattice of these crystals can be very detrimental and can be detected using infrared spectroscopy. The growth of many of these crystals requires flux techniques, but the temperature dependence of any nonstoichiometry present and of the distribution coefficients make the use of slow cooling techniques generally not recommended when uniformity of properties is required.

  17. Formation of copper(I) from trace levels of copper(II) as an artifactual impurity in the HPLC analysis of olanzapine.

    PubMed

    Baertschi, Steven W; Olsen, Bernard A; Wozniak, Timothy J; Toltl, Nick; O'Shea, Colette; Jansen, Patrick J

    2016-06-05

    An analytical artifact peak appearing to be an impurity was observed intermittently among several laboratories performing HPLC analyses of olanzapine drug substance and formulation samples. The artifact peak was identified as Cu(I) that was formed from the reaction of trace amounts of Cu(II) with olanzapine in the sample solution. Unlike Cu(II), Cu(I) was retained under the ion-pairing HPLC conditions used for analysis. A reaction mechanism was postulated whereby Cu(II) present in the sample solution oxidizes olanzapine to a radical-cation, resulting in formation of Cu(I) and three oxidation products of olanzapine including a previously unknown oxidation product that was identified as hydroxy-olanzapine. Acetonitrile in the sample solution was necessary for the reaction to occur. As little as 100 ppb Cu(II) in the sample solution produced a Cu(I) peak, that by peak area, corresponded to about 0.1% relative to the olanzapine peak. The hydroxy-olanzapine oxidation product was also detectable, but the relative peak area was much smaller. To prevent formation of the Cu(I) artifact peak, EDTA was added to the sample solvent to complex any trace Cu(II) that might be present. The addition of EDTA was shown to prevent Cu(I) formation when Cu(II) was present at levels of 4ppm in the sample solution.

  18. The effect of secondary impurities on solar cell performance

    NASA Technical Reports Server (NTRS)

    Hill, D. E.; Gutsche, H. W.; Wang, M. S.; Gupta, K. P.; Tucker, W. F.; Dowdy, J. D.; Crepin, R. J.

    1976-01-01

    Czochralski and float zone sigle crystals of silicon were doped with the primary impurities B or P so that a resistivity of 0.5 ohm cm resulted, and in addition doped with certain secondary impurities including Al, C, Cr, Cu, Fe, Mg, Mn, Na, Ni, O, Ti, V, and Zr. The actual presence of these impurities was confirmed by analysis of the crystals. Solar cell performance was evaluated and found to be degraded most significantly by Ti, V, and Zr and to some extent by most of the secondary impurities considered. These results are of significance to the low cost silicon program, since any such process would have to yield at least tolerable levels of these impurities.

  19. Identification of di(ethylhexyl) phthalate as impurity in the analysis by using chromatography gas tandem mass spectrometry

    NASA Astrophysics Data System (ADS)

    Pusfitasari, Eka Dian; Hendarsyah, Hendris; Salahuddin, Ariani, Novita

    2017-01-01

    Di(ethylhexyl) phthalate (DEHP) is a plasticizer commonly used in plastics. Physically DEHP has a low vapor pressure. DEHP can seep into the liquid in direct contact with the plastic wrapping materials, and typically can occur rapidly if extractable into food or non-polar solvents, such as oil, once the food is packaged in PVC packaging materials. DEHP has been analyzed by using gas chromatography which has a high sensitivity level. If the equipment used for the analysis is made from plastic containing DEHP, then it may be possible that DEHP can be extracted and appear on the outcome of the injection. It can interfere with the process of analysis, especially for the analysis of food samples. This study has identified the present of DEHP in the blank injection performed by Gas Chromatography tandem Mass Spectrometry with Selected Ion Monitoring mode (SIM). Researchers are required to verify whether the gas chromatographic system used is ready for the analysis process. In addition, the comparison and calculation of the intensity of the ion fragmentation spectra generated by mass spectrometry detector can be used for the qualitative determination to ensure the presence of the target compound. In this study is also discussed the differences between the high-intensity fragmentation of DEHP and dioctyl phthalate (DOP).

  20. Isolation and structural elucidation of two impurities from a diacerein bulk drug.

    PubMed

    Ashok, Chaudhari; Golak, Maikap; Adwait, Deo; Krishna, Vivek; Himani, Agrawal; Umesh, Peshawe; Amol, Gawande; Srinivas, Sompalli; Sharad, Mane; Deepali, Jadhav; Atul, Chaudhari

    2009-02-20

    Two impurities were found in the crude sample of diacerein. The level of these impurities 1.14% and 1.24% were detected by isocratic reverse-phase high performance liquid chromatography (HPLC). The molecular weights of the impurities were determined by liquid chromatography-mass spectroscopy (LC-MS) analysis. These impurities were isolated from crude sample of diacerein by reverse-phase preparative liquid chromatography. These impurities were characterized as 5-acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid (Impurity-1) and 4-acetoxy-5-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid (Impurity-2) respectively. Structural elucidation of both the impurities were carried out by (1)H NMR, (13)C NMR, DEPT, 1D NOESY, MS and IR spectroscopy.

  1. Impurities in silicon solar cells

    NASA Technical Reports Server (NTRS)

    Hopkins, R. H.

    1985-01-01

    Metallic impurities, both singly and in combinations, affect the performance of silicon solar cells. Czochralski silicon web crystals were grown with controlled additions of secondary impurities. The primary electrical dopants were boron and phosphorus. The silicon test ingots were grown under controlled and carefully monitored conditions from high-purity charge and dopant material to minimize unintentional contamination. Following growth, each crystal was characterized by chemical, microstructural, electrical, and solar cell tests to provide a detailed and internally consistent description of the relationships between silicon impurity concentration and solar cell performance. Deep-level spectroscopy measurements were used to measure impurity concentrations at levels below the detectability of other techniques and to study thermally-induced changes in impurity activity. For the majority of contaminants, impurity-induced performance loss is due to a reduction of the base diffusion length. From these observations, a semi-empirical model which predicts cell performance as a function of metal impurity concentration was formulated. The model was then used successfully to predict the behavior of solar cells bearing as many as 11 different impurities.

  2. Impurities in Kevlar 49 fibers

    SciTech Connect

    Pruneda, C.O.; Morgan, R.J.; Lim, R.; Gregory, L.J.; Fischer, J.W.

    1984-12-11

    The impurities in Kevlar 49 fibers (poly(p-phenylene terephthalamide)PPTA) are reported and discussed in terms of the fiber fabrication processes. These impurities were monitored by inductively coupled plasma emission and optical emission spectroscopy. The principal impurities Na/sub 2/SO/sub 4/ and total S were analyzed chemically. From these chemical analyses together with C, N, H elemental analyses we show that there are 1.5 wt % impurities present in Kevlar 49 fibers of which approx. 50% are in the form of Na/sub 2/SO/sub 4/ and the remainder probably in the form of benzene sulfonic -SO/sub 3/H PPTA side groups. There are 3 of these acid groups per each PPTA macromolecule. Organic impurities, such as terephthalic acid are discussed in the light of degradation studies of PPTA-H/sub 2/SO/sub 4/ spinning dopes. Electron microprobe x-ray spectroscopy and laser-induced damage studies were utilized to investigate the distribution of impurities through the fiber cross-section. The distribution of impurities throughout the fiber are determined by the fiber fabrication processes and are discussed at the microscopic and molecular level. The defects caused by these impurities and their effect on the deformation and failure modes are also considered. 22 references, 3 tables.

  3. Analytical Quality by Design in pharmaceutical quality assurance: Development of a capillary electrophoresis method for the analysis of zolmitriptan and its impurities.

    PubMed

    Orlandini, Serena; Pasquini, Benedetta; Caprini, Claudia; Del Bubba, Massimo; Pinzauti, Sergio; Furlanetto, Sandra

    2015-11-01

    A fast and selective CE method for the determination of zolmitriptan (ZOL) and its five potential impurities has been developed applying the analytical Quality by Design principles. Voltage, temperature, buffer concentration, and pH were investigated as critical process parameters that can influence the critical quality attributes, represented by critical resolution values between peak pairs, analysis time, and peak efficiency of ZOL-dimer. A symmetric screening matrix was employed for investigating the knowledge space, and a Box-Behnken design was used to evaluate the main, interaction, and quadratic effects of the critical process parameters on the critical quality attributes. Contour plots were drawn highlighting important interactions between buffer concentration and pH, and the gained information was merged into the sweet spot plots. Design space (DS) was established by the combined use of response surface methodology and Monte Carlo simulations, introducing a probability concept and thus allowing the quality of the analytical performances to be assured in a defined domain. The working conditions (with the interval defining the DS) were as follows: BGE, 138 mM (115-150 mM) phosphate buffer pH 2.74 (2.54-2.94); temperature, 25°C (24-25°C); voltage, 30 kV. A control strategy was planned based on method robustness and system suitability criteria. The main advantages of applying the Quality by Design concept consisted of a great increase of knowledge of the analytical system, obtained throughout multivariate techniques, and of the achievement of analytical assurance of quality, derived by probability-based definition of DS. The developed method was finally validated and applied to the analysis of ZOL tablets.

  4. An integrated quality by design and mixture-process variable approach in the development of a capillary electrophoresis method for the analysis of almotriptan and its impurities.

    PubMed

    Orlandini, S; Pasquini, B; Stocchero, M; Pinzauti, S; Furlanetto, S

    2014-04-25

    The development of a capillary electrophoresis (CE) method for the assay of almotriptan (ALM) and its main impurities using an integrated Quality by Design and mixture-process variable (MPV) approach is described. A scouting phase was initially carried out by evaluating different CE operative modes, including the addition of pseudostationary phases and additives to the background electrolyte, in order to approach the analytical target profile. This step made it possible to select normal polarity microemulsion electrokinetic chromatography (MEEKC) as operative mode, which allowed a good selectivity to be achieved in a low analysis time. On the basis of a general Ishikawa diagram for MEEKC methods, a screening asymmetric matrix was applied in order to screen the effects of the process variables (PVs) voltage, temperature, buffer concentration and buffer pH, on critical quality attributes (CQAs), represented by critical separation values and analysis time. A response surface study was then carried out considering all the critical process parameters, including both the PVs and the mixture components (MCs) of the microemulsion (borate buffer, n-heptane as oil, sodium dodecyl sulphate/n-butanol as surfactant/cosurfactant). The values of PVs and MCs were simultaneously changed in a MPV study, making it possible to find significant interaction effects. The design space (DS) was defined as the multidimensional combination of PVs and MCs where the probability for the different considered CQAs to be acceptable was higher than a quality level π=90%. DS was identified by risk of failure maps, which were drawn on the basis of Monte-Carlo simulations, and verification points spanning the design space were tested. Robustness testing of the method, performed by a D-optimal design, and system suitability criteria allowed a control strategy to be designed. The optimized method was validated following ICH Guideline Q2(R1) and was applied to a real sample of ALM coated tablets.

  5. A high pH based reversed-phase high performance liquid chromatographic method for the analysis of aminoglycoside plazomicin and its impurities.

    PubMed

    Tan, Li; Wlasichuk, Kenneth B; Schmidt, Donald E; Campbell, Robert L; Hirtzer, Pam; Cheng, Lisa; Karr, Dane E

    2012-07-01

    A reversed-phase high performance liquid chromatographic (RP-HPLC) method has been developed for the aminoglycoside (AG) plazomicin (ACHN-490). This method employed a high pH mobile phase (pH>11) with a gradient of 0.25 M ammonium hydroxide in water and acetonitrile, an XBridge C(18) column and UV detection at 210 nm. Although the molar UV absorption of plazomicin is weak, the high pH conditions of this method allow for higher loadings, which compensates for the inherent low UV sensitivity. Under these high pH conditions, impurities and degradants were base line separated from plazomicin. The mobile phases used for this method allowed for on-line mass detection for the impurities and degradants. The RP-HPLC method has been validated in terms of specificity, linearity and range, accuracy, and precision. The analytical method met specificity requirements of a homogenous peak with no interferences from the blank or from the known impurities in plazomicin. The linearity of the method for the plazomicin impurity determination was excellent, with a coefficient of determination (r(2)) of 0.9993, over the freebase (FB) concentration range of 0.0025-3.0 mg/mL. The method is capable of detecting impurities down to 0.1% of the peak area of plazomicin. A single point standard at a concentration of 1.0 mg/mL FB was validated over the range of 50-150% for quantitation of the freebase content (the assay) in bulk drug substance. The mean recoveries of FB are in the range 98.6-102.0% with a mean RSD (relative standard deviation) <1.0%. The study also examined the method precision for purity, impurities and the assay with two instruments on two different days. The method showed adequate accuracy and precision for the intended use. This high pH method was successfully used to determine the impurity and measure the drug content in the final plazomicin drug substance. In addition, the method with an on-line mass spectrometry detector has been used to characterize the structures of the

  6. Development of liquid chromatographic method for the analysis of dabigatran etexilate mesilate and its ten impurities supported by quality-by-design methodology.

    PubMed

    Pantović, Jasmina; Malenović, Anđelija; Vemić, Ana; Kostić, Nađa; Medenica, Mirjana

    2015-01-01

    In this paper, the development of reversed-phase liquid chromatographic method for the analysis of dabigatran etexilate mesilate and its ten impurities supported by quality by design (QbD) approach is presented. The defined analytical target profile (ATP) was the efficient baseline separation and the accurate determination of the investigated analytes. The selected critical quality attributes (CQAs) were the separation criterions between the critical peak pairs because the mixture complexity imposed a gradient elution mode. The critical process parameters (CPPs) studied in this research were acetonitrile content at the beginning of gradient program, acetonitrile content at the end of gradient program and the gradient time. Plan of experiments was defined by Box-Behnken design. The experimental domains of the three selected factors x1--content of the acetonitrile at the start of linear gradient, x2--content of the acetonitrile at the end of linear gradient and x3--gradient time (tG) were [10%, 30%], [48%, 60%] and [8 min, 15 min], respectively. In order to define the design space (DS) as a zone where the desired quality criteria is met providing also the quality assurance, Monte Carlo simulations were performed. The uniform error distribution equal to the calculated standard error was added to the model coefficient estimates. Monte Carlo simulation included 5000 iterations in each of 3969 defined grid points and the region having the probability π ≥ 95% to achieve satisfactory values of all defined CQAs was computed. As a working point, following chromatographic conditions suited in the middle of the DS were chosen: 22% acetonitrile at the start of gradient program, 55.5% acetonitrile at the end of gradient program end and the gradient time of 11.5 min. The developed method was validated in order to prove its reliability.

  7. Related impurities in peptide medicines.

    PubMed

    D'Hondt, Matthias; Bracke, Nathalie; Taevernier, Lien; Gevaert, Bert; Verbeke, Frederick; Wynendaele, Evelien; De Spiegeleer, Bart

    2014-12-01

    Peptides are an increasingly important group of pharmaceuticals, positioned between classic small organic molecules and larger bio-molecules such as proteins. Currently, the peptide drug market is growing twice as fast as other drug markets, illustrating the increasing clinical as well as economical impact of this medicine group. Most peptides today are manufactured by solid-phase peptide synthesis (SPPS). This review will provide a structured overview of the most commonly observed peptide-related impurities in peptide medicines, encompassing the active pharmaceutical ingredients (API or drug substance) as well as the finished drug products. Not only is control of these peptide-related impurities and degradants critical for the already approved and clinically used peptide-drugs, these impurities also possess the capability of greatly influencing initial functionality studies during early drug discovery phases, possibly resulting in erroneous conclusions. The first group of peptide-related impurities is SPPS-related: deletion and insertion of amino acids are related to inefficient Fmoc-deprotection and excess use of amino acid reagents, respectively. Fmoc-deprotection can cause racemization of amino acid residues and thus diastereomeric impurities. Inefficient deprotection of amino acid side chains results into peptide-protection adducts. Furthermore, unprotected side chains can react with a variety of reagents used in the synthesis. Oxidation of amino acid side chains and dimeric-to-oligomeric impurities were also observed. Unwanted peptide counter ions such as trifluoroacetate, originating from the SPPS itself or from additional purification treatments, may also be present in the final peptide product. Contamination of the desired peptide product by other unrelated peptides was also seen, pointing out the lack of appropriate GMP. The second impurity group results from typical peptide degradation mechanisms such as β-elimination, diketopiperazine, pyroglutamate

  8. Forced degradation and impurity profiling: recent trends in analytical perspectives.

    PubMed

    Jain, Deepti; Basniwal, Pawan Kumar

    2013-12-01

    This review describes an epigrammatic impression of the recent trends in analytical perspectives of degradation and impurities profiling of pharmaceuticals including active pharmaceutical ingredient (API) as well as drug products during 2008-2012. These recent trends in forced degradation and impurity profiling were discussed on the head of year of publication; columns, matrix (API and dosage forms) and type of elution in chromatography (isocratic and gradient); therapeutic categories of the drug which were used for analysis. It focuses distinctly on comprehensive update of various analytical methods including hyphenated techniques for the identification and quantification of thresholds of impurities and degradants in different pharmaceutical matrices.

  9. Mobile impurities in ferromagnetic liquids

    NASA Astrophysics Data System (ADS)

    Kantian, Adrian; Schollwoeck, Ulrich; Giamarchi, Thierry

    2011-03-01

    Recent work has shown that mobile impurities in one dimensional interacting systems may exhibit behaviour that differs strongly from that predicted by standard Tomonaga-Luttinger liquid theory, with the appearance of power-law divergences in the spectral function signifying sublinear diffusion of the impurity. Using time-dependent matrix product states, we investigate a range of cases of mobile impurities in systems beyond the analytically accessible examples to assess the existence of a new universality class of low-energy physics in one-dimensional systems. Correspondence: Adrian.Kantian@unige.ch This work was supported in part by the Swiss SNF under MaNEP and division II.

  10. Trace analysis of impurities in bulk gases by gas chromatography-pulsed discharge helium ionization detection with "heart-cutting" technique.

    PubMed

    Weijun, Yao

    2007-10-12

    A method has been developed for the detection of low-nL/L-level impurities in bulk gases such as H(2), O(2), Ar, N(2), He, methane, ethylene and propylene, respectively. The solution presented here is based upon gas chromatography-pulsed discharge helium ionization detection (GC-PDHID) coupled with three two-position valves, one two-way solenoid valve and four packed columns. During the operation, the moisture and heavy compounds are first back-flushed via a pre-column. Then the trace impurities (except CO(2) which is diverted to a separate analytical column for separation and detection) together with the matrix enter onto a main column, followed by the heart-cut of the impurities onto a longer analytical column for complete separation. Finally the detection is performed by PDHID. This method has been applied to different bulk gases and the applicability of detecting impurities in H(2), Ar, and N(2) are herewith demonstrated. As an example, the resulting detection limit of 100 nL/L and a dynamic range of 100-1000 nL/L have been obtained using an Ar sample containing methane.

  11. Recent trends in the impurity profile of pharmaceuticals

    PubMed Central

    Pilaniya, Kavita; Chandrawanshi, Harish K.; Pilaniya, Urmila; Manchandani, Pooja; Jain, Pratishtha; Singh, Nitin

    2010-01-01

    Various regulatory authorities such as the International Conference on Harmonization (ICH), the United States Food and Drug administration (FDA), and the Canadian Drug and Health Agency (CDHA) are emphasizing on the purity requirements and the identification of impurities in Active Pharmaceutical Ingredients (APIs). The various sources of impurity in pharmaceutical products are — reagents, heavy metals, ligands, catalysts, other materials like filter aids, charcoal, and the like, degraded end products obtained during \\ after manufacturing of bulk drugs from hydrolysis, photolytic cleavage, oxidative degradation, decarboxylation, enantiomeric impurity, and so on. The different pharmacopoeias such as the British Pharmacopoeia, United State Pharmacopoeia, and Indian Pharmacopoeia are slowly incorporating limits to allowable levels of impurities present in APIs or formulations. Various methods are used to isolate and characterize impurities in pharmaceuticals, such as, capillary electrophoresis, electron paramagnetic resonance, gas–liquid chromatography, gravimetric analysis, high performance liquid chromatography, solid-phase extraction methods, liquid–liquid extraction method, Ultraviolet Spectrometry, infrared spectroscopy, supercritical fluid extraction column chromatography, mass spectrometry, Nuclear magnetic resonance (NMR) spectroscopy, and RAMAN spectroscopy. Among all hyphenated techniques, the most exploited techniques for impurity profiling of drugs are Liquid Chromatography (LC)-Mass Spectroscopy (MS), LC-NMR, LC-NMR-MS, GC-MS, and LC-MS. This reveals the need and scope of impurity profiling of drugs in pharmaceutical research. PMID:22247862

  12. Analysis of Impurity Band Formation and Related Effects Near the P/N Junction in Compensated GaAs and Si.

    DTIC Science & Technology

    1986-09-01

    levels are shifted with respect to the edge of the conduction or valence band, forming impurity tands and causing changes in the band gap. In addition...Levels, (d) Densities of States for Conduction Band and Donor Levels, and (e) Densities of States for Acceptor Levels and Valence Band. Each Fig.(page...acceptor state distributions and the density-of-states data for the valence band. The horizontal axis is in this case referred to the edge of

  13. Impurity bubbles in a BEC

    NASA Astrophysics Data System (ADS)

    Timmermans, Eddy; Blinova, Alina; Boshier, Malcolm

    2013-05-01

    Polarons (particles that interact with the self-consistent deformation of the host medium that contains them) self-localize when strongly coupled. Dilute Bose-Einstein condensates (BECs) doped with neutral distinguishable atoms (impurities) and armed with a Feshbach-tuned impurity-boson interaction provide a unique laboratory to study self-localized polarons. In nature, self-localized polarons come in two flavors that exhibit qualitatively different behavior: In lattice systems, the deformation is slight and the particle is accompanied by a cloud of collective excitations as in the case of the Landau-Pekar polarons of electrons in a dielectric lattice. In natural fluids and gases, the strongly coupled particle radically alters the medium, e.g. by expelling the host medium as in the case of the electron bubbles in superfluid helium. We show that BEC-impurities can self-localize in a bubble, as well as in a Landau-Pekar polaron state. The BEC-impurity system is fully characterized by only two dimensionless coupling constants. In the corresponding phase diagram the bubble and Landau-Pekar polaron limits correspond to large islands separated by a cross-over region. The same BEC-impurity species can be adiabatically Feshbach steered from the Landau-Pekar to the bubble regime. This work was funded by the Los Alamos LDRD program.

  14. ALUMINUM IMPURITY DIFFUSION IN MAGNESIUM

    SciTech Connect

    Brennan, Sarah; Warren, Andrew; Coffey, Kevin; Kulkarni, Nagraj S; Todd, Peter J; Sohn, Yong Ho; Klimov, Mikhail

    2012-01-01

    The Al impurity diffusion in polycrystalline Mg (99.9%) via depth profiling with secondary ion mass spectrometry was studied in the temperature range of 673-573K, utilizing the thin film method and thin film solution to the diffusion equation. Multiple samples were utilized and multiple profiles were obtained to determine statistically confident coefficient with maximum standard deviation of 16%. Activation energy and pre-exponential factor of Al impurity diffusion in Mg was determined as 155 kJ/mole and 3.9 x 10-3 m2/sec.

  15. Quantitative impurity analysis of monoclonal antibody size heterogeneity by CE-LIF: example of development and validation through a quality-by-design framework.

    PubMed

    Michels, David A; Parker, Monica; Salas-Solano, Oscar

    2012-03-01

    This paper describes the framework of quality by design applied to the development, optimization and validation of a sensitive capillary electrophoresis-sodium dodecyl sulfate (CE-SDS) assay for monitoring impurities that potentially impact drug efficacy or patient safety produced in the manufacture of therapeutic MAb products. Drug substance or drug product samples are derivatized with fluorogenic 3-(2-furoyl)quinoline-2-carboxaldehyde and nucleophilic cyanide before separation by CE-SDS coupled to LIF detection. Three design-of-experiments enabled critical labeling parameters to meet method requirements for detecting minor impurities while building precision and robustness into the assay during development. The screening design predicted optimal conditions to control labeling artifacts while two full factorial designs demonstrated method robustness through control of temperature and cyanide parameters within the normal operating range. Subsequent validation according to the guidelines of the International Committee of Harmonization showed the CE-SDS/LIF assay was specific, accurate, and precise (RSD ≤ 0.8%) for relative peak distribution and linear (R > 0.997) between the range of 0.5-1.5 mg/mL with LOD and LOQ of 10 ng/mL and 35 ng/mL, respectively. Validation confirmed the system suitability criteria used as a level of control to ensure reliable method performance.

  16. Control of impurities in toroidal plasma devices

    DOEpatents

    Ohkawa, Tihiro

    1980-01-01

    A method and apparatus for plasma impurity control in closed flux plasma systems such as Tokamak reactors is disclosed. Local axisymmetrical injection of hydrogen gas is employed to reverse the normally inward flow of impurities into the plasma.

  17. Fundamental aspects of metallic impurities and impurity interactions in silicon during device processing

    SciTech Connect

    Graff, K.

    1995-08-01

    A review on the behavior of metallic impurities in silicon can be considerably simplified by a restriction on pure, dislocation-free, monocrystalline silicon. In this case interactions between different impurities and between impurities and grown-in lattice defects can be reduced. This restriction is observed in Chapter 1 for discussing the general behavior of metallic impurities in silicon.

  18. [LC-ESI/MS identification and reduction of impurities in spiramycin fermentation].

    PubMed

    Li, You-Yuan; Chen, Chang-Hua; Gu, Yi-Feng; Li, Xiao-Yong

    2005-03-01

    There are several impurities in the spiramycin fermentation broth which leads to a lower yield and lower quality of the product. Four impurities in spiramycin broth have been simultaneously separated and identified by LC-ESI/MS. The generation of these impurities was attributed to the fluctuation of glucosylation in spiramycin biosynthesis. Nitrogen sources, ammonium in particular, were found to play an important role at the glucosylation. Aided with the information of LC-ESI/MS analysis and subsequent optimization of the culture medium, better culture medium of shake flask was designed, which leads to reduction of impurities by 22% - 88%.

  19. Observation of impurity accumulation and concurrent impurity influx in PBX

    SciTech Connect

    Sesnic, S.S.; Fonck, R.J.; Ida, K.; Bol, K.; Couture, P.; Gammel, G.; Kaita, R.; Kaye, S.; Kugel, H.; LeBlanc, B.

    1986-07-01

    Impurity studies in L- and H-mode discharges in PBX have shown that both types of discharges can evolve into either an impurity accumulative or nonaccumulative case. In a typical accumulative discharge, Zeff peaks in the center to values of about 5. The central metallic densities can be high, n/sub met//n/sub e/ approx. = 0.01, resulting in central radiated power densities in excess of 1 W/cm/sup 3/, consistent with bolometric estimates. The radial profiles of metals obtained independently from the line radiation in the soft x-ray and the VUV regions are very peaked. Concurrent with the peaking, an increase in the impurity influx coming from the edge of the plasma is observed. At the beginning of the accumulation phase the inward particle flux for titanium has values of 6 x 10/sup 10/ and 10 x 10/sup 10/ particles/cm/sup 2/s at minor radii of 6 and 17 cm. At the end of the accumulation phase, this particle flux is strongly increased to values of 3 x 10/sup 12/ and 1 x 10/sup 12/ particles/cm/sup 2/s. This increased flux is mainly due to influx from the edge of the plasma and to a lesser extent due to increased convective transport. Using the measured particle flux, an estimate of the diffusion coefficient D and the convective velocity v is obtained.

  20. Assessing the 210At impurity in the production of 211At for radiotherapy by 210Po analysis via isotope dilution alpha spectrometry.

    PubMed

    Schultz, Michael K; Hammond, Michelle; Cessna, Jeffrey T; Plascjak, Paul; Norman, Bruce; Szajek, Lawrence; Garmestani, Kayhan; Zimmerman, Brian E; Unterweger, Michael

    2006-01-01

    A method for assessing the impurity 210At in cyclotron-produced 211At via isotope dilution alpha spectrometry is presented. The activity of 210At is quantified by measuring the activity of daughter nuclide 210Po. Counting sources are prepared by spontaneous deposition of Po on a silver disc. Activity of 210At (at the time of 210Po maximum activity) is found to be 83.5+/-9.0 Bq, corresponding to an atom ratio (210At:211At at the time of distillation) of 0.010+/-0.007% (k=2). The method produces high-quality alpha spectra, with baseline alpha-peak resolution and chemical yields of greater than 85%.

  1. Impurity diffusion in transition-metal oxides

    SciTech Connect

    Peterson, N.L.

    1982-06-01

    Intrinsic tracer impurity diffusion measurements in ceramic oxides have been primarily confined to CoO, NiO, and Fe/sub 3/O/sub 4/. Tracer impurity diffusion in these materials and TiO/sub 2/, together with measurements of the effect of impurities on tracer diffusion (Co in NiO and Cr in CoO), are reviewed and discussed in terms of impurity-defect interactions and mechanisms of diffusion. Divalent impurities in divalent solvents seem to have a weak interaction with vacancies whereas trivalent impurities in divalent solvents strongly influence the vacancy concentrations and significantly reduce solvent jump frequencies near a trivalent impurity. Impurities with small ionic radii diffuse more slowly with a larger activation energy than impurities with larger ionic radii for all systems considered in this review. Cobalt ions (a moderate size impurity) diffuse rapidly along the open channels parallel to the c-axis in TiO/sub 2/ whereas chromium ions (a smaller-sized impurity) do not. 60 references, 11 figures.

  2. Gaseous trace impurity analyzer and method

    DOEpatents

    Edwards, Jr., David; Schneider, William

    1980-01-01

    Simple apparatus for analyzing trace impurities in a gas, such as helium or hydrogen, comprises means for drawing a measured volume of the gas as sample into a heated zone. A segregable portion of the zone is then chilled to condense trace impurities in the gas in the chilled portion. The gas sample is evacuated from the heated zone including the chilled portion. Finally, the chilled portion is warmed to vaporize the condensed impurities in the order of their boiling points. As the temperature of the chilled portion rises, pressure will develop in the evacuated, heated zone by the vaporization of an impurity. The temperature at which the pressure increase occurs identifies that impurity and the pressure increase attained until the vaporization of the next impurity causes a further pressure increase is a measure of the quantity of the preceding impurity.

  3. Self-pumping impurity control

    DOEpatents

    Brooks, J.N.; Mattas, R.F.

    1983-12-21

    It is an object of the present invention to provide an apparatus for removing impurities from the plasma in a fusion reactor without an external vacuum pumping system. It is also an object of the present invention to provide an apparatus for removing the helium ash from a fusion reactor. It is another object of the present invention to provide an apparatus which removes helium ash and minimizes tritium recycling and inventory.

  4. Spectroscopic Measurements of Impurity Spectra on the EAST Tokamak

    NASA Astrophysics Data System (ADS)

    Fu, Jia; Li, Yingying; Shi, Yuejiang; Wang, Fudi; Zhang, Wei; Lv, Bo; Huang, Juan; Wan, Baonian; Zhou, Qian

    2012-12-01

    Ultraviolet (UV) and visible impurity spectra (200~750 nm) are commonly used to study plasma and wall interactions in magnetic fusion plasmas. Two optical multi-channel analysis (OMA) systems have been installed for the UV-visible spectrum measurement on EAST. These two OMA systems are both equipped with the Czerny-Turner (C-T) type spectrometer. The upper vacuum vessel and inner divertor baffle can be viewed simultaneously through two optical lenses. The OMA1 system is mainly used for multi-impurity lines radiation measurement. A 280 nm wavelength range can be covered by a 300 mm focal length spectrometer equipped with a 300 grooves/mm grating. The Dα/Hα line shapes can be resolved by the OMA2 system. The focal length is 750 mm. The spectral resolution can be up to 0.01 nm using a 1800 grooves/mm grating. The impurity behaviour and hydrogen ratio evolution after boroniztion, lithium coating, and siliconization are compared. Lithium coating has shown beneficial effects on the reduction of edge recycling and low Z impurity (C, O) influx. The impurity expelling effect of the divertor configuration is also briefly discussed through multi-channels observation of OMA1 system.

  5. Charge dependence of neoclassical and turbulent transport of light impurities on MAST

    NASA Astrophysics Data System (ADS)

    Henderson, S. S.; Garzotti, L.; Casson, F. J.; Dickinson, D.; O'Mullane, M.; Patel, A.; Roach, C. M.; Summers, H. P.; Tanabe, H.; Valovič, M.; the MAST Team

    2015-09-01

    Carbon and nitrogen impurity transport coefficients are determined from gas puff experiments carried out during repeat L-mode discharges on the Mega-Amp Spherical Tokamak (MAST) and compared against a previous analysis of helium impurity transport on MAST. The impurity density profiles are measured on the low-field side of the plasma, therefore this paper focuses on light impurities where the impact of poloidal asymmetries on impurity transport is predicted to be negligible. A weak screening of carbon and nitrogen is found in the plasma core, whereas the helium density profile is peaked over the entire plasma radius. Both carbon and nitrogen experience a diffusivity of the order of 10 m2s-1 and a strong inward convective velocity of ˜40 m s-1 near the plasma edge, and a region of outward convective velocity at mid-radius. The measured impurity transport coefficients are consistent with neoclassical Banana-Plateau predictions within ρ ≤slant 0.4 . Quasi-linear gyrokinetic predictions of the carbon and helium particle flux at two flux surfaces, ρ =0.6 and ρ =0.7 , suggest that trapped electron modes are responsible for the anomalous impurity transport observed in the outer regions of the plasma. The model, combining neoclassical transport with quasi-linear turbulence, is shown to provide reasonable estimates of the impurity transport coefficients and the impurity charge dependence.

  6. Magnetic impurities on the surface of a topological insulator

    SciTech Connect

    Liu, Qin; Liu, Chao-Xing; Xu, Cenke; Qi, Xiao-Liang; Zhang, Shou-Cheng; /Stanford U., Phys. Dept.

    2010-03-25

    The surface states of a topological insulator are described by an emergent relativistic massless Dirac equation in 2+1 dimensions. In contrast to graphene, there is an odd number of Dirac points, and the electron spin is directly coupled to the momentum. We show that a magnetic impurity opens up a local gap and suppresses the local density of states. Furthermore, the Dirac electronic states mediate an RKKY interaction among the magnetic impurities which is always ferromagnetic, whenever the chemical potential lies near the Dirac point. These effects can be directly measured in STM experiments. We also study the case of quenched disorder through a renormalization group analysis.

  7. Quantitative ion-exchange separation of plutonium from impurities

    SciTech Connect

    Pietri, C.E.; Freeman, B.P.; Weiss, J.R.

    1981-09-01

    The methods used at the New Brunswick Laboratory for the quantitative ion exchange separation of plutonium from impurities prior to plutonium assay are described. Other ion exchange separation procedures for impurity determination and for isotopic abundance measurements are given. The primary technique used consists of sorption of plutonium(IV) in 8N HNO/sub 3/ on Dowex-1 anion exchange resin and elution of the purified plutonium with 0.3N HCl-0.01N HF. Other methods consist of the anion exchange separation of plutonium(IV) in 12N HCl and the cation exchange separation of plutonium(III) in 0.2 N HNO/sub 3/. The application of these procedures to the subsequent assay of plutonium, isotopic analysis, and impurity determination is described.

  8. Local and long-range order of carbon impurities on Fe(100): Analysis of self-organization at a nanometer scale

    NASA Astrophysics Data System (ADS)

    Panaccione, G.; Fujii, J.; Vobornik, I.; Trimarchi, G.; Binggeli, N.; Goldoni, A.; Larciprete, R.; Rossi, G.

    2006-01-01

    Bulk carbon impurities segregate at the Fe(100) surface and, upon thermal annealing, can form metastable surface phases, with local and long-range order, that show peculiar electronic properties. We present a surface science study of C-segregated Fe(100) with scanning tunneling microscopy/spectroscopy (STM/STS), core level spectroscopy, and ab initio calculations of the surface structure. In particular, we investigate a c(32×2) structure, observed for 0.67±0.05 atomic layers of C segregated at the iron surface. This structure is found to be due to self-organized carbon stripes, which form a regular pattern on a nanometer lateral scale and are made of zig-zag chains. The C atoms in the chains lie slightly off center in the fourfold hollow site and are bonded to 5 Fe neighbors. Striking features of this structure are the self-avoiding chains, the passivation effect of the iron surface, and the presence of one-dimensional-like Fe surface states close to the Fermi energy.

  9. Kinetic effects on geodesic acoustic mode from combined collisions and impurities

    SciTech Connect

    Yang, Shangchuan; Xie, Jinlin Liu, Wandong

    2015-04-15

    The dispersion relation for geodesic acoustic mode (GAM) is derived by applying a gyrokinetic model that accounts for the effects from both collisions and impurities. Based on the dispersion relation, an analysis is performed for the non-monotonic behavior of GAM damping versus the characteristic collision rate at various impurity levels. As the effective charge increases, the maximum damping rate is found to shift towards lower collision rates, nearer to the parameter range of a typical tokamak edge plasma. The relative strengths of ion-ion and impurity-induced collision effects, which are illustrated by numerical calculations, are found to be comparable. Impurity-induced collisions help decrease the frequency of GAM, while their effects on the damping rate are non-monotonic, resulting in a weaker total damping in the high collision regime. The results presented suggest considering collision effects as well as impurity effects in GAM analysis.

  10. A Multidisciplinary Investigation to Determine the Structure and Source of Dimeric Impurities in AMG 517 Drug Substance.

    PubMed

    Silva Elipe, Maria Victoria; Tan, Zhixin Jessica; Ronk, Michael; Bostick, Tracy

    2009-01-01

    In the initial scale-up batches of the experimental drug substance AMG 517, a pair of unexpected impurities was observed by HPLC. Analysis of data from initial LC-MS experiments indicated the presence of two dimer-like molecules. One impurity had an additional sulfur atom incorporated into its structure relative to the other impurity. Isolation of the impurities was performed, and further structural elucidation experiments were conducted with high-resolution LC-MS and 2D NMR. The dimeric structures were confirmed, with one of the impurities having an unexpected C-S-C linkage. Based on the synthetic route of AMG 517, it was unlikely that these impurities were generated during the last two steps of the process. Stress studies on the enriched impurities were carried out to further confirm the existence of the C-S-C linkage in the benzothiazole portion of AMG 517. Further investigation revealed that these two dimeric impurities originated from existing impurities in the AMG 517 starting material, N-acetyl benzothiazole. The characterization of these two dimeric impurities allowed for better quality control of new batches of the N-acetyl benzothiazole starting material. As a result, subsequent batches of AMG 517 contained no reportable levels of these two impurities.

  11. Impurity-induced moments in underdoped cuprates

    SciTech Connect

    Khaliullin, G. |; Kilian, R.; Krivenko, S.; Fulde, P.

    1997-11-01

    We examine the effect of a nonmagnetic impurity in a two-dimensional spin liquid in the spin-gap phase, employing a drone-fermion representation of spin-1/2 operators. The properties of the local moment induced in the vicinity of the impurity are investigated and an expression for the nuclear-magnetic-resonance Knight shift is derived, which we compare with experimental results. Introducing a second impurity into the spin liquid an antiferromagnetic interaction between the moments is found when the two impurities are located on different sublattices. The presence of many impurities leads to a screening of this interaction as is shown by means of a coherent-potential approximation. Further, the Kondo screening of an impurity-induced local spin by charge carriers is discussed. {copyright} {ital 1997} {ital The American Physical Society}

  12. Impure placebo is a useless concept.

    PubMed

    Louhiala, Pekka; Hemilä, Harri; Puustinen, Raimo

    2015-08-01

    Placebos are allegedly used widely in general practice. Surveys reporting high level usage, however, have combined two categories, 'pure' and 'impure' placebos. The wide use of placebos is explained by the high level usage of impure placebos. In contrast, the prevalence of the use of pure placebos has been low. Traditional pure placebos are clinically ineffective treatments, whereas impure placebos form an ambiguous group of diverse treatments that are not always ineffective. In this paper, we focus on the impure placebo concept and demonstrate problems related to it. We also show that the common examples of impure placebos are not meaningful from the point of view of clinical practice. We conclude that the impure placebo is a scientifically misleading concept and should not be used in scientific or medical literature. The issues behind the concept, however, deserve serious attention in future research.

  13. Anisotropic inflation from vector impurity

    SciTech Connect

    Kanno, Sugumi; Kimura, Masashi; Soda, Jiro; Yokoyama, Shuichiro E-mail: mkimura@sci.osaka-cu.ac.jp E-mail: shu@a.phys.nagoya-u.ac.jp

    2008-08-15

    We study an inflationary scenario with a vector impurity. We show that the universe undergoes anisotropic inflationary expansion due to a preferred direction determined by the vector. Using the slow roll approximation, we find a formula for determining the anisotropy of the inflationary universe. We discuss possible observable predictions of this scenario. In particular, it is stressed that primordial gravitational waves can be induced from curvature perturbations. Hence, even in low scale inflation, a sizable amount of primordial gravitational waves may be produced during inflation.

  14. Isolation, identification and structure elucidation of two novel process-related impurities of retigabine.

    PubMed

    Zhang, Dengfeng; Song, Xin; Su, Jiangtao

    2014-10-01

    Retigabine was the first neuronal potassium channel opener for the treatment of epilepsy. During the manufacture of retigabine, two unknown impurities were present in laboratory batches in the range of 0.05-0.1% based upon HPLC analysis. These unknown impurities were obtained from the enriched reaction mother liquor by column chromatography. The structure of these process-related impurities were elucidated using FT-IR, (1)H NMR, (13)C NMR, 2D NMR (HSQC, HMBC, NOESY) and MS spectral data. Based on the complete spectral analysis and knowledge of the synthetic route of retigabine, these two new impurities were designated as ethyl 4-fluorobenzyl(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)carbamate (impurity-II) and diethyl 5-((ethoxycarbonyl)(4-fluorobenzyl)amino)-2-oxo-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate (impurity-III). Impurity identification, structure elucidation and the formation of impurities were also discussed.

  15. Interactions of structural defects with metallic impurities in multicrystalline silicon

    SciTech Connect

    McHugo, S.A.; Thompson, A.C.; Hieslmair, H.

    1997-04-01

    Multicrystalline silicon is one of the most promising materials for terrestrial solar cells. It is critical to getter impurities from the material as well as inhibit contamination during growth and processing. Standard processing steps such as, phosphorus in-diffusion for p-n junction formation and aluminum sintering for backside ohmic contact fabrication, intrinsically possess gettering capabilities. These processes have been shown to improve L{sub n} values in regions of multicrystalline silicon with low structural defect densities but not in highly dislocated regions. Recent Deep Level Transient Spectroscopy (DLTS) results indirectly reveal higher concentrations of iron in highly dislocated regions while further work suggests that the release of impurities from structural defects, such as dislocations, is the rate limiting step for gettering in multicrystalline silicon. The work presented here directly demonstrates the relationship between metal impurities, structural defects and solar cell performance in multicrystalline silicon. Edge-defined Film-fed Growth (EFG) multicrystalline silicon in the as-grown state and after full solar cell processing was used in this study. Standard solar cell processing steps were carried out at ASE Americas Inc. Metal impurity concentrations and distributions were determined by use of the x-ray fluorescence microprobe (beamline 10.3.1) at the Advanced Light Source, Lawrence Berkeley National Laboratory. The sample was at atmosphere so only elements with Z greater than silicon could be detected, which includes all metal impurities of interest. Structural defect densities were determined by preferential etching and surface analysis using a Scanning Electron Microscope (SEM) in secondary electron mode. Mapped areas were exactly relocated between the XRF and SEM to allow for direct comparison of impurity and structural defect distributions.

  16. Impurity diagnosis of a KSTAR graphite divertor tile using laser induced breakdown spectroscopy technique

    NASA Astrophysics Data System (ADS)

    Kim, Minju; Cho, Min Sang; Cho, Byoung Ick

    2017-04-01

    Laser induced breakdown spectroscopy (LIBS) has been tested to diagnose impurity elements on a Korea Superconducting Tokamak Advanced Research (KSTAR) divertor tile. Spectral lines of various impurity elements such as iron, chromium, and nickel were detected from the divertor surface. The variation of spectra with consecutive laser pulses demonstrates the potential for depth profiling analysis for the deposited impurity layer. The LIBS plasma parameters have been qualitatively determined from analysis of the relative line intensities and linewidths for each element. The validity of this analysis has been checked with atomic spectral simulations.

  17. Instabilities and bifurcations of nonlinear impurity modes.

    PubMed

    Kevrekidis, Panayotis G; Kivshar, Yuri S; Kovalev, Alexander S

    2003-04-01

    We study the structure and stability of nonlinear impurity modes in the discrete nonlinear Schrödinger equation with a single on-site nonlinear impurity emphasizing the effects of interplay between discreteness, nonlinearity, and disorder. We show how the interaction of a nonlinear localized mode (a discrete soliton or discrete breather) with a repulsive impurity generates a family of stationary states near the impurity site, as well as examine both theoretical and numerical criteria for the transition between different localized states via a cascade of bifurcations.

  18. Method for detecting trace impurities in gases

    DOEpatents

    Freund, Samuel M.; Maier, II, William B.; Holland, Redus F.; Beattie, Willard H.

    1981-01-01

    A technique for considerably improving the sensitivity and specificity of infrared spectrometry as applied to quantitative determination of trace impurities in various carrier or solvent gases is presented. A gas to be examined for impurities is liquefied and infrared absorption spectra of the liquid are obtained. Spectral simplification and number densities of impurities in the optical path are substantially higher than are obtainable in similar gas-phase analyses. Carbon dioxide impurity (.about.2 ppm) present in commercial Xe and ppm levels of Freon 12 and vinyl chloride added to liquefied air are used to illustrate the method.

  19. Method for detecting trace impurities in gases

    DOEpatents

    Freund, S.M.; Maier, W.B. II; Holland, R.F.; Beattie, W.H.

    A technique for considerably improving the sensitivity and specificity of infrared spectrometry as applied to quantitative determination of trace impurities in various carrier or solvent gases is presented. A gas to be examined for impurities is liquefied and infrared absorption spectra of the liquid are obtained. Spectral simplification and number densities of impurities in the optical path are substantially higher than are obtainable in similar gas-phase analyses. Carbon dioxide impurity (approx. 2 ppM) present in commercial Xe and ppM levels of Freon 12 and vinyl chloride added to liquefied air are used to illustrate the method.

  20. Detection of Carbon Nanotubes in Indoor Workplaces Using Elemental Impurities.

    PubMed

    Rasmussen, Pat E; Avramescu, Mary-Luyza; Jayawardene, Innocent; Gardner, H David

    2015-11-03

    This study investigated three area sampling approaches for using metal impurities in carbon nanotubes (CNTs) to identify CNT releases in workplace environments: air concentrations (μg/m3), surface loadings (μg/cm2), and passive deposition rates (μg/m2/h). Correlations between metal impurities and CNTs were evaluated by collecting simultaneous colocated area samples for thermal-optical analysis (for CNTs) and ICP-MS analysis (for metals) in a CNT manufacturing facility. CNTs correlated strongly with Co (residual catalyst) and Ni (impurity) in floor surface loadings, and with Co in passive deposition samples. Interpretation of elemental ratios (Co/Fe) assisted in distinguishing among CNT and non-CNT sources of contamination. Stable isotopes of Pb impurities were useful for identifying aerosolized CNTs in the workplace environment of a downstream user, as CNTs from different manufacturers each had distinctive Pb isotope signatures. Pb isotopes were not useful for identifying CNT releases within a CNT manufacturing environment, however, because the CNT signature reflected the indoor background signature. CNT manufacturing companies and downstream users of CNTs will benefit from the availability of alternative and complementary strategies for identifying the presence/absence of CNTs in the workplace and for monitoring the effectiveness of control measures.

  1. Impurity transport driven by fishbones in MAST

    NASA Astrophysics Data System (ADS)

    Cecconello, M.; Jones, O. M.; Garzotti, L.; McClements, K. G.; Carr, M.; Henderson, S. S.; Sharapov, S. E.; Klimek, I.; the MAST Team

    2015-03-01

    In MAST, bursting toroidal Alfvén eigenmodes and fishbones are observed to give rise to an asymmetric perturbation to the soft x-ray (SXR) emission close to the magnetic axis which grows and decays on the time scale of the fishbone evolution. As the fishbone nears its maximum amplitude, the SXR emission starts to increase (decrease) at radial positions smaller (larger) than the radial position of the magnetic axis. This trend in the SXR emission persists for a few milliseconds, until the fishbone starts to decay in amplitude and the slower overall trend of the SXR emission once again becomes dominant. A preliminary analysis suggests that the change in the SXR emission is due to the localized accumulation of high-Z impurities, sustained against parallel transport by the effects of fishbones on the fast ion population.

  2. Identification and characterization of potential impurities in raloxifene hydrochloride.

    PubMed

    Reddy, Reguri Buchi; Goud, Thirumani Venkateshwar; Nagamani, Nagabushanam; Kumar, Nutakki Pavan; Alagudurai, Anandan; Murugan, Raman; Parthasarathy, Kannabiran; Karthikeyan, Vinayagam; Balaji, Perumal

    2012-01-01

    During the synthesis of the bulk drug Raloxifene hydrochloride, eight impurities were observed, four of which were found to be new. All of the impurities were detected using the gradient high performance liquid chromatographic (HPLC) method, whose area percentages ranged from 0.05 to 0.1%. LCMS was performed to identify the mass number of these impurities, and a systematic study was carried out to characterize them. These impurities were synthesized and characterized by spectral data, subjected to co-injection in HPLC, and were found to be matching with the impurities present in the sample. Based on their spectral data (IR, NMR, and Mass), these impurities were characterized as Raloxifene-N-Oxide [Impurity: 1]; EP impurity A [Impurity: 2]; EP impurity B [Impurity: 3]; Raloxifene Dimer [Impurity: 4]; HABT (6-Acetoxy-2-[4-hydroxyphenyl]-1-benzothiophene or 6-Hydroxy-2-[4-acetoxyphenyl]-1-benzothiophene) [Impurity: 5]; PEBE (Methyl[4-[2-(piperidin-1-yl)ethoxy

  3. Spectroscopic characterization and quantitative determination of atorvastatin calcium impurities by novel HPLC method

    NASA Astrophysics Data System (ADS)

    Gupta, Lokesh Kumar

    2012-11-01

    Seven process related impurities were identified by LC-MS in the atorvastatin calcium drug substance. These impurities were identified by LC-MS. The structure of impurities was confirmed by modern spectroscopic techniques like 1H NMR and IR and physicochemical studies conducted by using synthesized authentic reference compounds. The synthesized reference samples of the impurity compounds were used for the quantitative HPLC determination. These impurities were detected by newly developed gradient, reverse phase high performance liquid chromatographic (HPLC) method. The system suitability of HPLC analysis established the validity of the separation. The analytical method was validated according to International Conference of Harmonization (ICH) with respect to specificity, precision, accuracy, linearity, robustness and stability of analytical solutions to demonstrate the power of newly developed HPLC method.

  4. Spectroscopic characterization and quantitative determination of atorvastatin calcium impurities by novel HPLC method.

    PubMed

    Gupta, Lokesh Kumar

    2012-11-01

    Seven process related impurities were identified by LC-MS in the atorvastatin calcium drug substance. These impurities were identified by LC-MS. The structure of impurities was confirmed by modern spectroscopic techniques like (1)H NMR and IR and physicochemical studies conducted by using synthesized authentic reference compounds. The synthesized reference samples of the impurity compounds were used for the quantitative HPLC determination. These impurities were detected by newly developed gradient, reverse phase high performance liquid chromatographic (HPLC) method. The system suitability of HPLC analysis established the validity of the separation. The analytical method was validated according to International Conference of Harmonization (ICH) with respect to specificity, precision, accuracy, linearity, robustness and stability of analytical solutions to demonstrate the power of newly developed HPLC method.

  5. Semi-preparative LC-SPE-cryoflow NMR for impurity identifications: use of mother liquor as a better source of impurities.

    PubMed

    Rinaldi, Frank; Fan, Junying; Pathirana, Charles; Palaniswamy, Venkatapurim

    2013-09-01

    Unambiguous structural elucidation of active pharmaceutical ingredients (API) impurities is a particularly challenging necessity of pharmaceutical development, particularly if the impurities are low level (0.1% level). In many cases, this requires acquiring high-quality NMR data on a pure sample of each impurity. High-quality, high signal-to-noise (S/N) one- and two-dimensional NMR data can be obtained using liquid chromatography-solid phase extraction-cryoflow NMR (LC-SPE-cryoflow NMR) with a combination of semi-preparative column for separation and mother liquor as a source of concentrated impurities. These NMR data, in conjunction with mass spectrometry data, allowed for quick and unambiguous structural elucidations of four impurities found at low level in the crystallized API but found at appreciable levels in the mother liquor that was used as the source for these impurities. These data show that semi-preparative columns can be used at lower than ideal flow rates to facilitate trapping of HPLC components for LC-SPE-cryoflow NMR analysis without compromising chromatographic resolution. Also, despite the complex chromatography encountered with the use of mother liquor as a source of impurities, acceptably pure analytes were obtained for acquiring NMR data for unambiguous structure elucidations.

  6. Non-perturbative study of impurity effects on the Kubo conductivity in macroscopic periodic and quasiperiodic lattices

    NASA Astrophysics Data System (ADS)

    Sánchez, Vicenta; Ramírez, Carlos; Sánchez, Fernando; Wang, Chumin

    2014-09-01

    In this paper, we analyze the effects of site and bond impurities on the electrical conductance of periodic and quasiperiodic systems with macroscopic length by means of a real-space renormalization plus a convolution method developed for the Kubo-Greenwood formula. All analyzed systems are connected to semi-infinite periodic leads. Analytical and numerical conductivity spectra are obtained for one and two site impurities in a periodic chain, where the separation between impurities determines the number of maximums in the spectra. We also found transparent states at the zero chemical potential in Fibonacci chains of every three generations with bond impurities, whose existence was confirmed by an analytical analysis within the Landauer formalism. For many impurities, the spectral average of the conductivity versus the system length reveals a power-law behavior, when the distance between impurities follows the Fibonacci sequence. Finally, we present an analysis of the conductance spectra of segmented periodic and Fibonacci chains and nanowires.

  7. Highly efficient, selective, sensitive and stability indicating RP-HPLC-UV method for the quantitative determination of potential impurities and characterization of four novel impurities in eslicarbazepine acetate active pharmaceutical ingredient by LC/ESI-IT/MS/MS.

    PubMed

    Thomas, Saji; Bharti, Amber; Maddhesia, Pawan Kumar; Shandilya, Sanjeev; Agarwal, Ashutosh; Dharamvir; Biswas, Sujay; Bhansal, Vikas; Gupta, Ashish Kumar; Tewari, Praveen Kumar; Mathela, Chandra S

    2012-03-05

    A novel, sensitive, selective and stability indicating LC-UV method was developed for the determination of potential impurities of eslicarbazepine acetate. High performance liquid chromatographic investigation of eslicarbazepine acetate laboratory sample revealed the presence of several impurities. Three impurities were characterized rapidly and four impurities were found to be unknown. The unknown impurities were identified by liquid chromatography coupled with electrospray ionization, ion trap mass spectrometry (LC/ESI-IT/MS/MS). Structural confirmation of these impurities was unambiguously carried out by synthesis followed by characterization using nuclear magnetic resonance spectroscopy (NMR), infrared spectroscopy (FT-IR) and mass spectrometry (MS). Based on the spectroscopic, spectrometric and elemental analysis data unknown impurities were characterized as 5-acetyl-5,11-dihydro-10H-dibenzo [b,f]azepin-10-one, N-acetyl-5H-dibenzo[b,f]azepine-5-carboxamide, 5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate and 5-acetyl-5H-dibenzo[b,f]azepin-10-yl acetate. The newly developed LC-UV method was validated according to ICH guidelines considering eleven potential impurities and four new impurities to demonstrate specificity, precision, linearity, accuracy and stability indicating nature of the method. The newly developed method was found to be highly efficient, selective, sensitive and stability indicating. A plausible pathway for the formation of four new impurities is proposed.

  8. Eliminating Impurity Traps in the Silane Process

    NASA Technical Reports Server (NTRS)

    Coleman, L. M.

    1982-01-01

    Redistribution reaction section of silane process progressively separates heavier parts of chlorosilane feedstock until light silane product is available for pyrolysis. Small amount of liquid containing impurities is withdrawn from processing stages in which trapping occurs and passed to earlier processing stage in which impurities tend to be removed via chemical reactions.

  9. Impurities Removal in Seawater to Optimize the Magnesium Extraction

    NASA Astrophysics Data System (ADS)

    Natasha, N. C.; Firdiyono, F.; Sulistiyono, E.

    2017-02-01

    Magnesium extraction from seawater is promising way because magnesium is the second abundant element in seawater and Indonesia has the second longest coastline in the world. To optimize the magnesium extraction, the impurities in seawater need to be eliminated. Evaporation and dissolving process were used in this research to remove the impurities especially calcium in seawater. Seawater which has been evaporated from 100 ml to 50 ml was dissolved with variations solution such as oxalic acid and ammonium bicarbonate. The solution concentration is 100 g/l and it variations are 2 ml, 4 ml, 6 ml, 8 ml, 10 ml, 20 ml, 30 ml, 40 ml and 50 ml. This step will produce precipitate and filtrate then it will be analysed to find out the result of this process. The precipitate was analysed by X-ray Diffraction (XRD) and Scanning Electron Microscope (SEM) but the filtrate was analysed by Inductively Coupled Plasma (ICP). XRD analysis shows that calcium oxalate and calcium carbonate were formed and ICP analysis shows that the remaining calcium in seawater using oxalic acid is about 0.01% and sodium 0.14% but when using ammonium bicarbonate the remaining calcium is 2.5% and sodium still more than 90%. The results show that both oxalic acid and ammonium bicarbonate can remove the impurities but when using oxalic acid, not only the impurities but also magnesium was precipitated. The conclusion of this research is the best solution to remove the impurities in seawater without precipitate the magnesium is using ammonium bicarbonate.

  10. Plasma Interactions with Mixed Materials and Impurity Transport

    SciTech Connect

    Rognlien, T. D.; Beiersdorfer, Peter; Chernov, A.; Frolov, T.; Magee, E.; Rudd, R.; Umansky, M.

    2016-10-28

    The project brings together three discipline areas at LLNL to develop advanced capability to predict the impact of plasma/material interactions (PMI) on metallic surfaces in magnetic fusion energy (MFE) devices. These areas are (1) modeling transport of wall impurity ions through the edge plasma to the core plasma, (2) construction of a laser blow-off (LBO) system for injecting precise amounts of metallic atoms into a tokamak plasma, and (3) material science analysis of fundamental processes that modify metallic surfaces during plasma bombardment. The focus is on tungsten (W), which is being used for the ITER divertor and in designs of future MFE devices. In area (1), we have worked with the University of California, San Diego (UCSD) on applications of the UEDGE/DUSTT coupled codes to predict the influx of impurity ions from W dust through the edge plasma, including periodic edge-plasma oscillations, and revived a parallel version of UEDGE to speed up these simulations. In addition, the impurity transport model in the 2D UEDGE code has been implemented into the 3D BOUT++ turbulence/transport code to allow fundamental analysis of the impact of strong plasma turbulence on the impurity transport. In area (2), construction and testing of the LBO injection system has been completed. The original plan to install the LBO on the National Spherical Torus Experiment Upgrade (NSTX-U) at Princeton and its use to validate the impurity transport simulations is delayed owing to NSTX-U being offline for substantial magnetic coil repair period. In area (3), an analytic model has been developed to explain the growth of W tendrils (or fuzz) observed for helium-containing plasmas. Molecular dynamics calculations of W sputtering by W and deuterium (D) ions shows that a spatial blending of interatomic potentials is needed to describe the near-surface and deeper regions of the material.

  11. The Influence of Impurities on the Zinc Fixed Point

    NASA Astrophysics Data System (ADS)

    Rudtsch, Steffen; Aulich, Antje

    2017-02-01

    Impurities are considered to be the most significant source of uncertainty for the realization of the International Temperature Scale of 1990 by means of metal fixed points. The determination and further reduction in this uncertainty require a traceable chemical analysis of dissolved impurities in the fixed-point metal and accurate knowledge of the specific temperature change caused by impurities (slope of the liquidus line). We determined the slope of the liquidus line for three binary systems and present results and conclusions from the chemical analysis of zinc with a nominal purity of 7N. For the Fe-Zn system, we determined a liquidus slope of (-0.91± 0.14) mK / (μ g{\\cdot } g^{-1}) from the evaluation of freezing plateaus and (-0.76 ± 0.20) mK / (μ g{\\cdot } g^{-1}) from the evaluation of melting plateaus; for the Pb-Zn system, the corresponding results are (-0.27 ± 0.05) mK / (μ g{\\cdot } g^{-1}) and (-0.26 ± 0.05) mK / (μ g{\\cdot } g^{-1}). Although for the Sb-Zn system, we determined a liquidus slope of about -0.8 mK / (μ g{\\cdot } g^{-1}), our investigations showed that a correction of the influence of antimony is highly questionable because antimony can be found in zinc in a fully dissolved state or precipitated as an insoluble compound. Iron is the only impurity where a correction of the fixed-point temperature was possible. For the realization of the zinc fixed point at PTB, this correction is between 2 μ K and 16 μ K depending on the batch of zinc used. The influence of the sum of all impurities was estimated by means of the OME method. The resulting uncertainty contribution is between 12 μK and 48 μK.

  12. Analytical control of process impurities in Pazopanib hydrochloride by impurity fate mapping.

    PubMed

    Li, Yan; Liu, David Q; Yang, Shawn; Sudini, Ravinder; McGuire, Michael A; Bhanushali, Dharmesh S; Kord, Alireza S

    2010-08-01

    Understanding the origin and fate of organic impurities within the manufacturing process along with a good control strategy is an integral part of the quality control of drug substance. Following the underlying principles of quality by design (QbD), a systematic approach to analytical control of process impurities by impurity fate mapping (IFM) has been developed and applied to the investigation and control of impurities in the manufacturing process of Pazopanib hydrochloride, an anticancer drug approved recently by the U.S. FDA. This approach requires an aggressive chemical and analytical search for potential impurities in the starting materials, intermediates and drug substance, and experimental studies to track their fate through the manufacturing process in order to understand the process capability for rejecting such impurities. Comprehensive IFM can provide elements of control strategies for impurities. This paper highlights the critical roles that analytical sciences play in the IFM process and impurity control. The application of various analytical techniques (HPLC, LC-MS, NMR, etc.) and development of sensitive and selective methods for impurity detection, identification, separation and quantification are highlighted with illustrative examples. As an essential part of the entire control strategy for Pazopanib hydrochloride, analytical control of impurities with 'meaningful' specifications and the 'right' analytical methods is addressed. In particular, IFM provides scientific justification that can allow for control of process impurities up-stream at the starting materials or intermediates whenever possible.

  13. Evolution of impurity incorporation during ammonothermal growth of GaN

    NASA Astrophysics Data System (ADS)

    Sintonen, Sakari; Wahl, Stefanie; Richter, Susanne; Meyer, Sylke; Suihkonen, Sami; Schulz, Tobias; Irmscher, Klaus; Danilewsky, Andreas N.; Tuomi, Turkka O.; Stankiewicz, Romuald; Albrecht, Martin

    2016-12-01

    Ammonothermally grown GaN is a promising substrate for high-power optoelectronics and electronics thanks to its scalability and high structural perfection. Despite extensive research, ammonothermal GaN still suffers from significant concentrations of impurities. This article discusses the evolution of impurity incorporation during growth of basic ammonothermal GaN, in specific whether the impurity concentration changes temporally along the growth direction and how the autoclave influences the impurity concentration. The effect of the impurities on the structural, electrical and optical properties of the grown crystal is also discussed. The chemical analysis is carried out by time of flight secondary ion mass spectroscopy (ToF-SIMS) and laser-ablation inductively-coupled plasma mass spectroscopy (LA-ICP-MS). Strain and dislocation generation caused by impurity concentration gradients and steps are studied by synchrotron radiation x-ray topography (SR-XRT). Fourier transform infrared (FTIR) reflectivity is used to determine the effect of the impurities on the free carrier concentration, and the luminescent properties are studied by low temperature photoluminescence (PL). The influence of the autoclave is studied by growing a single boule in multiple steps in several autoclaves. LA-ICP-MS and ToF-SIMS ion intensities indicate that the impurity concentrations of several species vary between different autoclaves by over an order of magnitude. SR-XRT measurements reveal strain at the growth interfaces due to impurity concentration gradients and steps. Oxygen is determined to be the most abundant impurity species, resulting in a high free carrier concentration, as determined by FTIR. The large variation in Mn concentration dramatically affects PL intensity.

  14. Light-absorbing impurities in Arctic snow

    NASA Astrophysics Data System (ADS)

    Doherty, S. J.; Warren, S. G.; Grenfell, T. C.; Clarke, A. D.; Brandt, R. E.

    2010-08-01

    Absorption of radiation by ice is extremely weak at visible and near-ultraviolet wavelengths, so small amounts of light-absorbing impurities in snow can dominate the absorption of solar radiation at these wavelengths, reducing the albedo relative to that of pure snow, contributing to the surface energy budget and leading to earlier snowmelt. In this study Arctic snow is surveyed for its content of light-absorbing impurities, expanding and updating the 1983-1984 survey of Clarke and Noone. Samples were collected in Alaska, Canada, Greenland, Svalbard, Norway, Russia, and the Arctic Ocean during 2005-2009, on tundra, glaciers, ice caps, sea ice, frozen lakes, and in boreal forests. Snow was collected mostly in spring, when the entire winter snowpack is accessible for sampling. Sampling was carried out in summer on the Greenland ice sheet and on the Arctic Ocean, of melting glacier snow and sea ice as well as cold snow. About 1200 snow samples have been analyzed for this study. The snow is melted and filtered; the filters are analyzed in a specially designed spectrophotometer system to infer the concentration of black carbon (BC), the fraction of absorption due to non-BC light-absorbing constituents and the absorption Ångstrom exponent of all particles. The reduction of snow albedo is primarily due to BC, but other impurities, principally brown (organic) carbon, are typically responsible for ~40% of the visible and ultraviolet absorption. The meltwater from selected snow samples was saved for chemical analysis to identify sources of the impurities. Median BC amounts in surface snow are as follows (nanograms of carbon per gram of snow): Greenland 3, Arctic Ocean snow 7, melting sea ice 8, Arctic Canada 8, Subarctic Canada 14, Svalbard 13, Northern Norway 21, Western Arctic Russia 26, Northeastern Siberia 17. Concentrations are more variable in the European Arctic than in Arctic Canada or the Arctic Ocean, probably because of the proximity to BC sources. Individual

  15. Light-absorbing impurities in Arctic snow

    NASA Astrophysics Data System (ADS)

    Doherty, S. J.; Warren, S. G.; Grenfell, T. C.; Clarke, A. D.; Brandt, R. E.

    2010-12-01

    Absorption of radiation by ice is extremely weak at visible and near-ultraviolet wavelengths, so small amounts of light-absorbing impurities in snow can dominate the absorption of solar radiation at these wavelengths, reducing the albedo relative to that of pure snow, contributing to the surface energy budget and leading to earlier snowmelt. In this study Arctic snow is surveyed for its content of light-absorbing impurities, expanding and updating the 1983-1984 survey of Clarke and Noone. Samples were collected in Alaska, Canada, Greenland, Svalbard, Norway, Russia, and the Arctic Ocean during 1998 and 2005-2009, on tundra, glaciers, ice caps, sea ice, frozen lakes, and in boreal forests. Snow was collected mostly in spring, when the entire winter snowpack is accessible for sampling. Sampling was carried out in summer on the Greenland Ice Sheet and on the Arctic Ocean, of melting glacier snow and sea ice as well as cold snow. About 1200 snow samples have been analyzed for this study. The snow is melted and filtered; the filters are analyzed in a specially designed spectrophotometer system to infer the concentration of black carbon (BC), the fraction of absorption due to non-BC light-absorbing constituents and the absorption Ångstrom exponent of all particles. This is done using BC calibration standards having a mass absorption efficiency of 6.0 m2 g-1 at 550 nm and by making an assumption that the absorption Angstrom exponent for BC is 1.0 and for non-BC light-absorbing aerosol is 5.0. The reduction of snow albedo is primarily due to BC, but other impurities, principally brown (organic) carbon, are typically responsible for ~40% of the visible and ultraviolet absorption. The meltwater from selected snow samples was saved for chemical analysis to identify sources of the impurities. Median BC amounts in surface snow are as follows (nanograms of carbon per gram of snow): Greenland 3, Arctic Ocean snow 7, melting sea ice 8, Arctic Canada 8, subarctic Canada 14

  16. Quantification and structural elucidation of potential impurities in agomelatine active pharmaceutical ingredient.

    PubMed

    Liu, Yaxuan; Chen, Lei; Ji, Yibing

    2013-01-01

    Seven impurities in agomelatine drug substance were determined by a newly developed RP-HPLC method. Structures of potential impurities were confirmed by NMR and IR analysis. Efficient chromatographic separation was achieved on Hypersil BDS C18 column (250 mm × 4.6 mm, 5 μm) in gradient mode by using a binary mixture of potassium dihydrogen phosphate (15 mM, pH adjusted to 3.0) and acetonitrile at a flow rate of 1.0 ml/min. A photodiode array detector set at 230 nm was used for detection. Forced degradation studies showed that the proposed method was specific, and agomelatine was found to be susceptible to acidic and alkaline conditions. The method was validated according to ICH guidelines with respect to specificity, sensitivity, precision, linearity, accuracy, robustness and system suitability. Detection limit of impurities was in the range of 0.0008-0.0047%. Regression analysis showed correlation coefficient value greater than 0.999 for agomelatine and its seven impurities. Accuracy of the method was established based on the recovery obtained between 94.4% and 106.7% for all impurities. The validation results demonstrated that the developed method was suitable for the quantitative determination of potential impurities in agomelatine. A possible mechanism for the formation of impurities was proposed.

  17. Determining factors for the presence of impurities in selectively collected biowaste.

    PubMed

    Puig-Ventosa, Ignasi; Freire-González, Jaume; Jofra-Sora, Marta

    2013-05-01

    The presence of impurities in biodegradable waste (biowaste) causes problems with the management of waste, among which are additional costs derived from the need to improve pre-treatment of biowaste, loss of treatment capacity and the difficulty selling treated biowaste as compost owing to its low quality. When treated biowaste is used for soil conditioning it can also cause soil pollution. Understanding the reasons why impurities are in biowaste and the factors affecting the percentage of impurities present can be used to determine ways to minimise these negative effects. This article attempts to identify the main causes for the presence of impurities in biowaste. In order to do so, it carries out an empirical analysis of the level of impurities in biowaste from municipal waste collection in two steps. First, a bivariate analysis focuses on significant correlations between the presence of impurities and several variables. Second, the construction of an explanatory model based on the significant relations obtained in the first step, and on literature research, are used to check the stated hypothesis. The estimates demonstrate that the collection system, the global levels of separate collection, the urban density of the municipality and the requirement to use compostable bags may be the main drivers of impurity levels in biowaste.

  18. Paramagnetic Attraction of Impurity-Helium Solids

    NASA Technical Reports Server (NTRS)

    Bernard, E. P.; Boltnev, R. E.; Khmelenko, V. V.; Lee, D. M.

    2003-01-01

    Impurity-helium solids are formed when a mixture of impurity and helium gases enters a volume of superfluid helium. Typical choices of impurity gas are hydrogen deuteride, deuterium, nitrogen, neon and argon, or a mixture of these. These solids consist of individual impurity atoms and molecules as well as clusters of impurity atoms and molecules covered with layers of solidified helium. The clusters have an imperfect crystalline structure and diameters ranging up to 90 angstroms, depending somewhat on the choice of impurity. Immediately following formation the clusters aggregate into loosely connected porous solids that are submerged in and completely permeated by the liquid helium. Im-He solids are extremely effective at stabilizing high concentrations of free radicals, which can be introduced by applying a high power RF dis- charge to the impurity gas mixture just before it strikes the super fluid helium. Average concentrations of 10(exp 19) nitrogen atoms/cc and 5 x 10(exp 18) deuterium atoms/cc can be achieved this way. It shows a typical sample formed from a mixture of atomic and molecular hydrogen and deuterium. It shows typical sample formed from atomic and molecular nitrogen. Much of the stability of Im-He solids is attributed to their very large surface area to volume ratio and their permeation by super fluid helium. Heat resulting from a chance meeting and recombination of free radicals is quickly dissipated by the super fluid helium instead of thermally promoting the diffusion of other nearby free radicals.

  19. Direct Visualization of an Impurity Depletion Zone

    NASA Technical Reports Server (NTRS)

    Chernov, Alex A.; Garcia-Ruiz, Juan Ma; Thomas, Bill R.

    2000-01-01

    When a crystal incorporates more impurity per unit of its volume than the impurity concentration in solution, the solution in vicinity of the growing crystal is depleted with respect to the impurity I,2. With a stagnant solution, e. g. in microgravity or gels, an impurity depletion zone expands as the crystal grows and results in greater purity in most of the outer portion of the crystal than in the core. Crystallization in gel provides an opportunity to mimic microgravity conditions and visualize the impurity depletion zone. Colorless, transparent apoferritin (M congruent to 450 KDa) crystals were grown in the presence of red holoferritin dimer as a microheterogeneous impurity (M congruent to 900 KDa) within agarose gel by counterdiffusion with Cd(2+) precipitant. Preferential trapping of dimers, (distribution coefficient K = 4 (exp 1,2)) results in weaker red color around the crystals grown in the left tube in the figure as compared to the control middle tube without crystals. The left and the middle tubes contain colored ferritin dimers, the right tube contains colored trimers. The meniscus in the left tube separate gel (below) and liquid solution containing Cd(2+) (above). Similar solutions, though without precipitants, were present on top of the middle and right tube allowing diffusion of dimers and trimers. The area of weaker color intensity around crystals directly demonstrates overlapped impurity depletion zones.

  20. Quantifying Main Trends in Lysozyme Nucleation: The Effects of Precipitant Concentration, Supersaturation and Impurities

    NASA Technical Reports Server (NTRS)

    Burke, Michael W.; Leardi, Riccardo; Judge, Russell A.; Pusey, Marc L.; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Full factorial experimental design incorporating multi-linear regression analysis of the experimental data allows quick identification of main trends and effects using a limited number of experiments. In this study these techniques were employed to identify the effect of precipitant concentration, supersaturation, and the presence of an impurity, the physiological lysozyme dimer, on the nucleation rate and crystal dimensions of the tetragonal forin of chicken egg white lysozyme. Decreasing precipitant concentration, increasing supers aturation, and increasing impurity, were found to increase crystal numbers. The crystal axial ratio decreased with increasing precipitant concentration, independent of impurity.

  1. Al and Zn Impurity Diffusion in Binary and Ternary Magnesium Solid-Solutions

    SciTech Connect

    Kammerer, Catherine; Kulkarni, Nagraj S; Warmack, Robert J Bruce; Sohn, Yong Ho

    2014-01-01

    Magnesium alloys are considered for implementation into structural components where energy-efficiency and light-weighting are important. Two of the most common alloying elements in magnesium alloys are Aluminum and Zinc. The present work examines impurity diffusion coefficients of Al and Zn in Mg(Zn) and Mg(Al) binary solid solutions, respectively. Experimental investigation is carried out with ternary diffusion couples with polycrystalline alloys. Concentration profiles were measured by electron microprobe micro-analysis and the impurity diffusion coefficients were determined by the Hall Method. Results of Al and Zn impurity diffusion in Mg solid solutions are reported, and examined as a function of composition of Mg solid solution.

  2. An introduction to blocked impurity band detectors

    NASA Technical Reports Server (NTRS)

    Geist, Jon

    1988-01-01

    Blocked impurity band detectors fabricated using standard silicon technologies offer the possibility of combining high sensitivity and high accuracy in a single detector operating in a low background environment. The solid state photomultiplier described by Petroff et al., which is a new type of blocked impurity band detector, offers even higher sensitivity as well as operation in the visible spectral region. The principle of operation and possible application of blocked impurity band detectors for stellar seismology and the search for extra-solar planets are described.

  3. Classical confinement and outward convection of impurity ions in the MST RFP

    NASA Astrophysics Data System (ADS)

    Kumar, S. T. A.; Den Hartog, D. J.; Mirnov, V. V.; Caspary, K. J.; Magee, R. M.; Brower, D. L.; Chapman, B. E.; Craig, D.; Ding, W. X.; Eilerman, S.; Fiksel, G.; Lin, L.; Nornberg, M.; Parke, E.; Reusch, J. A.; Sarff, J. S.

    2012-05-01

    Impurity ion dynamics measured with simultaneously high spatial and temporal resolution reveal classical ion transport in the reversed-field pinch. The boron, carbon, oxygen, and aluminum impurity ion density profiles are obtained in the Madison Symmetric Torus [R. N. Dexter et al., Fusion Technol. 19, 131 (1991)] using a fast, active charge-exchange-recombination-spectroscopy diagnostic. Measurements are made during improved-confinement plasmas obtained using inductive control of tearing instability to mitigate stochastic transport. At the onset of the transition to improved confinement, the impurity ion density profile becomes hollow, with a slow decay in the core region concurrent with an increase in the outer region, implying an outward convection of impurities. Impurity transport from Coulomb collisions in the reversed-field pinch is classical for all collisionality regimes, and analysis shows that the observed hollow profile and outward convection can be explained by the classical temperature screening mechanism. The profile agrees well with classical expectations. Experiments performed with impurity pellet injection provide further evidence for classical impurity ion confinement.

  4. Role of sawtooth in avoiding impurity accumulation and maintaining good confinement in JET radiative mantle discharges

    NASA Astrophysics Data System (ADS)

    Nave, M. F. F.; Rapp, J.; Bolzonella, T.; Dux, R.; Mantsinen, M. J.; Budny, R.; Dumortier, P.; von Hellermann, M.; Jachmich, S.; Koslowski, H. R.; Maddison, G.; Messiaen, A.; Monier-Garbet, P.; Ongena, J.; Puiatti, M. E.; Strachan, J.; Telesca, G.; Unterberg, B.; Valisa, M.; de Vries, P.; JET-EFDA Workprogramme

    2003-10-01

    Impurity injection in the JET ELMy H-mode regime has produced high-confinement, quasi-steady-state plasmas with densities close to the Greenwald density. However, at large Ar densities, a sudden loss of confinement is observed. A possible correlation between loss of confinement and the observed MHD phenomena, both in the core and in the edge of the plasma, was considered. The degradation in confinement coincided with impurity profile peaking following the disappearance of sawtooth activity. In addition, impurity density profile analysis confirmed that central MHD modes prevented impurity peaking. Experiments were designed to understand the role of sawtooth crashes in re-distributing impurities. Ion-cyclotron radio frequency heating was used to control the central q-profile and maintain sawtooth activity. This resulted in quasi-steady-state, high-performance plasmas with high Ar densities. At H_{98y}*f_GWD\\sim 0.8 and high Ar injection rates, quasi-steady-states, which previously only lasted <1tgrE, were now maintained for the duration of the heating (Dgr t ~ 9tgr E). The increased central heating may have an additional beneficial effect in opposing impurity accumulation by changing the core power balance and modifying the impurity transport as predicted by neo-classical theory.

  5. Impurities and electronic localization in graphene bilayers

    NASA Astrophysics Data System (ADS)

    Ojeda Collado, H. P.; Usaj, Gonzalo; Balseiro, C. A.

    2015-01-01

    We analyze the electronic properties of bilayer graphene with Bernal stacking and a low concentration of adatoms. Assuming that the host bilayer lies on top of a substrate, we consider the case where impurities are adsorbed only on the upper layer. We describe nonmagnetic impurities as a single orbital hybridized with carbon's pz states. The effect of impurity doping on the local density of states with and without a gated electric field perpendicular to the layers is analyzed. We look for Anderson localization in the different regimes and estimate the localization length. In the biased system, the field-induced gap is partially filled by strongly localized impurity states. Interestingly, the structure, distribution, and localization length of these states depend on the field polarization.

  6. Numerical Studies of Impurities in Fusion Plasmas

    DOE R&D Accomplishments Database

    Hulse, R. A.

    1982-09-01

    The coupled partial differential equations used to describe the behavior of impurity ions in magnetically confined controlled fusion plasmas require numerical solution for cases of practical interest. Computer codes developed for impurity modeling at the Princeton Plasma Physics Laboratory are used as examples of the types of codes employed for this purpose. These codes solve for the impurity ionization state densities and associated radiation rates using atomic physics appropriate for these low-density, high-temperature plasmas. The simpler codes solve local equations in zero spatial dimensions while more complex cases require codes which explicitly include transport of the impurity ions simultaneously with the atomic processes of ionization and recombination. Typical applications are discussed and computational results are presented for selected cases of interest.

  7. Removal of some impurities from carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Feng, Yongcheng; Zhou, Gumin; Wang, Guoping; Qu, Meizhen; Yu, Zuolong

    2003-07-01

    A non-destructive mild oxidation method of removing some impurities from as-grown carbon nanotubes (CNTs), including single-wall carbon nanotubes (SWNTs) and multi-wall carbon nanotubes (MWNTs), by H 2O 2 oxidation and HCl treatment, has been investigated, and somewhat pure carbon nanotubes have been prepared. The CNTs from which some impurities were removed have been evaluated by transmission electron microscopy (TEM) and temperature programmed oxidation and gas chromatography (TPO-GC).

  8. Precipitating Chromium Impurities in Silicon Wafers

    NASA Technical Reports Server (NTRS)

    Salama, A. M.

    1982-01-01

    Two new treatments for silicon wafers improve solar-cell conversion efficiency by precipitating electrically-active chromium impurities. One method is simple heat treatment. Other involves laser-induced damage followed by similar heat treatment. Chromium is one impurity of concern in metallurgical-grade silicon for solar cells. In new treatment, chromium active centers are made electrically inactive by precipitating chromium from solid solution, enabling use of lower grade, lower cost silicon in cell manufacture.

  9. Effect of dilute strongly pinning impurities on charge density waves

    NASA Astrophysics Data System (ADS)

    Okamoto, Jun-ichi; Millis, Andrew J.

    2015-05-01

    We study theoretically the effects of strong pinning centers on a charge density wave in the limit that the charge density wave coherence length is shorter than the average interimpurity distance. An analysis based on a Ginzburg-Landau model shows that long-range forces arising from the elastic response of the charge density wave induce a kind of collective pinning which suppresses impurity-induced phase fluctuations, leading to a long-range ordered ground state. The correlations induced by impurities are characterized by a length scale parametrically longer than the average interimpurity distance. Long-wavelength fluctuations are found to be gapped, implying the stability of the ground state. We also present Monte Carlo simulations that confirm the basic features of the analytical results.

  10. Enhanced antiferromagnetic exchange between magnetic impurities in a superconducting host.

    PubMed

    Yao, N Y; Glazman, L I; Demler, E A; Lukin, M D; Sau, J D

    2014-08-22

    It is generally believed that superconductivity only weakly affects the indirect exchange between magnetic impurities. If the distance r between impurities is smaller than the superconducting coherence length (r ≲ ξ), this exchange is thought to be dominated by Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions, identical to the those in a normal metallic host. This perception is based on a perturbative treatment of the exchange interaction. Here, we provide a nonperturbative analysis and demonstrate that the presence of Yu-Shiba-Rusinov bound states induces a strong 1/r(2) antiferromagnetic interaction that can dominate over conventional RKKY even at distances significantly smaller than the coherence length (r ≪ ξ). Experimental signatures, implications, and applications are discussed.

  11. Segregation Coefficients of Impurities in Selenium by Zone Refining

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Sha, Yi-Gao

    1998-01-01

    The purification of Se by zone refining process was studied. The impurity solute levels along the length of a zone-refined Se sample were measured by spark source mass spectrographic analysis. By comparing the experimental concentration levels with theoretical curves the segregation coefficient, defined as the ratio of equilibrium concentration of a given solute in the solid to that in the liquid, k = x(sub s)/x(sub l) for most of the impurities in Se are found to be close to unity, i.e., between 0.85 and 1.15, with the k value for Si, Zn, Fe, Na and Al greater than 1 and that for S, Cl, Ca, P, As, Mn and Cr less than 1. This implies that a large number of passes is needed for the successful implementation of zone refining in the purification of Se.

  12. Dynamics of impurities in ultracold Bose gas

    NASA Astrophysics Data System (ADS)

    Shchadilova, Yulia; Grusdt, Fabian; Rubtsov, Alexey; Demler, Eugene

    2015-05-01

    A system of an impurity immersed in a Bose-Einstein condensate (BEC) exhibits the polaronic effect, which is known to be an ubiquitous phenomenon in a wide range of physical systems including semiconductors, doped Mott insulators, and high-Tc superconductors. Recent analysis of the BEC-polaron problem showed that existing analytical approaches do not provide reliable results in the experimentally relevant range of parameters when tested against Monte Carlo (MC) simulations. In this contribution we demonstrate that the description of polarons at finite momentum can be done by employing an analytical class of wavefunctions based on the correlated Gaussian ansatz (CGWs). We show that CGWs show excellent agreement with known MC results for the polaron binding energy for a wide range of interactions. We discuss the properties of the polarons and atomic mixtures in systems of ultracold atoms in which polaronic effects can be observed with current experimental technology. Our CGWs predicts a specific pattern of correlations between host atoms that can be measured in time-of-flight experiments. Department of Physics, Harvard University.

  13. Investigating the Effect of Impurities on Macromolecule Crystal Growth in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Judge, Russell A.; Crawford, Lisa; Forsythe, Elizabeth L.; Pusey, Marc L.; Sportiello, Michael; Todd, Paul; Bellamy, Henry; Lovelace, Jeff; Cassanto, John M.; Rose, M. Franklin (Technical Monitor)

    2001-01-01

    Chicken egg-white lysozyme (CEWL) crystals were grown in microgravity and on the ground in the presence of various amounts of a naturally occurring lysozyme dimer impurity. No significant favorable differences in impurity incorporation between microgravity and ground crystal samples were observed. At low impurity concentration the microgravity crystals preferentially incorporated the dimer. The presence of the dimer in the crystallization solutions in microgravity reduced crystal size, increased mosaicity and reduced the signal to noise ratio of the X-ray data. Microgravity samples proved more sensitive to impurity. Accurate indexing of the reflections proved critical to the X-ray analysis. The largest crystals with the best X-ray diffraction properties were grown from pure solution in microgravity.

  14. Critical assessment of the impurity diffusivities in solid and liquid silicon

    NASA Astrophysics Data System (ADS)

    Tang, Kai; Øvrelid, Eivind J.; Tranell, Gabriella; Tangstad, Merete

    2009-11-01

    The diffusion of impurities in solid and liquid silicon is critically reviewed and assessed in this paper. The activation energies and pre-exponential factors in theArrhenius equation have been evaluated using the least-squares analysis and semi-empirical correlations. Impurity diffusion coefficients for Ag, Al, As, Au, B, Bi, C, Co, Cr, Cu, Fe, Ga, In, Li, Mn, N, Ni, 0, P, S, Sb, Te, Ti, and Zn in both solid and liquid silicon have been obtained. The current assessed impurity diffusivities can be coupled with the assessed thermochemical properties for the simulation of diffusion phenomena in the production of solar grade cell silicon feedstock. The assessed diffusivities have been applied to simulate the impurity diffusion profiles and the denuded zone in the intrinsic gettering annealing.

  15. Impurity segregation in zone-refined precursors for crystalline halide scintillators

    NASA Astrophysics Data System (ADS)

    Swider, S.; Lam, S.; Motakef, S.; Donohoe, E.; Coers, L.; Taylor, S.; Spencer, S.

    2015-06-01

    Successful growth of halide scintillator crystals depends on a supply of ultra-high purity (UHP) precursor materials. Metallic interstitials and substitutions may provide traps that quench luminescence. Oxygen impurities can create competing compounds within a matrix, such as oxyhalides, that disrupt crystallinity and nucleate cracks. Using mass spectroscopy and oxygen combustion analysis, we analyzed impurities in SrI2, EuI2, and YCl3 precursors before and after zone refining. The data show most alkali and alkali earth impurities segregated easily. However, with the exception of iron, many transition metals were incorporated into the solid. Reliable oxygen measurements proved difficult to achieve. Additional oxygen was measured in nitrates and sulfates, via ion chromatography. Zone refining reduced the overall impurity content, but levels remained above a 10 ppm target.

  16. Quantitative assessment of cumulative carcinogenic risk for multiple genotoxic impurities in a new drug substance.

    PubMed

    Bercu, Joel P; Hoffman, Wherly P; Lee, Cindy; Ness, Daniel K

    2008-08-01

    In pharmaceutical development, significant effort is made to minimize the carcinogenic potential of new drug substances (NDS). This involves appropriate genotoxicity and carcinogenicity testing of the NDS, and understanding the genotoxic potential of its impurities. Current available guidance recommends the use of the threshold of toxicological concern (TTC) for a single impurity where mutagenicity but no carcinogenicity information exists. Despite best efforts, the presence of more than one genotoxic impurity in an NDS may occur at trace levels. This paper repeats the analysis performed by others for a single genotoxic compound, but also uses statistical simulations to assess the impact on cancer risk for a mixture of genotoxic compounds. In summary, with the addition of multiple impurities all controlled to the TTC, an increase in cancer risk was observed. This increase is relatively small when considering the conservative assumptions of the TTC. If structurally similar compounds had an assumed strong correlation (+/-10-fold from the first randomly selected impurity) in cancer potency, the resulting cancer risk was not negatively impacted. Findings based on probabilistic analysis here can be very useful in making appropriate decisions about risk management of multiple genotoxic impurities measured in the final drug substance.

  17. APPLICATION OF COLUMN EXTRACTION METHOD FOR IMPURITIES ANALYSIS ON HB-LINE PLUTONIUM OXIDE IN SUPPORT OF MOX FEED PRODUCT SPECIFICATIONS

    SciTech Connect

    Jones, M.; Diprete, D.; Wiedenman, B.

    2012-03-20

    The current mission at H-Canyon involves the dissolution of an Alternate Feedstocks 2 (AFS-2) inventory that contains plutonium metal. Once dissolved, HB-Line is tasked with purifying the plutonium solution via anion exchange, precipitating the Pu as oxalate, and calcining to form plutonium oxide (PuO{sub 2}). The PuO{sub 2} will provide feed product for the Mixed Oxide (MOX) Fuel Fabrication Facility, and the anion exchange raffinate will be transferred to H-Canyon. The results presented in this report document the potential success of the RE resin column extraction application on highly concentrated Pu samples to meet MOX feed product specifications. The original 'Hearts Cut' sample required a 10000x dilution to limit instrument drift on the ICP-MS method. The instrument dilution factors improved to 125x and 250x for the sample raffinate and sample eluent, respectively. As noted in the introduction, the significantly lower dilutions help to drop the total MRL for the analyte. Although the spike recoveries were half of expected in the eluent for several key elements, they were between 94-98% after Nd tracer correction. It is seen that the lower ICD limit requirements for the rare earths are attainable because of less dilution. Especially important is the extremely low Ga limit at 0.12 {mu}g/g Pu; an ICP-MS method is now available to accomplish this task on the sample raffinate. While B and V meet the column A limits, further development is needed to meet the column B limits. Even though V remained on the RE resin column, an analysis method is ready for investigation on the ICP-MS, but it does not mean that V cannot be measured on the ICP-ES at a low dilution to meet the column B limits. Furthermore, this column method can be applicable for ICP-ES as shown in Table 3-2, in that it trims the sample of Pu, decreasing and sometimes eliminating Pu spectral interferences.

  18. Startup impurity diagnostics in Wendelstein 7-X stellarator in the first operational phase

    NASA Astrophysics Data System (ADS)

    Thomsen, H.; Langenberg, A.; Zhang, D.; Bertschinger, G.; Biedermann, C.; Biel, W.; Burhenn, R.; Buttenschön, B.; Grosser, K.; König, R.; Kubkowska, M.; Marchuk, O.; Pablant, N.; Ryc, L.; Pedersen, T. S.; W7-X Team

    2015-10-01

    An essential element for stationary stellarator operation is the understanding of the impurity transport behavior. Neoclassical theory predicts an impurity transport towards the plasma core for the standard ion root regime in stellarators [1,2]. The performance of a quasi-stationary device like Wendelstein 7-X stellarator (W7-X, presently in the commissioning phase in Greifswald, Germany) could be limited in case of strong impurity accumulation. Therefore, a set of plasma diagnostics is foreseen to obtain key experimental quantities for the neoclassical transport modeling as ion temperature profile, density gradients and impurity concentration [1]. The core impurity content is monitored by the High Efficiency eXtreme ultraviolet Overview Spectrometer system (HEXOS) [2], covering the wavelength range 2.5-160 nm (intermediate ionization states of all relevant heavy intrinsic impurity species) with high spectral resolution and a time resolution of 1 ms, adequate for transport analysis. Impurity radiation at shorter wave lengths (4 nm-0.06 nm) will be monitored with the SX pulse height analysis system (PHA) [3]. The ion temperature profile can be deduced from inversion of data from the High Resolution X-ray Imaging Spectrometer (HR-XIS), which measures the concentration and temperature of argon tracer gas in helium-like ionization stages [6,7,8]. A second X-ray Imaging Crystal Spectrometer (XICS), which will additionally provide the poloidal ion rotation velocity, is under preparation [8,9]. The total radiation will be measured by two bolometer cameras [10,11]. The status of the impurity diagnostics for the first operational phase in W7-X is summarized in this paper and an outlook for the next experimental campaign is given.

  19. Divertor impurity monitor for the International Thermonuclear Experimental Reactor

    NASA Astrophysics Data System (ADS)

    Sugie, T.; Ogawa, H.; Nishitani, T.; Kasai, S.; Katsunuma, J.; Maruo, M.; Ebisawa, K.; Ando, T.; Kita, Y.

    1999-01-01

    The divertor impurity monitoring system of the International Thermonuclear Experimental Reactor has been designed. The main functions of this system are to identify impurity species and to measure the two-dimensional distributions of the particle influxes in the divertor plasmas. The wavelength range is 200-1000 nm. The viewing fans are realized by molybdenum mirrors located in the divertor cassette. With additional viewing fans seeing through the gap between the divertor cassettes, the region approximately from the divertor leg to the x point will be observed. The light from the divertor region passes through the quartz windows on the divertor port plug and the cryostat, and goes through the dog-leg optics in the biological shield. Three different type of spectrometers: (i) survey spectrometers for impurity species monitoring, (ii) filter spectrometers for the particle influx measurement with the spatial resolution of 10 mm and the time resolution of 1 ms, and (iii) high dispersion spectrometers for high resolution wavelength measurements are designed. These spectrometers are installed just behind the biological shield (for λ<450 nm) to prevent the transmission loss in fiber and in the diagnostic room (for λ⩾450 nm) from the point of view of accessibility and flexibility. The optics have been optimized by a ray trace analysis. As a result, 10-15 mm spatial resolution will be achieved in all regions of the divertor.

  20. Anderson metal-insulator transitions with classical magnetic impurities

    SciTech Connect

    Jung, Daniel; Kettemann, Stefan

    2014-08-20

    We study the effects of classical magnetic impurities on the Anderson metal-insulator transition (AMIT) numerically. In particular we find that while a finite concentration of Ising impurities lowers the critical value of the site-diagonal disorder amplitude W{sub c}, in the presence of Heisenberg impurities, W{sub c} is first increased with increasing exchange coupling strength J due to time-reversal symmetry breaking. The resulting scaling with J is compared to analytical predictions by Wegner [1]. The results are obtained numerically, based on a finite-size scaling procedure for the typical density of states [2], which is the geometric average of the local density of states. The latter can efficiently be calculated using the kernel polynomial method [3]. Although still suffering from methodical shortcomings, our method proves to deliver results close to established results for the orthogonal symmetry class [4]. We extend previous approaches [5] by combining the KPM with a finite-size scaling analysis. We also discuss the relevance of our findings for systems like phosphor-doped silicon (Si:P), which are known to exhibit a quantum phase transition from metal to insulator driven by the interplay of both interaction and disorder, accompanied by the presence of a finite concentration of magnetic moments [6].

  1. Light scattering from impurity enhanced liquid layers in polycrystalline ice

    NASA Astrophysics Data System (ADS)

    Thomson, E. S.; Wettlaufer, J. S.; Wilen, L. A.

    2009-12-01

    Impurity enhanced grain boundary premelting underlies a wide range of geophysical phenomena throughout the cryosphere. In particular, it is known that when water droplets freeze in the atmosphere they are highly polycrystalline and impurities are rejected into grain boundaries. The predicted character and sensitivity of grain boundaries to impurities close to the melting point precludes the use of standard techniques for imaging the interface. Unlike their larger more macroscopic relatives such as veins (3 grain intersections) and nodes (4 grain intersections), grain boundaries do not submit to optical microscopy. However, using an experimental light scattering method grain boundary changes can be measured as a function of thermodynamic variables. Accurate analysis of the light scattering data generated using this method requires a full theory of light propagation through the grain boundary layer straddled by ice crystals. Here we present a theory for light scattering from such a boundary, experimental data using NaCl as a dopant, and dicsuss atmospheric implications from the troposphere to the stratosphere.

  2. Gettering of metal impurities in silicon

    SciTech Connect

    Schroeter, W.; Spiecker, E.; Apel, M.

    1995-08-01

    Gettering means the removal of metallic impurities from the device-active area of the wafer by transport to a predesigned region-called gettering layer (GL). We introduce an interface at z = d{sub GL}, at which the effect of the gettering mechanism on the metal impurity distribution in the wafer is quantified, e.g. by specifying currents or by interfacial reactions of metal impurities, self interstitials etc. between GL and wafer. In response metal impurities will diffuse out of the wafer into the gettering layer. Following such a concept, in general three species of the metal impurity (M) are involved in gettering: M{sub p} {l_arrow} M{sub i} {l_arrow} M{sub GL}. M{sub p} denotes immobile species in the wafer, which are precipitated into suicides or segregated at extended defects or whose diffusivity is too small to contribute noticeably to transport during the gettering procedure - like many substitutional metal species.

  3. Magnetic impurity in a Weyl semimetal

    NASA Astrophysics Data System (ADS)

    Sun, Jin-Hua; Xu, Dong-Hui; Zhang, Fu-Chun; Zhou, Yi

    2015-11-01

    We utilize the variational method to study the Kondo screening of a spin-1 /2 magnetic impurity in a three-dimensional (3D) Weyl semimetal with two Weyl nodes along the kz axis. The model reduces to a 3D Dirac semimetal when the separation of the two Weyl nodes vanishes. When the chemical potential lies at the nodal point, μ =0 , the impurity spin is screened only if the coupling between the impurity and the conduction electron exceeds a critical value. For finite but small μ , the impurity spin is weakly bound due to the low density of states, which is proportional to μ2, contrary to that in a 2D Dirac metal such as graphene and 2D helical metal, where the density of states is proportional to |μ | . The spin-spin correlation function Ju v(r ) between the spin v component of the magnetic impurity at the origin and the spin u component of a conduction electron at spatial point r is found to be strongly anisotropic due to the spin-orbit coupling, and it decays in the power law. The main difference of the Kondo screening in 3D Weyl semimetals and in Dirac semimetals is in the spin x (y ) component of the correlation function in the spatial direction of the z axis.

  4. DETECTING LOW-LEVEL SYNTHESIS IMPURITIES IN MODIFIED PHOSPHOROTHIOATE OLIGONUCLEOTIDES USING LIQUID CHROMATOGRAPHY – HIGH RESOLUTION MASS SPECTROMETRY

    PubMed Central

    Nikcevic, Irena; Wyrzykiewicz, Tadeusz K.; Limbach, Patrick A.

    2010-01-01

    Summary An LC-MS method based on the use of high resolution Fourier transform ion cyclotron resonance mass spectrometry (FTIRCMS) for profiling oligonucleotides synthesis impurities is described. Oligonucleotide phosphorothioatediesters (phosphorothioate oligonucleotides), in which one of the non-bridging oxygen atoms at each phosphorus center is replaced by a sulfur atom, are now one of the most popular oligonucleotide modifications due to their ease of chemical synthesis and advantageous pharmacokinetic properties. Despite significant progress in the solid-phase oligomerization chemistry used in the manufacturing of these oligonucleotides, multiple classes of low-level impurities always accompany synthetic oligonucleotides. Liquid chromatography-mass spectrometry has emerged as a powerful technique for the identification of these synthesis impurities. However, impurity profiling, where the entire complement of low-level synthetic impurities is identified in a single analysis, is more challenging. Here we present an LC-MS method based the use of high resolution-mass spectrometry, specifically Fourier transform ion cyclotron resonance mass spectrometry (FTIRCMS or FTMS). The optimal LC-FTMS conditions, including the stationary phase and mobile phases for the separation and identification of phosphorothioate oligonucleotides, were found. The characteristics of FTMS enable charge state determination from single m/z values of low-level impurities. Charge state information then enables more accurate modeling of the detected isotopic distribution for identification of the chemical composition of the detected impurity. Using this approach, a number of phosphorothioate impurities can be detected by LC-FTMS including failure sequences carrying 3′-terminal phosphate monoester and 3′-terminal phosphorothioate monoester, incomplete backbone sulfurization and desulfurization products, high molecular weight impurities, and chloral, isobutyryl, and N3 (2-cyanoethyl) adducts

  5. Strong quantum scarring by local impurities

    NASA Astrophysics Data System (ADS)

    Luukko, Perttu J. J.; Drury, Byron; Klales, Anna; Kaplan, Lev; Heller, Eric J.; Räsänen, Esa

    2016-11-01

    We discover and characterise strong quantum scars, or quantum eigenstates resembling classical periodic orbits, in two-dimensional quantum wells perturbed by local impurities. These scars are not explained by ordinary scar theory, which would require the existence of short, moderately unstable periodic orbits in the perturbed system. Instead, they are supported by classical resonances in the unperturbed system and the resulting quantum near-degeneracy. Even in the case of a large number of randomly scattered impurities, the scars prefer distinct orientations that extremise the overlap with the impurities. We demonstrate that these preferred orientations can be used for highly efficient transport of quantum wave packets across the perturbed potential landscape. Assisted by the scars, wave-packet recurrences are significantly stronger than in the unperturbed system. Together with the controllability of the preferred orientations, this property may be very useful for quantum transport applications.

  6. Magnetic impurities in small metal clusters

    NASA Astrophysics Data System (ADS)

    Pastor, G. M.

    2005-09-01

    [Dedicated to Bernhard Mühlschlegel on the occasion of his 80th birthday]Magnetic impurities in small metallic clusters are investigated in the framework of the Anderson model by using exact diagonalization and geometry optimization methods.The singlet-triplet spin gap E shows a remarkable dependence as a function of band-filling, cluster structure, and impurity position that can be interpreted in terms of the environment-specific conduction-electron spectrum. The low-energy spin excitations involve similar energies as isomerizations. Interesting correlations between cluster structure and magnetic behavior are revealed. Finite-temperature properties such as specific heat, effective impurity moment, and magnetic susceptibility are calculated exactly in the canonical ensemble. A finite-size equivalent of the Kondo effect is identified and its structural dependence is discussed.

  7. Strong quantum scarring by local impurities

    PubMed Central

    Luukko, Perttu J. J.; Drury, Byron; Klales, Anna; Kaplan, Lev; Heller, Eric J.; Räsänen, Esa

    2016-01-01

    We discover and characterise strong quantum scars, or quantum eigenstates resembling classical periodic orbits, in two-dimensional quantum wells perturbed by local impurities. These scars are not explained by ordinary scar theory, which would require the existence of short, moderately unstable periodic orbits in the perturbed system. Instead, they are supported by classical resonances in the unperturbed system and the resulting quantum near-degeneracy. Even in the case of a large number of randomly scattered impurities, the scars prefer distinct orientations that extremise the overlap with the impurities. We demonstrate that these preferred orientations can be used for highly efficient transport of quantum wave packets across the perturbed potential landscape. Assisted by the scars, wave-packet recurrences are significantly stronger than in the unperturbed system. Together with the controllability of the preferred orientations, this property may be very useful for quantum transport applications. PMID:27892510

  8. Characteristics of impurity-induced pseudogap

    NASA Astrophysics Data System (ADS)

    Numata, Yoshinori; Uto, Tatsuro; Matuda, Azusa

    2016-05-01

    We have performed STM/STS measurements on a single crystal of Bi2.1Sr1.9Ca (Cu1-xCox) 2O8+δ (Co-Bi2212), to reveal impurity effects on the pseudogap in cuprate high-Tc superconductors. We report a drastic change in the temperature dependence of a pseudogap and in the density of states (DOS) modulation with a 4a period, in a certain doping range. In the Co 4% substituted samples, the pseudogap gradually closed like a gap of a BCS superconductor for slightly overdoped and overdoped regime, while their low temperature values were enhanced due to impurity. In addition, a disappearance of a 4a periodic modulation and a development of new modulation were observed in the DOS spatial distribution. These results indicate an intimate relation between the DOS modulation and the pseudogap, and qualitative difference in the impurity enhanced pseudogap and conventional one.

  9. Identification, characterization and quantification of new impurities by LC-ESI/MS/MS and LC-UV methods in rivastigmine tartrate active pharmaceutical ingredient.

    PubMed

    Thomas, Saji; Shandilya, Sanjeev; Bharati, Amber; Paul, Saroj Kumar; Agarwal, Ashutosh; Mathela, Chandra S

    2012-01-05

    Six impurities were detected at trace level in rivastigmine tartrate drug substance by a newly developed high performance liquid chromatography method. Three impurities were characterized rapidly and three impurities were found to be unknown. The unknown impurities were enriched and identified with a combination of semi-preparative HPLC and LC/MS/MS techniques. Proposed structures were further confirmed by characterization using NMR, FT-IR, and EA techniques of impurity standards. Based on the spectroscopic, spectrometric and elemental analysis data unknown impurities were characterized as 3-[1-(dimethylamino)ethyl]phenyl N-ethyl-N-methyl carbamate N-oxide, ethyl-methyl-carbamic acid 4-(1-dimethylamino-ethyl)-phenyl ester and ethyl-methyl-carbamic acid 2-(1-dimethylamino-ethyl)-phenyl ester. A plausible mechanism for the formation of these impurities is also proposed. The method was validated according to ICH guidelines for fourteen impurities to demonstrate specificity, precision, linearity, accuracy and stability indicating nature of the method. Regression analysis showed correlation coefficient value greater than 0.999 for rivastigmine tartrate and its impurities. Accuracy of the method was established based on the recovery obtained between 93.41 and 113.33% for all impurities.

  10. Progress in nonmagnetic impurity doping studies on Fe-based superconductors

    NASA Astrophysics Data System (ADS)

    Li, Jun; Guo, Yan-Feng; Yang, Zhao-Rong; Yamaura, Kazunari; Takayama-Muromachi, Eiji; Wang, Hua-Bing; Wu, Pei-Heng

    2016-05-01

    We review the progress of nonmagnetic impurity doping studies on Fe-based superconductors. On the theoretical side, two highly promising candidates for the pairing symmetry order parameter, i.e. the multi-gap s ++ and s ± wave models, have been proposed but continuously debated. The debate arises because of the complex gap structure and exceptional magnetic and metallic behaviors of Fe-based superconductors, which may vary the influence of nonmagnetic defects in the chemical potential, impurity disorder, inter- and intra-band scattering strength, and electron localization. This creates difficulties in directly obtaining the most important information for understanding the symmetry order parameter. Experimentally, nonmagnetic impurity substitution studies have been widely carried out, which have provided very useful insights. We review herein the various nonmagnetic impurity doping experiments, including the controlled defects within the superconducting Fe2 X 2 planes through sample quality improvement, single impurity effects on the electronic state and local moment, the magnetic response of the Fe2 X 2 planes both on the macroscopic scale as the antiferromagnetic state and the local scale of moment, as well as the significant effect of modifying the transport properties. The experiments enable us to qualitatively analyze the nonmagnetic impurity effects on the superconducting state for many Fe-based superconductors. We also propose herein some strategies for nonmagnetic impurity doping study. As an important model for explaining the nonmagnetic impurity doping effects, the pair-breaking model is compared with various theoretical approaches via analysis of the pair-breaking rates of various Fe-superconductors.

  11. Host cell protein impurities in chromatographic polishing steps for monoclonal antibody purification.

    PubMed

    Levy, Nicholas E; Valente, Kristin N; Lee, Kelvin H; Lenhoff, Abraham M

    2016-06-01

    Downstream purification of monoclonal antibodies (mAbs) is normally performed using a platform process that is empirically tuned to optimize impurity removal for each new product. A more fundamental understanding of impurities and the product itself would provide insights into the rational design of efficient downstream processes. This work examines the chromatographic properties of Chinese hamster ovary host cell protein (HCP) impurities in non-affinity chromatographic resins commonly used in polishing steps for monoclonal antibody purification: ion-exchange, hydrophobic interaction, and multimodal. Using proteomic analysis, the specific HCP impurities that elute close to mAb products are identified for these resins at typical downstream processing conditions. Additionally, the interactions of HCP impurities with mAb products are profiled to determine the total extent of product association and the specific HCP species that form associative complexes under conditions encountered in polishing columns. Product association and co-elution were both identified as viable mechanisms of HCP retention for the non-affinity resins tested here. A relatively large sub-population of HCP impurities was found to co-elute or associate with mAbs in each polishing column, but only a small population of HCPs-including lipoprotein lipase, chrondroitin sulfate proteoglycan 4, nidogen-1, and SPARC-were identified as difficult to remove across an entire downstream mAb process. Biotechnol. Bioeng. 2016;113: 1260-1272. © 2015 Wiley Periodicals, Inc.

  12. Magnetic impurities in spin-split superconductors

    NASA Astrophysics Data System (ADS)

    van Gerven Oei, W.-V.; Tanasković, D.; Žitko, R.

    2017-02-01

    Hybrid semiconductor-superconductor quantum dot devices are tunable physical realizations of quantum impurity models for a magnetic impurity in a superconducting host. The binding energy of the localized subgap Shiba states is set by the gate voltages and external magnetic field. In this work we discuss the effects of the Zeeman spin splitting, which is generically present both in the quantum dot and in the (thin-film) superconductor. The unequal g factors in semiconductor and superconductor materials result in respective Zeeman splittings of different magnitude. We consider both classical and quantum impurities. In the first case we analytically study the spectral function and the subgap states. The energy of bound states depends on the spin-splitting of the Bogoliubov quasiparticle bands as a simple rigid shift. For the case of collinear magnetization of impurity and host, the Shiba resonance of a given spin polarization remains unperturbed when it overlaps with the branch of the quasiparticle excitations of the opposite spin polarization. In the quantum case, we employ numerical renormalization group calculations to study the effect of the Zeeman field for different values of the g factors of the impurity and of the superconductor. We find that in general the critical magnetic field for the singlet-doublet transition changes nonmonotonically as a function of the superconducting gap, demonstrating the existence of two different transition mechanisms: Zeeman splitting of Shiba states or gap closure due to Zeeman splitting of Bogoliubov states. We also study how in the presence of spin-orbit coupling, modeled as an additional noncollinear component of the magnetic field at the impurity site, the Shiba resonance overlapping with the quasiparticle continuum of the opposite spin gradually broadens and then merges with the continuum.

  13. Organic impurity profiling of methylone and intermediate compounds synthesized from catechol.

    PubMed

    Heather, Erin; Bortz, Adam; Shimmon, Ronald; McDonagh, Andrew M

    2016-11-25

    This work examined the synthesis and organic impurity profile of methylone prepared from catechol. The primary aim of this work was to determine whether the synthetic pathway used to prepare 3,4-methylenedioxypropiophenone could be ascertained through analysis of the synthesized methylone. The secondary aim was the structural elucidation and origin determination of the organic impurities detected in methylone and the intermediate compounds. The organic impurities present in the reaction products were identified using GC-MS and NMR spectroscopy. Six organic impurities were detected in 1,3-benzodioxole and identified as the 1,3-benzodioxole dimer, 1,3-benzodioxole trimer, [1,3] dioxolo[4,5-b]oxanthrene, 4,4'-, 4,5'-, and 5,5'-methylenebis-1,3-benzodioxole. Six organic impurities were detected in 3,4-methylenedioxypropiophenone and identified as (2-hydroxyphenyl) propanoate, [2-(chloromethoxy) phenyl] propanoate, (2-propanoyloxyphenyl)propanoate, 5-[1-(1,3-benzodioxol-5-yl)prop-1-enyl]-1,3-benzodioxole, (5E)- and (5Z)-7-(1,3-benzodioxol-5-yl)-5-ethylidene-6-methyl-cyclopenta[f][1,3]benzodioxole). Exploratory synthetic experiments were also conducted to unambiguously identify the organic impurities detected in 3,4-methylenedioxypropiophenone. Two organic impurities were detected in 5-bromo-3,4-methylenedioxypropiophenone and identified as [2-(chloromethoxy)phenyl] propanoate and 3,4-methylenedioxypropiophenone. Five organic impurities were detected in methylone and identified as 3,4-methylenedioxypropiophenone, 1-(1,3-benzodioxol-5-yl)-N-methyl-propan-1-imine, 1-(1,3-benzodioxol-5-yl)-2-methylimino-propan-1-one, 1-(1,3-benzodioxol-5-yl)-N1,N2-dimethyl-propane-1,2-diimine and butylated hydroxytoluene. The origin of these organic impurities was also ascertained, providing valuable insight into the chemical profiles of methylone and the intermediate compounds. However, neither the catechol precursor nor the 1,3-benzodioxole intermediate could be identified based on the

  14. Identification, control strategies, and analytical approaches for the determination of potential genotoxic impurities in pharmaceuticals: a comprehensive review.

    PubMed

    Reddy, Ambavaram Vijaya Bhaskar; Jaafar, Jafariah; Umar, Khalid; Majid, Zaiton Abdul; Aris, Azmi Bin; Talib, Juhaizah; Madhavi, Gajulapalle

    2015-03-01

    Potential genotoxic impurities in pharmaceuticals at trace levels are of increasing concern to both pharmaceutical industries and regulatory agencies due to their possibility for human carcinogenesis. Molecular functional groups that render starting materials and synthetic intermediates as reactive building blocks for small molecules may also be responsible for their genotoxicity. Determination of these genotoxic impurities at trace levels requires highly sensitive and selective analytical methodologies, which poses tremendous challenges on analytical communities in pharmaceutical research and development. Experimental guidance for the analytical determination of some important classes of genotoxic impurities is still unavailable in the literature. Therefore, the present review explores the structural alerts of commonly encountered potential genotoxic impurities, draft guidance of various regulatory authorities in order to control the level of impurities in drug substances and to assess their toxicity. This review also describes the analytical considerations for the determination of potential genotoxic impurities at trace levels and finally few case studies are also discussed for the determination of some important classes of potential genotoxic impurities. It is the authors' intention to provide a complete strategy that helps analytical scientists for the analysis of such potential genotoxic impurities in pharmaceuticals.

  15. The physics of Kondo impurities in graphene.

    PubMed

    Fritz, Lars; Vojta, Matthias

    2013-03-01

    This article summarizes our understanding of the Kondo effect in graphene, primarily from a theoretical perspective. We shall describe different ways to create magnetic moments in graphene, either by adatom deposition or via defects. For dilute moments, the theoretical description is in terms of effective Anderson or Kondo impurity models coupled to graphene's Dirac electrons. We shall discuss in detail the physics of these models, including their quantum phase transitions and the effect of carrier doping, and confront this with existing experimental data. Finally, we will point out connections to other quantum impurity problems, e.g., in unconventional superconductors, topological insulators, and quantum spin liquids.

  16. Fractional impurity moments in two-dimensional noncollinear magnets.

    PubMed

    Wollny, Alexander; Fritz, Lars; Vojta, Matthias

    2011-09-23

    We study dilute magnetic impurities and vacancies in two-dimensional frustrated magnets with noncollinear order. Taking the triangular-lattice Heisenberg model as an example, we use quasiclassical methods to determine the impurity contributions to the magnetization and susceptibility. Most importantly, each impurity moment is not quantized but receives nonuniversal screening corrections due to local relief of frustration. At finite temperatures, where bulk long-range order is absent, this implies an impurity-induced magnetic response of Curie form, with a prefactor corresponding to a fractional moment per impurity. We also discuss the behavior in an applied magnetic field, where we find a singular linear-response limit for overcompensated impurities.

  17. Quality by design in the chiral separation strategy for the determination of enantiomeric impurities: development of a capillary electrophoresis method based on dual cyclodextrin systems for the analysis of levosulpiride.

    PubMed

    Orlandini, S; Pasquini, B; Del Bubba, M; Pinzauti, S; Furlanetto, S

    2015-02-06

    Quality by design (QbD) concepts, in accordance with International Conference on Harmonisation Pharmaceutical Development guideline Q8(R2), represent an innovative strategy for the development of analytical methods. In this paper QbD principles have been comprehensively applied in the set-up of a capillary electrophoresis method aimed to quantify enantiomeric impurities. The test compound was the chiral drug substance levosulpiride (S-SUL) and the developed method was intended to be used for routine analysis of the pharmaceutical product. The target of analytical QbD approach is to establish a design space (DS) of critical process parameters (CPPs) where the critical quality attributes (CQAs) of the method have been assured to fulfil the desired requirements with a selected probability. QbD can improve the understanding of the enantioseparation process, including both the electrophoretic behavior of enantiomers and their separation, therefore enabling its control. The CQAs were represented by enantioresolution and analysis time. The scouting phase made it possible to select a separation system made by sulfated-β-cyclodextrin and a neutral cyclodextrin, operating in reverse polarity mode. The type of neutral cyclodextrin was included among other CPPs, both instrumental and related to background electrolyte composition, which were evaluated in a screening phase by an asymmetric screening matrix. Response surface methodology was carried out by a Doehlert design and allowed the contour plots to be drawn, highlighting significant interactions between some of the CPPs. DS was defined by applying Monte-Carlo simulations, and corresponded to the following intervals: sulfated-β-cyclodextrin concentration, 9-12 mM; methyl-β-cyclodextrin concentration, 29-38 mM; Britton-Robinson buffer pH, 3.24-3.50; voltage, 12-14 kV. Robustness of the method was examined by a Plackett-Burman matrix and the obtained results, together with system repeatability data, led to define a method

  18. Identification, Characterization, and Quantification of Impurities of Safinamide Mesilate: Process-Related Impurities and Degradation Products.

    PubMed

    Zou, Liang; Sun, Lili; Zhang, Hui; Hui, Wenkai; Zou, Qiaogen; Zhu, Zheying

    2017-02-02

    The characterization of process-related impurities and degradation products of safinamide mesilate (SAFM) in bulk drugand a stability-indicating HPLC method for the separation and quantification of all the impurities were investigated. Four process-related impurities (Imp-B, Imp-C, Imp-D, and Imp-E) were found in the SAFM bulk drug. Five degradation products (Imp-A, Imp-C, Imp-D, Imp-E, and Imp-F) were observed in SAFM under oxidative conditions. Imp-C, Imp-D, and Imp-E were also degradation products and process-related impurities. Remarkably, one new compound, identified as (S)-2-[4-(3-fluoro-benzyloxy) benzamido] propanamide (i.e., Imp-D), is being reported here as an impurity for the first time. Furthermore, the structures of the aforementioned impurities were characterized and confirmed via IR, NMR, and MS techniques, and the most probable formation mechanisms of all impurities proposed according to the synthesis route. Optimum separation was achieved on an Inertsil ODS-3 column (250 × 4.6 mm, 5 μm), using 0.1% formic acid in water (pH adjusted to 5.0) and acetonitrile as the mobile phase in gradient mode. The proposed method was found to be stability-indicating, precise, linear, accurate, sensitive, and robust for the quantitation of SAFM and its process-related substances, including its degradation products.

  19. Defects and impurities in mercuric iodine processing

    SciTech Connect

    van Scyoc, J.M.; James, R.B.; Schlesinger, T.E.; Gilbert, T.S.

    1996-03-01

    In the fabrication of mercuric iodide HgI{sub 2} room temperature radiation detectors, as in any semiconductor process, the quality of the final device is very sensitive to the impurities and defects present. Each process step can change the effects of existing defects, reduce the number of defects, or introduce new defects. In HgI{sub 2} detectors these defects act as trapping and recombination centers, thereby degrading immediate performance and leading to unstable devices. In this work we characterized some of the defects believed to strongly affect detector operation. Specifically, we studied impurities that are known to be present in typical HgI{sub 2} materials. Leakage current measurements were used to study the introduction and characteristics of these impurities, as such experiments reveal the mobile nature of these defects. In particular, we found that copper, which acts as a hole trap, introduces a positively charged center that diffuses and drifts readily in typical device environments. These measurements suggest that Cu, and related impurities like silver, may be one of the leading causes of HgI{sub 2} detector failures.

  20. Process and system for removing impurities from a gas

    SciTech Connect

    Henningsen, Gunnar; Knowlton, Teddy Merrill; Findlay, John George; Schlather, Jerry Neal; Turk, Brian S

    2014-04-15

    A fluidized reactor system for removing impurities from a gas and an associated process are provided. The system includes a fluidized absorber for contacting a feed gas with a sorbent stream to reduce the impurity content of the feed gas; a fluidized solids regenerator for contacting an impurity loaded sorbent stream with a regeneration gas to reduce the impurity content of the sorbent stream; a first non-mechanical gas seal forming solids transfer device adapted to receive an impurity loaded sorbent stream from the absorber and transport the impurity loaded sorbent stream to the regenerator at a controllable flow rate in response to an aeration gas; and a second non-mechanical gas seal forming solids transfer device adapted to receive a sorbent stream of reduced impurity content from the regenerator and transfer the sorbent stream of reduced impurity content to the absorber without changing the flow rate of the sorbent stream.

  1. Development of Impurity Profiling Methods Using Modern Analytical Techniques.

    PubMed

    Ramachandra, Bondigalla

    2017-01-02

    This review gives a brief introduction about the process- and product-related impurities and emphasizes on the development of novel analytical methods for their determination. It describes the application of modern analytical techniques, particularly the ultra-performance liquid chromatography (UPLC), liquid chromatography-mass spectrometry (LC-MS), high-resolution mass spectrometry (HRMS), gas chromatography-mass spectrometry (GC-MS) and high-performance thin layer chromatography (HPTLC). In addition to that, the application of nuclear magnetic resonance (NMR) spectroscopy was also discussed for the characterization of impurities and degradation products. The significance of the quality, efficacy and safety of drug substances/products, including the source of impurities, kinds of impurities, adverse effects by the presence of impurities, quality control of impurities, necessity for the development of impurity profiling methods, identification of impurities and regulatory aspects has been discussed. Other important aspects that have been discussed are forced degradation studies and the development of stability indicating assay methods.

  2. 40 CFR 158.340 - Discussion of formation of impurities.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... and products produced by an integrated system. (1) Each impurity associated with the active ingredient...) Products not produced by an integrated system. Each impurity associated with the active ingredient...

  3. The Question of Impurities in Macromolecule Crystal Quality Improvement in Microgravity

    NASA Technical Reports Server (NTRS)

    Judge, Russell A.; Snell, Edward H.; Pusey, Marc L.; Sportiello, Michael G.; Todd, Paul; Bellamy, Henry; Borgstahl, Gloria E.; Pokros, Matthew; Cassanto, John M.

    2000-01-01

    While macromolecule impurities may affect crystal size and morphology the over-riding question is how do macromolecule impurities effect crystal X-ray quality and diffraction resolution. In the case of chicken egg white lysozyme previous researchers have reported that crystals grown in the presence of ovalbumin, ovotransferrin, and turkey egg white lysozyme show no difference in diffraction resolution compared to those grown in pure solutions. One impurity however, a naturally occurring lysozyme dimer, does negatively impact the X-ray crystal properties. For this impurity it has been reported that crystal quality improvement in microgravity may be due to improved impurity partitioning during crystallization. In this study we have examined the incorporation of the dimer into lysozyme crystals, both on the ground and in microgravity experiments, and have performed detailed X-ray analysis of the crystals using a new technique for finely probing the mosaicity of the crystal at the Stanford Synchrotron Radiation Laboratory. Dimer partitioning was not significantly different in microgravity compared to the ground based experiments, although it is significantly better than that previously reported in microgravity. Mosaicity analysis of pure crystals, 1422 indexed reflections (microgravity) and 752 indexed reflections (ground), gave average results of 0.0066 and 0.0092 degrees (FWHM) respectively. The microgravity crystals also provided an increased signal to noise. Dimer incorporation increased the average mosaicity in microgravity but not on the ground. However, dimer incorporation did greatly reduce the resolution limit in both ground and microgravity grown crystals. The data is being treated anisotropically to explore these effects. These results indicate that impurity effects in microgravity are complex and that the conditions or techniques employed may greatly affect the role of impurities.

  4. Parallel Impurity Spreading During Massive Gas Injection

    NASA Astrophysics Data System (ADS)

    Izzo, V. A.

    2016-10-01

    Extended-MHD simulations of disruption mitigation in DIII-D demonstrate that both pre-existing islands (locked-modes) and plasma rotation can significantly influence toroidal spreading of impurities following massive gas injection (MGI). Given the importance of successful disruption mitigation in ITER and the large disparity in device parameters, empirical demonstrations of disruption mitigation strategies in present tokamaks are insufficient to inspire unreserved confidence for ITER. Here, MHD simulations elucidate how impurities injected as a localized jet spread toroidally and poloidally. Simulations with large pre-existing islands at the q = 2 surface reveal that the magnetic topology strongly influences the rate of impurity spreading parallel to the field lines. Parallel spreading is largely driven by rapid parallel heat conduction, and is much faster at low order rational surfaces, where a short parallel connection length leads to faster thermal equilibration. Consequently, the presence of large islands, which alter the connection length, can slow impurity transport; but the simulations also show that the appearance of a 4/2 harmonic of the 2/1 mode, which breaks up the large islands, can increase the rate of spreading. This effect is seen both for simulations with spontaneously growing and directly imposed 4/2 modes. Given the prevalence of locked-modes as a cause of disruptions, understanding the effect of large islands is of particular importance. Simulations with and without islands also show that rotation can alter impurity spreading, even reversing the predominant direction of spreading, which is toward the high-field-side in the absence of rotation. Given expected differences in rotation for ITER vs. DIII-D, rotation effects are another important consideration when extrapolating experimental results. Work supported by US DOE under DE-FG02-95ER54309.

  5. Distribution Coefficients of Impurities in Metals

    NASA Astrophysics Data System (ADS)

    Pearce, J. V.

    2014-04-01

    Impurities dissolved in very pure metals at the level of parts per million often cause an elevation or depression of the freezing temperature of the order of millikelvins. This represents a significant contribution to the uncertainty of standard platinum resistance thermometer calibrations. An important parameter for characterizing the behavior of impurities is the distribution coefficient , which is the ratio of the solid solubility to liquid solubility. A knowledge of for a given binary system is essential for contemporary methods of evaluating or correcting for the effect of impurities, and it is therefore of universal interest to have the most complete set of values possible. A survey of equilibrium values of (in the low concentration limit) reported in the literature for the International Temperature Scale of 1990 fixed points of Hg, Ga, In, Sn, Zn, Al, Au, Ag, and Cu is presented. In addition, thermodynamic calculations of using MTDATA are presented for 170 binary systems. In total, the combined values of from all available sources for 430 binary systems are presented. In addition, by considering all available values of for impurities in 25 different metal solvents (1300 binary systems) enough data are available to characterize patterns in the value of for a given impurity as a function of its position in the periodic table. This enables prediction of for a significant number of binary systems for which data and calculations are unavailable. By combining data from many sources, values of for solutes (atomic number from 1 to 94) in ITS-90 fixed points from Hg to Cu are suggested, together with some tentative predicted values where literature data and calculations are unavailable.

  6. The Potts model on a Bethe lattice with nonmagnetic impurities

    SciTech Connect

    Semkin, S. V. Smagin, V. P.

    2015-10-15

    We have obtained a solution for the Potts model on a Bethe lattice with mobile nonmagnetic impurities. A method is proposed for constructing a “pseudochaotic” impurity distribution by a vanishing correlation in the arrangement of impurity atoms for the nearest sites. For a pseudochaotic impurity distribution, we obtained the phase-transition temperature, magnetization, and spontaneous magnetization jumps at the phase-transition temperature.

  7. Divertor impurity sources; effects of hot surfaces and thin films on impurity production

    NASA Astrophysics Data System (ADS)

    Stamp, M. F.; Andrew, P.; Brezinsek, S.; Huber, A.; JET EFDA Contributors

    2005-03-01

    Strong continuum emission has been observed from divertor tiles at visible wavelengths and identified as Planck radiation from surfaces with temperatures of typically ˜ 2600 K. Such hot spots (which are not tile edges) can persist for several seconds and are more common at the inner divertor, than the outer. Surprisingly, these hot spots do not usually produce significant impurity fluxes. In contrast, ELMs may produce a significant enhancement of impurity fluxes, depending on strike point location and ELM size.

  8. Overcoming the Limitations of the SIE and OME Methods in Assessing the Effects of Impurities in Temperature Fixed Points

    NASA Astrophysics Data System (ADS)

    Fahr, M.; Cundy, D. S.

    2015-08-01

    Impurities are still among the primary concerns regarding the realization of many fixed points of the International Temperature Scale (ITS-90). Several methods have been suggested to correct for these effects. The most promising strategy, with regard to the achievable uncertainty level, is the `sum of the individual estimates' (SIE) method. It involves a chemical analysis of the material and a calculation of each of the detected chemical species' effect on the phase-transition temperature of the fixed-point substance. This correction can be accurate only if all the detected impurities are completely dissolved. Given the recent evidence for insoluble impurities in metal fixed points, this strategy needs to be modified; otherwise, it may lead to an inaccurate estimation of the impurity-related effect on the fixed-point temperature. In this article, a correction method is set out that reflects the crucial distinction between soluble, insoluble, and partially soluble impurities. This `sum of the individual estimates for the dissolved species' (SIEDS) method starts from a chemical analysis but takes into account only the dissolved particles. For this purpose, different types of substances are considered as possible dissolved impurities and are discussed from a chemical point of view. For those impurities where data are insufficient, only an uncertainty estimation is possible. For this purpose, the `overall maximum estimate of the dissolved species' (OMEDS) method is derived from the SIEDS method as the new counterpart to the well-known `overall maximum estimate' (OME) method.

  9. Monte Carlo method for magnetic impurities in metals

    NASA Technical Reports Server (NTRS)

    Hirsch, J. E.; Fye, R. M.

    1986-01-01

    The paper discusses a Monte Carlo algorithm to study properties of dilute magnetic alloys; the method can treat a small number of magnetic impurities interacting wiith the conduction electrons in a metal. Results for the susceptibility of a single Anderson impurity in the symmetric case show the expected universal behavior at low temperatures. Some results for two Anderson impurities are also discussed.

  10. Shape of impurity electronic absorption bands in nematic liquid crystal

    SciTech Connect

    Aver`yanov, E.M.

    1994-11-01

    The impurity-matrix anisotropic static intermolecular interactions, orientation-statistical properties, and electronic structure of uniaxial impurity molecules are shown to have a significant influence on spectral moments of the electronic absorption bands of impurities in the nematic liquid crystal. 14 refs., 3 figs.

  11. Impurity profiling of ecstasy tablets seized in Hong Kong by gas chromatography-mass spectrometry.

    PubMed

    Cheng, Jack Yuk Ki; Chan, Man Fai; Chan, Tai Wai; Hung, Mei Yuen

    2006-10-16

    In Hong Kong, ecstasy tablets are more commonly known as "Fing Tau Yuen", literally meaning "Shake Head Pills". The tablets contain mainly amphetamine-type stimulants (ATS) including 3,4-methylenedioxymethamphetamine (MDMA), 3,4-methylenedioxyamphetamine (MDA), methamphetamine (MA) and/or ketamine. Adulterant such as caffeine was also detected in the tablets. This paper reports a study on the impurity profiles of ecstasy tablets from 89 seizures in Hong Kong from 2002 to early 2004. Tablet samples were extracted by diethyl ether under alkaline condition and then analyzed by gas GC-MS. The chromatograms obtained were compared. A total of 19 identified impurities were selected as markers for impurity profiling. They are different precursors, intermediates and by-products. The data matrices were examined by hierarchical cluster analysis (HCA), and then the ecstasy tablets were classified into different groups. Cluster analysis of ecstasy tablets is shown to be capable of providing intelligence on clandestine laboratory networks.

  12. Preliminary Effects of Real-World Factors on the Recovery and Exploitation of Forensic Impurity Profiles of a Nerve-Agent Simulant from Office Media

    SciTech Connect

    Fraga, Carlos G.; Sego, Landon H.; Hoggard, Jamin C.; Perez Acosta, Gabriel A.; Viglino, Emilie A.; Wahl, Jon H.; Synovec, Robert E.

    2012-12-28

    Dimethyl methylphosphonate (DMMP) was used as a chemical threat agent (CTA) simulant for a first look at the effects of real-world factors on the recovery and exploitation of a CTA’s impurity profile for source matching. Four stocks of DMMP having different impurity profiles were disseminated as aerosols onto cotton, painted wall board, and nylon coupons according to a thorough experimental design. The DMMP-exposed coupons were then solvent extracted and analyzed for DMMP impurities by comprehensive 2-D gas chromatography/mass spectrometry (GC×GC/MS). The similarities between the coupon DMMP impurity profiles and the known (reference) DMMP profiles were measured by dot products of the coupon profiles and known profiles and by score values obtained from principal component analysis. One stock, with a high impurity-profile selectivity value of 0.9 out of 1, had 100% of its respective coupons correctly classified and no false positives from other coupons. Coupons from the other three stocks with low selectivity values (0.0073, 0.012, and 0.018) could not be sufficiently distinguished from one another for reliable matching to their respective stocks. The results from this work support that: (1) extraction solvents, if not appropriately selected, can have some of the same impurities present in a CTA reducing a CTA’s useable impurity profile, (2) low selectivity among a CTA’s known impurity profiles will likely make definitive source matching impossible in some real-world conditions, (3) no detrimental chemical-matrix interference was encountered during the analysis of actual office media, (4) a short elapsed time between release and sample storage is advantageous for the recovery of the impurity profile because it minimizes volatilization of forensic impurities, and (5) forensic impurity profiles weighted towards higher volatility impurities are more likely to be altered by volatilization following CTA exposure.

  13. Preliminary effects of real-world factors on the recovery and exploitation of forensic impurity profiles of a nerve-agent simulant from office media.

    PubMed

    Fraga, Carlos G; Sego, Landon H; Hoggard, Jamin C; Acosta, Gabriel A Pérez; Viglino, Emilie A; Wahl, Jon H; Synovec, Robert E

    2012-12-28

    Dimethyl methylphosphonate (DMMP) was used as a chemical threat agent (CTA) simulant for a first look at the effects of real-world factors on the recovery and exploitation of a CTA's impurity profile for source matching. Four stocks of DMMP having different impurity profiles were disseminated as aerosols onto cotton, painted wall board, and nylon coupons according to a thorough experimental design. The DMMP-exposed coupons were then solvent extracted and analyzed for DMMP impurities by comprehensive 2D gas chromatography/mass spectrometry (GC×GC/MS). The similarities between the coupon DMMP impurity profiles and the known (reference) DMMP profiles were measured by dot products of the coupon profiles and known profiles and by score values obtained from principal component analysis. One stock, with a high impurity-profile selectivity value of 0.9 out of 1, had 100% of its respective coupons correctly classified and no false positives from other coupons. Coupons from the other three stocks with low selectivity values (0.0073, 0.012, and 0.018) could not be sufficiently distinguished from one another for reliable matching to their respective stocks. The results from this work support that: (1) extraction solvents, if not appropriately selected, can have some of the same impurities present in a CTA reducing a CTA's useable impurity profile, (2) low selectivity among a CTA's known impurity profiles will likely make definitive source matching impossible in some real-world conditions, (3) no detrimental chemical-matrix interference was encountered during the analysis of actual office media, (4) a short elapsed time between release and sample storage is advantageous for the recovery of the impurity profile because it minimizes volatilization of forensic impurities, and (5) forensic impurity profiles weighted toward higher volatility impurities are more likely to be altered by volatilization following CTA exposure.

  14. Protein Crystal Growth Dynamics and Impurity Incorporation

    NASA Technical Reports Server (NTRS)

    Chernov, Alex A.; Thomas, Bill

    2000-01-01

    The general concepts and theories of crystal growth are proven to work for biomolecular crystallization. This allowed us to extract basic parameters controlling growth kinetics - free surface energy, alpha, and kinetic coefficient, beta, for steps. Surface energy per molecular site in thermal units, alpha(omega)(sup 2/3)/kT approx. = 1, is close to the one for inorganic crystals in solution (omega is the specific molecular volume, T is the temperature). Entropic restrictions on incorporation of biomolecules into the lattice reduce the incorporation rate, beta, by a factor of 10(exp 2) - 10(exp 3) relative to inorganic crystals. A dehydration barrier of approx. 18kcal/mol may explain approx. 10(exp -6) times difference between frequencies of adding a molecule to the lattice and Brownian attempts to do so. The latter was obtained from AFM measurements of step and kink growth rates on orthorhombic lysozyme. Protein and many inorganic crystals typically do not belong to the Kossel type, thus requiring a theory to account for inequivalent molecular positions within its unit cell. Orthorhombic lysozyme will serve as an example of how to develop such a theory. Factors deteriorating crystal quality - stress and strain, mosaicity, molecular disorder - will be reviewed with emphasis on impurities. Dimers in ferritin and lysozyme and acetylated lysozyme, are microheterogeneous i.e. nearly isomorphic impurities that are shown to be preferentially trapped by tetragonal lysozyme and ferritin crystals, respectively. The distribution coefficient, K defined as a ratio of the (impurity/protein) ratios in crystal and in solution is a measure of trapping. For acetylated lysoyzme, K = 2.15 or, 3.42 for differently acetylated forms, is independent of both the impurity and the crystallizing protein concentration. The reason is that impurity flux to the surface is constant while the growth rate rises with supersaturation. About 3 times lower dimer concentration in space grown ferritin and

  15. Pharmaceutical impurities and degradation products: uses and applications of NMR techniques.

    PubMed

    Maggio, Rubén M; Calvo, Natalia L; Vignaduzzo, Silvana E; Kaufman, Teodoro S

    2014-12-01

    Current standards and regulations demand the pharmaceutical industry not only to produce highly pure drug substances, but to achieve a thorough understanding of the impurities accompanying their manufactured drug substances and products. These challenges have become important goals of process chemistry and have steadily stimulated the search of impurities after accelerated or forced degradation procedures. As a result, impurity profiling is one of the most attractive, active and relevant fields of modern pharmaceutical analysis. This activity includes the identification, structural elucidation and quantitative determination of impurities and degradation products in bulk drugs and their pharmaceutical formulations. Nuclear magnetic resonance (NMR) spectroscopy has evolved into an irreplaceable approach for pharmaceutical quality assessment, currently playing a critical role in unequivocal structure identification as well as structural confirmation (qualitative detection), enabling the understanding of the underlying mechanisms of the formation of process and/or degradation impurities. NMR is able to provide qualitative information without the need of standards of the unknown compounds and multiple components can be quantified in a complex sample without previous separation. When coupled to separative techniques, the resulting hyphenated methodologies enhance the analytical power of this spectroscopy to previously unknown levels. As a result, and by enabling the implementation of rational decisions regarding the identity and level of impurities, NMR contributes to the goal of making better and safer medicines. Herein are discussed the applications of NMR spectroscopy and its hyphenated derivate techniques to the study of a wide range pharmaceutical impurities. Details on the advantages and disadvantages of the methodology and well as specific challenges with regards to the different analytical problems are also presented.

  16. Power Radiated from ITER and CIT by Impurities

    DOE R&D Accomplishments Database

    Cummings, J.; Cohen, S. A.; Hulse, R.; Post, D. E.; Redi, M. H.; Perkins, J.

    1990-07-01

    The MIST code has been used to model impurity radiation from the edge and core plasmas in ITER and CIT. A broad range of parameters have been varied, including Z{sub eff}, impurity species, impurity transport coefficients, and plasma temperature and density profiles, especially at the edge. For a set of these parameters representative of the baseline ITER ignition scenario, it is seen that impurity radiation, which is produced in roughly equal amounts by the edge and core regions, can make a major improvement in divertor operation without compromising core energy confinement. Scalings of impurity radiation with atomic number and machine size are also discussed.

  17. Incorporation of impurity to a tetragonal lysozyme crystal

    NASA Astrophysics Data System (ADS)

    Kurihara, Kazuo; Miyashita, Satoru; Sazaki, Gen; Nakada, Toshitaka; Durbin, Stephen D.; Komatsu, Hiroshi; Ohba, Tetsuhiko; Ohki, Kazuo

    1999-01-01

    Concentration of a phosphor-labeled impurity (ovalbumin) incorporated into protein (hen egg white lysozyme) crystals during growth was measured by fluorescence.This technique enabled us to measure the local impurity concentration in a crystal quantitatively. Impurity concentration increased with growth rate, which could not be explained by two conventional models (equilibrium adsorption model and Burton-Prim-Slichter model); a modified model is proposed. Impurity concentration also increased with the pH of the solution. This result is discussed considering the electrostatic interaction between the impurity and the crystallizing species.

  18. Impurities effect on the swelling of neutron irradiated beryllium

    SciTech Connect

    Donne, M.D.; Scaffidi-Argentina, F.

    1995-09-01

    An important factor controlling the swelling behaviour of fast neutron irradiated beryllium is the impurity content which can strongly affect both the surface tension and the creep strength of this material. Being the volume swelling of the old beryllium (early sixties) systematically higher than that of the more modem one (end of the seventies), a sensitivity analysis with the aid of the computer code ANFIBE (ANalysis of Fusion Irradiated BEryllium) to investigate the effect of these material properties on the swelling behaviour of neutron irradiated beryllium has been performed. Two sets of experimental data have been selected: the first one named Western refers to quite recently produced Western beryllium, whilst the second one, named Russian refers to relatively old (early sixties) Russian beryllium containing a higher impurity rate than the Western one. The results obtained with the ANFIBE Code were assessed by comparison with experimental data and the used material properties were compared with the data available in the literature. Good agreement between calculated and measured values has been found.

  19. Kinetic neoclassical calculations of impurity radiation profiles

    SciTech Connect

    Stotler, D. P.; Battaglia, D. J.; Hager, R.; Kim, K.; Koskela, T.; Park, G.; Reinke, M. L.

    2016-12-30

    Modifications of the drift-kinetic transport code XGC0 to include the transport, ionization, and recombination of individual charge states, as well as the associated radiation, are described. The code is first applied to a simulation of an NSTX H-mode discharge with carbon impurity to demonstrate the approach to coronal equilibrium. The effects of neoclassical phenomena on the radiated power profile are examined sequentially through the activation of individual physics modules in the code. Orbit squeezing and the neoclassical inward pinch result in increased radiation for temperatures above a few hundred eV and changes to the ratios of charge state emissions at a given electron temperature. As a result, analogous simulations with a neon impurity yield qualitatively similar results.

  20. Kinetic neoclassical calculations of impurity radiation profiles

    DOE PAGES

    Stotler, D. P.; Battaglia, D. J.; Hager, R.; ...

    2016-12-30

    Modifications of the drift-kinetic transport code XGC0 to include the transport, ionization, and recombination of individual charge states, as well as the associated radiation, are described. The code is first applied to a simulation of an NSTX H-mode discharge with carbon impurity to demonstrate the approach to coronal equilibrium. The effects of neoclassical phenomena on the radiated power profile are examined sequentially through the activation of individual physics modules in the code. Orbit squeezing and the neoclassical inward pinch result in increased radiation for temperatures above a few hundred eV and changes to the ratios of charge state emissions atmore » a given electron temperature. As a result, analogous simulations with a neon impurity yield qualitatively similar results.« less

  1. Global migration of impurities in tokamaks

    NASA Astrophysics Data System (ADS)

    Hakola, A.; Airila, M. I.; Björkas, C.; Borodin, D.; Brezinsek, S.; Coad, J. P.; Groth, M.; Järvinen, A.; Kirschner, A.; Koivuranta, S.; Krieger, K.; Kurki-Suonio, T.; Likonen, J.; Lindholm, V.; Makkonen, T.; Mayer, M.; Miettunen, J.; Müller, H. W.; Neu, R.; Petersson, P.; Rohde, V.; Rubel, M.; Widdowson, A.; the ASDEX Upgrade Team; Contributors, JET-EFDA

    2013-12-01

    The migration of impurities in tokamaks has been studied with the help of tracer-injection (13C and 15N) experiments in JET and ASDEX Upgrade since 2001. We have identified a common pattern for the migrating particles: scrape-off layer flows drive impurities from the low-field side towards the high-field side of the vessel. Migration is also sensitive to the density and magnetic configuration of the plasma, and strong local variations in the resulting deposition patterns require 3D treatment of the migration process. Moreover, re-erosion of the deposited particles has to be taken into account to properly describe the migration process during steady-state operation of the tokamak.

  2. Spin pumping through magnetic impurity effect

    NASA Astrophysics Data System (ADS)

    Deng, Wei-Yin; Sheng, Li; Xing, Ding-Yu

    2015-08-01

    We propose a simple adiabatic quantum spin pump to generate pure spin current. The spin pump is driven by an ac gate voltage and a time-dependent magnetic impurity potential. It is found that the total pumped spin per cycle exhibits oscillations, whose magnitude decays exponentially with changing strength of the impurity potential. The proposed method may be useful for spintronic applications. Project supported by the State Key Program for Basic Research of China (Grant Nos. 2015CB921202, 2014CB921103, 2011CB922103, and 2010CB923400), the National Natural Science Foundation of China (Grant Nos. 11225420, 11174125, and 91021003), and the Priority Academic Program Development of Jiangsu Higher Education Institutions.

  3. Phase Shift of the Asymmetric Friedel-Anderson Impurity

    NASA Astrophysics Data System (ADS)

    Bergmann, Gerd

    2013-04-01

    The ground state of the asymmetric Friedel-Anderson (aFA) impurity is calculated within the FAIR (Friedel artificially inserted resonance) theory. Its properties are investigated by means of the fidelity with different Friedel impurities and by its Friedel oscillations. Friedel impurities with a specific phase shift δ at the Fermi level possess a finite fidelity with the aFA impurity. This phase shift δ determines other properties of the aFA impurity such as the amplitude and displacement of its Friedel oscillations. One can find the parameters of a Friedel impurity which coincides in its Friedel oscillations almost perfectly with the aFA impurity, thereby avoiding an Anderson orthogonality catastrophe.

  4. Electrophobic interaction induced impurity clustering in metals

    SciTech Connect

    Zhou, Hong-Bo; Wang, Jin-Long; Jiang, W.; Lu, Guang-Hong; Aguiar, J. A.; Liu, Feng

    2016-10-01

    We introduce the concept of electrophobic interaction, analogous to hydrophobic interaction, for describing the behavior of impurity atoms in a metal, a 'solvent of electrons'. We demonstrate that there exists a form of electrophobic interaction between impurities with closed electron shell structure, which governs their dissolution behavior in a metal. Using He, Be and Ar as examples, we predict by first-principles calculations that the electrophobic interaction drives He, Be or Ar to form a close-packed cluster with a clustering energy that follows a universal power-law scaling with the number of atoms (N) dissolved in a free electron gas, as well as W or Al lattice, as Ec is proportional to (N2/3-N). This new concept unifies the explanation for a series of experimental observations of close-packed inert-gas bubble formation in metals, and significantly advances our fundamental understanding and capacity to predict the solute behavior of impurities in metals, a useful contribution to be considered in future material design of metals for nuclear, metallurgical, and energy applications.

  5. Discovered triethylamine as impurity in synthetic DNAs for and by electrochemiluminescence techniques.

    PubMed

    Xu, Yuanhong; Liu, Yaqing; Zhu, Jinbo; Wang, Erkang

    2013-11-15

    The purity of the synthetic oligonucleotides is very important because it is crucial for the accuracy of the established biological assays. Herein, it was discovered that one impurity in synthetic DNAs might affect the experiment results of electrochemiluminescence (ECL) detection techniques, which was never reported before. According to a series of experiments using ECL detection methods combined with capillary electrophoresis (CE) (CE-ECL), the impurity was identified as triethylamine (TEA), which came from incomplete removal after HPLC purification of synthetic DNAs. Moreover, CE-ECL technique was for the first time to be proposed for discovering, identifying and sensitive determining the possible impurity such as TEA in various DNA samples, which was usually neglected by other detection techniques for purification quality control of synthetic oligonucleotides. A detection range from 5.00×10(-10) to 2.00×10(-5) M with a detection limit as low as 50 nM (S/N=3) was reached for TEA. Through further designed ECL methods and data analysis, situations which would be really affected by the impurity of TEA were studied. To avoid or eliminate the impact of the TEA impurity on ECL applications, judgment basis for choosing purification ways was discussed according to individual requirements.

  6. Impurity transport in enhanced confinement regimes in RFX-mod Reversed Field Pinch

    NASA Astrophysics Data System (ADS)

    Carraro, Lorella; Menmuir, Sheena; Fassina, Alessandro

    2010-11-01

    The results of impurity transport studies in RFX-mod enhanced confinement quasi-single helicity (QSH) and single helical axis (SHAx) regimes are presented and discussed. The impurity diffusion coefficient and pinch velocity are obtained through comparing experimental emission pattern (line emission and SXR time evolutions, SXR profiles) with the results of a 1-D impurity transport code. Previous analysis [S. Menmuir et al. to be published in Plasma Phys. Contr. Fus.] of impurity transport in RFX-mod standard discharges showed that the impurity pinch velocity, always directed outwards, features a barrier with high values around r/a = 0.8, where the diffusion coefficient decreases by one order of magnitude. In the QSH regime, the transition region in D and v is more internal and the barrier in velocity is wider and stronger. New results have been obtained in experiments with Ni laser blow-off (LBO) injection in high current discharges (Ip>1.5 MA) with long lasting QSH, to better characterize the Ni behavior inside the helical magnetic topology.

  7. Light impurity transport in I-mode in Alcator C-Mod

    NASA Astrophysics Data System (ADS)

    Rowan, W. L.; Bespamyatnov, I. O.; Hatch, D. R.; Horton, W. L.; Liao, K. T.

    2014-10-01

    The I-mode hallmarks are H-mode-like electron temperature pedestal and energy confinement simultaneous with L-mode-like density pedestal and particle confinement. The I-mode is observed over a wide range of plasma parameters and is robust. As might be expected from the particle confinement observation, accumulation of naturally-occuring impurities is reduced compared to H-mode. Heavy impurity measurements confirm the observation of L-mode-like particle confinement. In the results reported here for light impurities, I-mode impurity profiles are compared with both H- and L- mode profiles for helium and boron with an emphasis on core confinement. We search for the dependence of the impurity density gradient scale lengths on the main ion density scale length and temperature scale length, the Zeff the collisionality, as well as on total radiation loss, stored energy, and global confinement. The results allow comparisons among discharge modes, as well as comparison to other devices, and turbulence predictions. The data analysis is compared with gyrokinetic simulations using the GENE code. Supported by USDoE award DE-FG03-96ER-54373.

  8. Impurity content of reduced-activation ferritic steels and a vanadium alloy

    SciTech Connect

    Klueh, R.L.; Grossbeck, M.L.; Bloom, E.E.

    1997-04-01

    Inductively coupled plasma mass spectrometry was used to analyze a reduced-activation ferritic/martensitic steel and a vanadium alloy for low-level impurities that would compromise the reduced-activation characteristics of these materials. The ferritic steel was from the 5-ton IEA heat of modified F82H, and the vanadium alloy was from a 500-kg heat of V-4Cr-4Ti. To compare techniques for analysis of low concentrations of impurities, the vanadium alloy was also examined by glow discharge mass spectrometry. Two other reduced-activation steels and two commercial ferritic steels were also analyzed to determine the difference in the level of the detrimental impurities in the IEA heat and steels for which no extra effort was made to restrict some of the tramp impurities. Silver, cobalt, molybdenum, and niobium proved to be the tramp impurities of most importance. The levels observed in these two materials produced with present technology exceeded the limits for low activation for either shallow land burial or recycling. The chemical analyses provide a benchmark for the improvement in production technology required to achieve reduced activation; they also provide a set of concentrations for calculating decay characteristics for reduced-activation materials. The results indicate the progress that has been made and give an indication of what must still be done before the reduced-activation criteria can be achieved.

  9. Synthesis of the impurities during the manufacture of bulk drug midazolam and separation of these impurities by HPLC.

    PubMed

    Sati, Bhawana; Sati, Hemlata; Saklani, Sarla; Bhatt, Prakash Chandra; Mishra, Ravinesh

    2013-09-01

    During the manufacture of bulk drug midazolam various impurities arised that can be the related products or degradation products. Structures of eight impurities that can arise during the manufacture of bulk drug midazolam were proposed. In the present work, synthesis of these impurities and their characterization by different spectroscopic techniques have been done. HPLC method was developed for the separation of impurities from the bulk drug. The developed method separates midazolam from its eight impurities/degradation products within a run time of 45 min.

  10. Motion of a distinguishable Impurity in the Bose gas: Arrested expansion without a lattice and impurity snaking

    SciTech Connect

    Neil J. Robinson; Caux, Jean -Sebastien; Konik, Robert M.

    2016-04-07

    We consider the real-time dynamics of an initially localized distinguishable impurity injected into the ground state of the Lieb-Liniger model. Focusing on the case where integrability is preserved, we numerically compute the time evolution of the impurity density operator in regimes far from analytically tractable limits. We find that the injected impurity undergoes a stuttering motion as it moves and expands. For an initially stationary impurity, the interaction-driven formation of a quasibound state with a hole in the background gas leads to arrested expansion—a period of quasistationary behavior. In conclusion, when the impurity is injected with a finite center-of-mass momentum, the impurity moves through the background gas in a snaking manner, arising from a quantum Newton’s cradlelike scenario where momentum is exchanged back and forth between the impurity and the background gas.

  11. Motion of a distinguishable Impurity in the Bose gas: Arrested expansion without a lattice and impurity snaking

    DOE PAGES

    Neil J. Robinson; Caux, Jean -Sebastien; Konik, Robert M.

    2016-04-07

    We consider the real-time dynamics of an initially localized distinguishable impurity injected into the ground state of the Lieb-Liniger model. Focusing on the case where integrability is preserved, we numerically compute the time evolution of the impurity density operator in regimes far from analytically tractable limits. We find that the injected impurity undergoes a stuttering motion as it moves and expands. For an initially stationary impurity, the interaction-driven formation of a quasibound state with a hole in the background gas leads to arrested expansion—a period of quasistationary behavior. In conclusion, when the impurity is injected with a finite center-of-mass momentum,more » the impurity moves through the background gas in a snaking manner, arising from a quantum Newton’s cradlelike scenario where momentum is exchanged back and forth between the impurity and the background gas.« less

  12. Motion of a Distinguishable Impurity in the Bose Gas: Arrested Expansion Without a Lattice and Impurity Snaking

    NASA Astrophysics Data System (ADS)

    Robinson, Neil J.; Caux, Jean-Sébastien; Konik, Robert M.

    2016-04-01

    We consider the real-time dynamics of an initially localized distinguishable impurity injected into the ground state of the Lieb-Liniger model. Focusing on the case where integrability is preserved, we numerically compute the time evolution of the impurity density operator in regimes far from analytically tractable limits. We find that the injected impurity undergoes a stuttering motion as it moves and expands. For an initially stationary impurity, the interaction-driven formation of a quasibound state with a hole in the background gas leads to arrested expansion—a period of quasistationary behavior. When the impurity is injected with a finite center-of-mass momentum, the impurity moves through the background gas in a snaking manner, arising from a quantum Newton's cradlelike scenario where momentum is exchanged back and forth between the impurity and the background gas.

  13. Quantifying Main Trends in Lysozyme Nucleation: The Effect of Precipitant Concentration and Impurities

    NASA Technical Reports Server (NTRS)

    Burke, Michael W.; Judge, Russell A.; Pusey, Marc L.; Rose, M. Franklin (Technical Monitor)

    2000-01-01

    Full factorial experiment design incorporating multi-linear regression analysis of the experimental data allows the main trends and effects to be quickly identified while using only a limited number of experiments. These techniques were used to identify the effect of precipitant concentration and the presence of an impurity, the physiological lysozyme dimer, on the nucleation rate and crystal dimensions of the tetragonal form of chicken egg white lysozyme. Increasing precipitant concentration was found to decrease crystal numbers, the magnitude of this effect also depending on the supersaturation. The presence of the dimer generally increased nucleation. The crystal axial ratio decreased with increasing precipitant concentration independent of impurity.

  14. Water Oxidation Catalysis by Co(II) Impurities in Co(III)4O4 Cubanes

    PubMed Central

    2015-01-01

    The observed water oxidation activity of the compound class Co4O4(OAc)4(Py–X)4 emanates from a Co(II) impurity. This impurity is oxidized to produce the well-known Co-OEC heterogeneous cobaltate catalyst, which is an active water oxidation catalyst. We present results from electron paramagnetic resonance spectroscopy, nuclear magnetic resonance line broadening analysis, and electrochemical titrations to establish the existence of the Co(II) impurity as the major source of water oxidation activity that has been reported for Co4O4 molecular cubanes. Differential electrochemical mass spectrometry is used to characterize the fate of glassy carbon at water oxidizing potentials and demonstrate that such electrode materials should be used with caution for the study of water oxidation catalysis. PMID:25407218

  15. Identification of impurities and statistical classification of methamphetamine hydrochloride drugs seized in the China

    PubMed Central

    Zhang, Jian Xin; Zhang, Da Ming; Han, Xu Guang

    2008-01-01

    A total of 48 methamphetamine hydrochloride samples from eight seizures were analyzed using gas chromatography–mass spectrometry (GC–MS) and a flame ionization detector (GC–FID). Major impurities detected include 1,2-dimethyl-3-phenylaziridine, Ephedrine/pseudoephedrine, 1,3-dimethyl-2-phenylnaphthalene, 1-benzyl-3-methylnaphthalene. These data are suggestive of ephedrine/pseudoephedrine as the main precursor of the methamphetamine hydrochloride samples seized during 2006–2007. Additionally the presence of 1,3-dimethyl-2-phenylnaphthalene, 1-benzyl-3-methylnaphthalene is indicative that six seizures were synthesized via the more specific ephedrine/hydriodic acid/red phosphorus method. In addition, five impurities were found for the first time in methamphetamine hydrochloride samples. Seventeen impurity peaks were selected from the GC–FID chromatograms. The peak areas of the selected peaks were then grouped for cluster analysis. PMID:19008060

  16. Determination of impurities and counterions of pharmaceuticals by capillary electromigration methods.

    PubMed

    Stěpánová, Sille; Kašička, Václav

    2014-08-01

    The review presents a survey of recent applications of high-performance capillary electromigration methods-capillary zone electrophoresis, nonaqueous capillary electrophoresis, capillary isotachophoresis, micellar electrokinetic chromatography, microemulsion electrokinetic chromatography and capillary electrochromatography-for the determination of impurities of pharmaceuticals, including chiral impurities, for the period 2007-2013. In addition, due to the missing evaluation of the determination of counterions of pharmaceuticals by capillary electromigration methods in the last 20 years, the publications dealing with this topic since 1995 are included in this review. General aspects of both these types of applications of capillary electromigration methods in pharmaceutical analysis are discussed, and detailed experimental conditions used for determination of various chemical impurities and counterions of many particular drugs are described.

  17. Statics and dynamics of atomic dark-bright solitons in the presence of impurities

    SciTech Connect

    Achilleos, V.; Frantzeskakis, D. J.; Kevrekidis, P. G.; Rothos, V. M.

    2011-11-15

    Adopting a mean-field description for a two-component atomic Bose-Einstein condensate, we study the statics and dynamics of dark-bright solitons in the presence of localized impurities. We use adiabatic perturbation theory to derive an equation of motion for the dark-bright soliton center. We show that, counterintuitively, an attractive (repulsive) delta-like impurity, acting solely on the bright-soliton component, induces an effective localized barrier (well) in the effective potential felt by the soliton; this way, dark-bright solitons are reflected from (transmitted through) attractive (repulsive) impurities. Our analytical results for the small-amplitude oscillations of solitons are found to be in good agreement with results obtained via a Bogoliubov-de Gennes analysis and direct numerical simulations.

  18. Dynamical critical behavior of the Ziff-Gulari-Barshad model with quenched impurities

    NASA Astrophysics Data System (ADS)

    de Andrade, M. F.; Figueiredo, W.

    2016-08-01

    The simplest model to explain the CO oxidation in some catalytic processes is the Ziff-Gulari-Barshad (ZGB) model. It predicts a continuous phase transition between an active phase and an absorbing phase composed of O atoms. By employing Monte Carlo simulations we investigate the dynamical critical behavior of the model as a function of the concentration of fixed impurities over the catalytic surface. By means of an epidemic analysis we calculate the critical exponents related to the survival probability Ps (t), the number of empty sites nv (t), and the mean square displacement R2 (t). We show that the critical exponents depend on the concentration of impurities over the lattice, even for small values of this quantity. We also show that the exponents do not belong to the Directed Percolation universality class and are in agreement with the Harris criterion since the quenched impurities behave as a weak disorder in the system.

  19. Spectroscopic methods for detection of impurities in water

    NASA Astrophysics Data System (ADS)

    Strashnikova, Natalia V.; Papiashvili, Nona; Cohen-Luria, Rivka; Mark, Shlomo; Shilon, Guy; Khankin, Daniel; Kalisky, Yehoshua; Kalisky, Ofra; Parola, Abraham H.

    2011-11-01

    Optical photoluminescence spectroscopic method for detection of impurities, hazardous materials, pesticides, and pollutants in water resources, both qualitatively and quantitatively, is presented. The method is based on synchronous fluorescence spectroscopy (SFS) of organic aromatic compounds, or poly-aromatic hydrocarbons (PAH), and is carried out by following simultaneously their excitation and emission spectra. The full excitation emission matrix (EEM) generated in this way provides a 2-D and 3-D fluorescence map of the tested sample and the diagonals through the axes origin provide the synchronous fluorescence spectra at a constant wavelengths differences between the emission and excitation wavelengths, thus enabling multitude components identification. This map contains all the relevant spectroscopic information of the tested sample, and serves as a unique "fingerprint" with a very specific and accurate identification. When compared with pre-determined spectra and calibration curves from a "databank", there is a one-toone correspondence between the image and the specific compound, and it can be identified accurately both qualitatively and quantitatively. This method offers several significant advantages, and it provides a sensitive (ppm detection level), accurate and simple spectroscopic tool to monitor impurities and pollutants in water. The design and performance of the spectrofluorimeter prototype, as well as the software development and analysis of chemical organic compounds and mixtures in water will be discussed in this paper.

  20. A mechanistic study of impurity segregation at silicon grain boundaries

    SciTech Connect

    Käshammer, Peter; Sinno, Talid

    2015-09-07

    The segregation behavior of carbon and oxygen atoms at various silicon grain boundaries was studied using a combination of atomistic simulation and analytical modeling. First, quasi-lattice Grand Canonical Monte Carlo simulations were used to compute segregation isotherms as a function of grain boundary type, impurity atom loading level, and temperature. Next, the atomistic results were employed to regress different analytical segregation models and extract thermodynamic and structural properties. The multilayer Brunauer–Emmett–Teller (BET) isotherm was found to quantitatively capture all the simulation conditions probed in this work, while simpler, single layer models such as the Langmuir-McLean model did not. Some of the BET parameters, namely, the binding free energy of the first adsorption layer and the impurity holding capacity of each layer, were tested for correlation with various measures of grain boundary structure and/or mechanical properties. It was found that certain measures of the atomistic stress distribution correlate strongly with the first-layer binding free energy for substitutional carbon atoms, while common grain boundary identifiers such as sigma value and energy density are not useful in this regard. Preliminary analysis of the more complex case of interstitial oxygen segregation showed that similar measures based on atomistic stress also may be useful here, but more systematic correlative studies are needed to develop a comprehensive picture.

  1. A mechanistic study of impurity segregation at silicon grain boundaries

    NASA Astrophysics Data System (ADS)

    Käshammer, Peter; Sinno, Talid

    2015-09-01

    The segregation behavior of carbon and oxygen atoms at various silicon grain boundaries was studied using a combination of atomistic simulation and analytical modeling. First, quasi-lattice Grand Canonical Monte Carlo simulations were used to compute segregation isotherms as a function of grain boundary type, impurity atom loading level, and temperature. Next, the atomistic results were employed to regress different analytical segregation models and extract thermodynamic and structural properties. The multilayer Brunauer-Emmett-Teller (BET) isotherm was found to quantitatively capture all the simulation conditions probed in this work, while simpler, single layer models such as the Langmuir-McLean model did not. Some of the BET parameters, namely, the binding free energy of the first adsorption layer and the impurity holding capacity of each layer, were tested for correlation with various measures of grain boundary structure and/or mechanical properties. It was found that certain measures of the atomistic stress distribution correlate strongly with the first-layer binding free energy for substitutional carbon atoms, while common grain boundary identifiers such as sigma value and energy density are not useful in this regard. Preliminary analysis of the more complex case of interstitial oxygen segregation showed that similar measures based on atomistic stress also may be useful here, but more systematic correlative studies are needed to develop a comprehensive picture.

  2. Theoretical explanation for strong poloidal impurity asymmetry in tokamak pedestals

    NASA Astrophysics Data System (ADS)

    Espinosa, Silvia

    2016-10-01

    Stronger impurity density in-out poloidal asymmetries than predicted by the most comprehensive neoclassical models have been measured in H-mode tokamak pedestals during the last decade. However, these pioneering theories neglect the impurity diamagnetic drift, while recent measurements indicate that it can be of the same order as the ExB drift that is retained. In order to keep both drifts self-consistently, stronger radial gradients of the impurity density must be allowed. As a result, radial impurity flow effects need to be included for the first time. These effects substantially alter the parallel impurity flow. The resulting modification in the impurity friction with the banana regime background ions then allows stronger poloidal variation of the impurity density, temperature and potential. Even the six-fold high field side accumulation of boron density measured on Alcator C-Mod can be explained without invoking anomalous transport. Moreover, the potential can no longer be assumed to be a flux function since the impurity density variation gives a poloidally varying potential that results in strong poloidal variation of the radial electric field. The fact that the magnitude of the negative radial electric field and the impurity temperature are both larger on the low field side is also correctly predicted. Finally, this pedestal neoclassical model with radial flows may provide insight on how to control impurity accumulation in JET. Supported by DOE Grant DE-FG0291ER54109 and La Caixa Fellowship.

  3. Quantification of potential impurities by a stability indicating UV-HPLC method in niacinamide active pharmaceutical ingredient.

    PubMed

    Thomas, Saji; Bharti, Amber; Tharpa, Kalsang; Agarwal, Ashutosh

    2012-02-23

    A sensitive, stability indicating reverse phase UV-HPLC method has been developed for the quantitative determination of potential impurities of niacinamide active pharmaceutical ingredient. Efficient chromatographic separation was achieved on C18 stationary phase in isocratic mode using simple mobile phase. Forced degradation study confirmed that the newly developed method was specific and selective to the degradation products. Major degradation of the drug substance was found to occur under oxidative stress conditions to form niacinamide N-oxide. The method was validated according to ICH guidelines with respect to specificity, precision, linearity and accuracy. Regression analysis showed correlation coefficient value greater than 0.999 for niacinamide and its six impurities. Detection limit of impurities was in the range of 0.003-0.005% indicating the high sensitivity of the newly developed method. Accuracy of the method was established based on the recovery obtained between 93.3% and 113.3% for all impurities.

  4. Potential impurities of anxiolytic drug, clobazam: Identification, synthesis and characterization using HPLC, LC-ESI/MS(n) and NMR.

    PubMed

    Kumar, Neeraj; Devineni, Subba Rao; Dubey, Shailendra Kumar; Kumar, Pramod

    2017-04-15

    During the optimization of process, eight impurities (CLB Imp-A to CLB Imp-H) were detected in few of the laboratory batches of clobazam, used as anxiolytic agent, in the range of 0.02-0.12% using gradient HPLC method with UV detection. On the basis of co-spiking analysis, six impurities (CLB Imp-A to -F) enumerated by European Pharmacopoeia, however, not reported in the earlier literature, have been harmonized and found to be two impurities are completely unknown (CLB Imp-G and -H). These two new impurities structures were presumed based on LC-ESI/MS(n) study as 8-chloro-1-methyl-5-phenyl-1,5-dihydro-3H-1,5-benzodiazepine-2,4-dione (CLB Imp-G) and 5-chloro-1-methyl-3-phenyl-1H-benzo[d]imidazol-2(3H)-one (CLB Imp-H). The presumed impurities structures were confirmed by their synthesis followed by the complete spectral analysis such as ESI-MS, 1D NMR ((1)H, (13)C and DEPT), 2D NMR (HSQC, HMBC and COSY) and IR, and chromatographic retention time profile. Identification, synthesis, structural characterization, prospects to the formation and controlling of these new impurities were described in detail and reported first in this paper.

  5. Entanglement in quantum impurity problems is nonperturbative

    NASA Astrophysics Data System (ADS)

    Saleur, H.; Schmitteckert, P.; Vasseur, R.

    2013-08-01

    We study the entanglement entropy of a region of length 2L with the remainder of an infinite one-dimensional gapless quantum system in the case where the region is centered on a quantum impurity. The coupling to this impurity is not scale invariant, and the physics involves a crossover between weak- and strong-coupling regimes. While the impurity contribution to the entanglement has been computed numerically in the past, little is known analytically about it, since in particular the methods of conformal invariance cannot be applied because of the presence of a crossover length. We show in this paper that the small coupling expansion of the entanglement entropy in this problem is quite generally plagued by strong infrared divergences, implying a nonperturbative dependence on the coupling. The large coupling expansion turns out to be better behaved, thanks to powerful results from the boundary CFT formulation and, in some cases, the underlying integrability of the problem. However, it is clear that this expansion does not capture well the crossover physics. In the integrable case—which includes problems such as an XXZ chain with a modified link, the interacting resonant level model or the anisotropic Kondo model—a nonperturbative approach is in principle possible using form factors. We adapt in this paper the ideas of Cardy [J. Stat. Phys.JSTPBS0022-471510.1007/s10955-007-9422-x 130, 129 (2008)] and Castro-Alvaredo and Doyon [J. Stat. Phys.JSTPBS0022-471510.1007/s10955-008-9664-2 134, 105 (2009)] to the gapless case and show that, in the rather simple case of the resonant level model, and after some additional renormalizations, the form-factors approach yields remarkably accurate results for the entanglement all the way from short to large distances. This is confirmed by detailed comparison with numerical simulations. Both our form factor and numerical results are compatible with a nonperturbative form at short distance.

  6. Investigation of reduction process and related impurities in ezetimibe.

    PubMed

    Zhang, Dengfeng; Su, Jiangtao

    2015-03-25

    During the synthesis of ezetimibe bulk drug, research for the impurities which especially come from the last two steps of synthetic route is of great significance for the quality by design (QbD) concept. The design spaces of last two steps of reduction reaction were established. The critical parameters were discussed under the QbD concept, which have noticeable impact on the impurity profile such as the new process related impurities mentioned in this paper. Three novel reduction process related impurities were prepared by designed synthetic route and co-injected with ezetimibe sample for identification. These novel process related impurities were also detected in different laboratory batches of ezetimibe bulk drug and characterized using MS, (1)H, (13)C, 2D NMR and IR techniques. The synthesis, isolation, identification, structural elucidation and formation of impurities were also discussed in detail.

  7. Enhanced ionized impurity scattering in nanowires

    NASA Astrophysics Data System (ADS)

    Oh, Jung Hyun; Lee, Seok-Hee; Shin, Mincheol

    2013-06-01

    The electronic resistivity in silicon nanowires is investigated by taking into account scattering as well as the donor deactivation from the dielectric mismatch. The effects of poorly screened dopant atoms from the dielectric mismatch and variable carrier density in nanowires are found to play a crucial role in determining the nanowire resistivity. Using Green's function method within the self-consistent Born approximation, it is shown that donor deactivation and ionized impurity scattering combined with the charged interface traps successfully to explain the increase in the resistivity of Si nanowires while reducing the radius, measured by Björk et al. [Nature Nanotech. 4, 103 (2009)].

  8. Heat flux mitigation by impurity seeding in high-field tokamaks

    NASA Astrophysics Data System (ADS)

    Reinke, M. L.

    2017-03-01

    The ability for tokamaks to exhaust power in the boundary via impurity radiation is explored using empirical scalings and a simple 0D exhaust model, focusing on the scaling with toroidal field and major radius. By combining a scaling for the heat flux width and the L-H threshold power, the parallel heat flux in the SOL is shown to scale strongly with magnetic field, {{q}\\parallel}∼ B\\text{T}2.52 while having little to no scaling with machine size, {{q}\\parallel}∼ {{R}0.16} . Despite the increased heat flux at high field, it is shown that target temperatures relevant to detachment can be reached with finite main-ion dilution for a variety of impurity seeding gases, although non-equilibrium ionization balance is required in most cases. The necessary impurity fractions are estimated to scale like {{f}Z}∼ B\\text{T}0.88{{R}1.33} , a result that is facilitated by an increase in upstream temperature at high {{q}\\parallel} relative to peaks in the impurity cooling-curves. This scaling indicates that for optimizing reactors, minimizing device size while maximizing toroidal field, an approach shown to be consistent with energy confinement scaling, will also maximize the feasibility of reaching detachment at the lowest dilution. Despite this, analysis suggests an increase in the impurity fractions relative to existing devices will be required to exhaust power in a reactor-scale tokamak, with validation of impurity radiation physics required before both simple and detailed models can make reliable predictions of absolute f Z .

  9. Impurity Correction Techniques Applied to Existing Doping Measurements of Impurities in Zinc

    NASA Astrophysics Data System (ADS)

    Pearce, J. V.; Sun, J. P.; Zhang, J. T.; Deng, X. L.

    2017-01-01

    Impurities represent the most significant source of uncertainty in most metal fixed points used for the realization of the International Temperature Scale of 1990 (ITS-90). There are a number of different methods for quantifying the effect of impurities on the freezing temperature of ITS-90 fixed points, many of which rely on an accurate knowledge of the liquidus slope in the limit of low concentration. A key method of determining the liquidus slope is to measure the freezing temperature of a fixed-point material as it is progressively doped with a known amount of impurity. Recently, a series of measurements of the freezing and melting temperature of `slim' Zn fixed-point cells doped with Ag, Fe, Ni, and Pb were presented. Here, additional measurements of the Zn-X system are presented using Ga as a dopant, and the data (Zn-Ag, Zn-Fe, Zn-Ni, Zn-Pb, and Zn-Ga) have been re-analyzed to demonstrate the use of a fitting method based on Scheil solidification which is applied to both melting and freezing curves. In addition, the utility of the Sum of Individual Estimates method is explored with these systems in the context of a recently enhanced database of liquidus slopes of impurities in Zn in the limit of low concentration.

  10. HPLC-MS Examination of Impurities in Pentaerythritol Tetranitrate

    NASA Astrophysics Data System (ADS)

    Brown, Geoffrey W.; Giambra, Anna M.

    2014-04-01

    Pentaerythritol tetranitrate (PETN) has trace homolog impurities that can be detected by high-performance liquid chromatography-mass spectrometry. Consideration of observed impurity masses and candidate structures based on known pentaerythritol impurities allows identification of 22 compounds in the data. These are all consistent with either fully nitrated homologs or derivatives substituted with methyl, methoxy, or hydroxyl groups in place of a nitric ester. Examining relative impurity concentrations in three starting batches of PETN and six subsequently processed batches shows that it is possible to use relative concentration profiles as a fingerprint to differentiate batches and follow them through recrystallization steps.

  11. On impurity handling in high performance stellarator/heliotron plasmas

    NASA Astrophysics Data System (ADS)

    Burhenn, R.; Feng, Y.; Ida, K.; Maassberg, H.; McCarthy, K. J.; Kalinina, D.; Kobayashi, M.; Morita, S.; Nakamura, Y.; Nozato, H.; Okamura, S.; Sudo, S.; Suzuki, C.; Tamura, N.; Weller, A.; Yoshinuma, M.; Zurro, B.

    2009-06-01

    The Large Helical Device (LHD) and Wendelstein 7-X (W7-X, under construction) are experiments specially designed to demonstrate long-pulse (quasi steady state) operation, which is an intrinsic property of stellarators and heliotrons. Significant progress has been made in establishing high performance plasmas. A crucial point is the increasing impurity confinement at high density observed at several machines (TJ-II, W7-AS, LHD) which can lead to impurity accumulation and early pulse termination by radiation collapse. In addition, theoretical predictions for non-axisymmetric configurations predict the absence of impurity screening by ion temperature gradients in standard ion-root plasmas. Nevertheless, scenarios were found where impurity accumulation was successfully avoided in LHD and W7-AS due to the onset of friction forces in the (high density and low temperature) scrape-off-layer (SOL), the generation of magnetic islands at the plasma boundary and to a certain degree also by edge localized modes, flushing out impurities and reducing the net impurity influx into the core. In both the W7-AS high density H-mode regime and in the case of application of sufficient electron cyclotron radiation heating power a reduction in impurity core confinement was observed. The exploration of such purification mechanisms is a demanding task for successful steady-state operation. Impurity transport at the plasma edge/SOL was identified to play a major role for the global impurity behaviour in addition to the core confinement.

  12. Oxygen impurity radiation from Tokamak-like plasmas

    NASA Technical Reports Server (NTRS)

    Rogerson, J. E.; Davis, J.; Jacobs, V. L.

    1977-01-01

    We have constructed a nonhydrodynamic coronal model for calculating radiation from impurity atoms in a heated plasma. Some recent developments in the calculation of dielectronic recombination rate coefficients and collisional excitation rate coefficients are included. The model is applied to oxygen impurity radiation during the first few milliseconds of a TFR Tokamak plasma discharge, and good agreement with experimental results is obtained. Estimates of total line and continuum radiation from the oxygen impurity are given. It is shown that impurity radiation represents a considerable energy loss.

  13. Development of RP UPLC-TOF/MS, stability indicating method for omeprazole and its related substances by applying two level factorial design; and identification and synthesis of non-pharmacopoeial impurities.

    PubMed

    Jadhav, Sushant Bhimrao; Kumar, C Kiran; Bandichhor, Rakeshwar; Bhosale, P N

    2016-01-25

    A new UPLC-TOF/MS compatible, reverse phase-stability indicating method was developed for determination of Omeprazole (OMP) and its related substances in pharmaceutical dosage forms by implementing Design of Experiment (DoE) i.e. two level full factorial Design (2(3)+3 center points=11 experiments) to understand the Critical Method Parameters (CMP) and its relation with Critical Method Attribute (CMA); to ensure robustness of the method. The separation of eleven specified impurities including conversion product of OMP related compound F (13) and G (14) i.e. Impurity-I (1), OMP related compound-I (11) and OMP 4-chloro analog (12) was achieved in a single method on Acquity BEH shield RP18 100 × 2.1 mm, 1.7 μm column, with inlet filter (0.2 μm) using gradient elution and detector wavelength at 305 nm and validated in accordance with ICH guidelines and found to be accurate, precise, reproducible, robust and specific. The drug was found to degrade extensively in heat, humidity and acidic conditions and forms unknown degradation products during stability studies. The same method was used for LC-MS analysis to identify m/z and fragmentation of maximum unknown impurities (Non-Pharmacopoeial) i.e. Impurity-I (1), Impurity-III (3), Impurity-V (5) and Impurity-VIII (9) formed during stability studies. Based on the results, degradation pathway for the drug has been proposed and synthesis of identified impurities i.e. impurities (Impurity-I (1), Impurity-III (3), Impurity-V (5) and Impurity-VIII (9)) are discussed in detail to ensure in-depth understanding of OMP and its related impurities and optimum performance during lifetime of the product.

  14. Impurity Role In Mechanically Induced Defects

    SciTech Connect

    Howell, R.H.; Asoka-Kumar, P.; Hartley, J.; Sterne, P.

    2000-02-25

    An improved understanding of dislocation dynamics and interactions is an outstanding problem in the multi scale modeling of materials properties, and is the current focus of major theoretical efforts world wide. We have developed experimental and theoretical tools that will enable us to measure and calculate quantities defined by the defect structure. Unique to the measurements is a new spectroscopy that determines the detailed elemental composition at the defect site. The measurements are based on positron annihilation spectroscopy performed with a 3 MeV positron beam [1]. Positron annihilation spectroscopy is highly sensitive to dislocations and associated defects and can provide unique elements of the defect size and structure. Performing this spectroscopy with a highly penetrating positron beam enables flexibility in sample handling. Experiments on fatigued and stressed samples have been done and in situ measurement capabilities have been developed. We have recently performed significant upgrades to the accelerator operation and novel new experiments have been performed [2-4] To relate the spectrographic results and the detailed structure of a defect requires detailed calculations. Measurements are coupled with calculated results based on a description of positions of atoms at the defect. This gives an atomistic view of dislocations and associated defects including impurity interactions. Our ability to probe impurity interactions is a unique contribution to defect understanding not easily addressed by other atomistic spectroscopies.

  15. Impurity pellet injection experiments at TFTR

    SciTech Connect

    Marmar, E.S.

    1992-01-01

    Impurity (Li and C) pellet injection experiments on TFTR have produced a number of new and significant results. (1) We observe reproducible improvements of TFTR supershots after wall-conditioning by Li pellet injection ( lithiumization'). (2) We have made accurate measurements of the pitch angle profiles of the internal magnetic field using two novel techniques. The first measures the internal field pitch from the polarization angles of Li[sup +] line emission from the pellet ablation cloud, while the second measures the pitch angle profiles by observing the tilt of the cigar-shaped Li[sup +] emission region of the ablation cloud. (3) Extensive measurements of impurity pellet penetration into plasmas with central temperatures ranging from [approximately]0.3 to [approximately]7 keV have been made and compared with available theoretical models. Other aspects of pellet cloud physics have been investigated. (4) Using pellets as a well defined perturbation has allowed study of transport phenomena. In the case of small pellet perturbations, the characteristics of the background plasmas are probed, while with large pellets, pellet induced effects are clearly observed. These main results are discussed in more detail in this paper.

  16. Quantification of active pharmaceutical ingredient and impurities in sildenafil citrate obtained from the Internet

    PubMed Central

    Nutan, Mohammad T.; Dodla, Uday Krishna Reddy

    2014-01-01

    Background: The accessibility of prescription drugs produced outside of the United States, most notably sildenafil citrate (innovator product, Viagra®), has been made much easier by the Internet. Of greatest concern to clinicians and policymakers is product quality and patient safety. The US Food and Drug Administration (FDA) has issued warnings to potential buyers that the safety of drugs purchased from the Internet cannot be guaranteed, and may present a health risk to consumers from substandard products. Objective: The objective of this study was to determine whether generic sildenafil citrate tablets from international markets obtained via the Internet are equivalent to the US innovator product regarding major aspects of pharmaceutical quality: potency, accuracy of labeling, and presence and level of impurities. This will help identify aspects of drug quality that may impact public health risks. Methods: A total of 15 sildenafil citrate tablets were obtained for pharmaceutical analysis: 14 generic samples from international Internet pharmacy websites and the US innovator product. According to US Pharmacopeial guidelines, tablet samples were tested using high-performance liquid chromatography for potency of active pharmaceutical ingredient (API) and levels of impurities (impurities A, B, C, and D). Impurity levels were compared with International Conference on Harmonisation (ICH) limits. Results: Among the 15 samples, 4 samples possessed higher impurity B levels than the ICH qualification threshold, 8 samples possessed higher impurity C levels than the ICH qualification threshold, and 4 samples possessed more than 1% impurity quantity of maximum daily dose (MDD). For API, 6 of the samples failed to fall within the 5% assay limit. Conclusions: Quality assurance tests are often used to detect formulation defects of drug products during the manufacturing and/or storage process. Results suggest that manufacturing standards for sildenafil citrate generic drug

  17. Confirming Impurity Effect in Silver-Point Realization from Cell-to-Cell Comparisons

    NASA Astrophysics Data System (ADS)

    Widiatmo, J. V.; Harada, K.; Yamazawa, K.; Tamba, J.; Arai, M.

    2011-12-01

    As a continuation to earlier work on the silver-point realization, already reported at TEMPMEKO 2007, a new silver-point cell has been fabricated using 6N-nominal grade material that was analyzed by means of glow discharge mass spectrometry (GDMS) by the manufacturer. This new cell is evaluated by a direct cell comparison with one of the existing cells, which was also already reported at TEMPMEKO 2007. One of those existing cells was drawn out from its crucible, and its ingot was analyzed by GDMS at four positions, namely, at around the center of the top, of the middle, of the bottom, and around the outer part of middle areas for the purpose of confirming whether or not there has been differences in the content of impurities before and after the cell fabrication, as well as differences in impurity homogeneity within the ingot. As results of the aforementioned measurements, it was found that the homogeneity of impurities in the silver ingot was on average within 50 %. It was also found that cell-to-cell temperature differences change along with the progressing solidification process. As a consequence, it was concluded that, for an accurate cell-to-cell comparison, the location in the freezing plateau, where the comparison is done, should be determined. Also obtained here is that the slope analysis was consistent with both the cell-to-cell comparison and the impurity analysis.

  18. Effects of electron-impurity scattering on density of states in silicene: Impurity bands and band-gap narrowing

    NASA Astrophysics Data System (ADS)

    Liu, S. Y.; Zeng, Y. C.; Lei, X. L.

    2016-12-01

    Considering the interband correlation, we present a generalized multiple-scattering approach of Green's function to investigate the effects of electron-impurity scattering on the density of states in silicene at zero temperature. The reduction of energy gaps in the case of relatively high chemical potential and the transformation of split-off impurity bands into band tails for low chemical potential are found. The dependency of optical conductivity on the impurity concentration is also discussed for frequency within the terahertz regime.

  19. Development of a novel RP-HPLC method for the efficient separation of aripiprazole and its nine impurities.

    PubMed

    Nikolic, Katarina; Filijović, Nataša Djordjević; Maričić, Borislava; Agbaba, Danica

    2013-10-01

    The development of an RP-HPLC method for the separation of aripiprazole and its nine impurities was performed with the use of partial least squares regression, response surface plot methodology, and chromatographic response function. The HPLC retention times and computed molecular parameters of the aripiprazole and its nine impurities were further used for the quantitative structure-retention relationship (QSRR) study. The QSRR model, R(2):0.899, Q(2):0.832, root mean square error of estimation: 4.761, root mean square error of prediction: 6.614, was developed. Very good agreement between the predicted and observed retention times (t(R)) for three additional aripiprazole impurities (TC1-TC3) indicated the high prediction potential of the QSRR model for tR evaluation of other aripiprazole impurities and metabolites. The developed HPLC method is the first reported method for the efficient separation of aripiprazole and its nine impurities, which could be used for the analysis of an additional three aripiprazole impurities (TC1-TC3).

  20. Influence of Peroxide Impurities in Povidone on the Stability of Selected β-Blockers with the Help of HPLC.

    PubMed

    Prachi, Saklecha; Komal, Chaudhary; Priti, Mehta J

    2017-02-02

    A present study was conducted to investigate compatibility of β-blocker drugs( like atenolol, labetalol hydrochloride, bisoprolol fumarate, metoprolol succinate, carvedilol and propranolol hydrochloride) with the pharmaceutical excipient povidone. To check the influence of peroxide impurity present in povidone on the stability of β-blockers, a binary mixture technique has been adopted. The binary mixtures (1:1) of β-blockers with povidone excipient were stored for the duration of 6 months at accelerated conditions (40°C and 75% RH) and analyzed with the technique of high-performance liquid chromatography (HPLC). On analysis, HPLC results shows that, the percentage of total impurity for atenolol-2.15%, bisoprolol fumarate-3.55%, carvedilol-2.19%, and labetalol hydrochloride-1.89%, with respect to povidone. To verify the interaction of H2O2 present in povidone as an impurity, oxidative degradation of selected active pharmaceutical ingredients were performed and degradation profile were compared with that of degradation impurities generated in drug-excipient mixture at accelerated conditions. The relative retention time (RRT) of impurities generated in accelerated stability study samples resembles the RRT of degradation products generated by oxidative degradation of pure drugs. Thus, it confirms that degradation of β-blockers with povidone was mediated by organic peroxides present as an impurity in povidone.

  1. Systematic Study of Trace Radioactive Impurities in Candidate Construction Materials for EXO-200

    SciTech Connect

    Leonard, D.S.; Grinberg, P.; Weber, P.; Baussan, E.; Djurcic, Z.; Keefer, G.; Piepke, A.; Pocar, A.; Vuilleumier, J.-L.; Vuilleumier, J.-M.; Akimov, D.; Bellerive, A.; Bowcock, M.; Breidenbach, M.; Burenkov, A.; Conley, R.; Craddock, W.; Danilov, M.; DeVoe, R.; Dixit, M.; Dolgolenko, A.; /Alabama U. /NRC-INMS /Neuchatel U. /Stanford U., Phys. Dept. /SLAC /Colorado State U. /Laurentian U. /Maryland U. /UC, Irvine

    2007-10-24

    The Enriched Xenon Observatory (EXO) will search for double beta decays of 136Xe. We report the results of a systematic study of trace concentrations of radioactive impurities in a wide range of raw materials and finished parts considered for use in the construction of EXO-200, the first stage of the EXO experimental program. Analysis techniques employed, and described here, include direct gamma counting, alpha counting, neutron activation analysis, and high-sensitivity mass spectrometry.

  2. 40 CFR 158.340 - Discussion of formation of impurities.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... require an expanded discussion of information on impurities: (1) From other possible chemical reactions... why they may be present. The discussion should be based on established chemical theory and on what the... range of levels) of these impurities. (iii) The intended reactions and side reactions which may occur...

  3. Tight-Binding Description of Impurity States in Semiconductors

    ERIC Educational Resources Information Center

    Dominguez-Adame, F.

    2012-01-01

    Introductory textbooks in solid state physics usually present the hydrogenic impurity model to calculate the energy of carriers bound to donors or acceptors in semiconductors. This model treats the pure semiconductor as a homogeneous medium and the impurity is represented as a fixed point charge. This approach is only valid for shallow impurities…

  4. 19 CFR 158.13 - Allowance for moisture and impurities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 19 Customs Duties 2 2013-04-01 2013-04-01 false Allowance for moisture and impurities. 158.13... EXPORTED Damaged or Defective Merchandise § 158.13 Allowance for moisture and impurities. (a) Application... section 507, Tariff Act of 1930, as amended (19 U.S.C. 1507), for all detectable moisture and...

  5. 19 CFR 158.13 - Allowance for moisture and impurities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 19 Customs Duties 2 2010-04-01 2010-04-01 false Allowance for moisture and impurities. 158.13... EXPORTED Damaged or Defective Merchandise § 158.13 Allowance for moisture and impurities. (a) Application... section 507, Tariff Act of 1930, as amended (19 U.S.C. 1507), for all detectable moisture and...

  6. 19 CFR 158.13 - Allowance for moisture and impurities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 19 Customs Duties 2 2011-04-01 2011-04-01 false Allowance for moisture and impurities. 158.13... EXPORTED Damaged or Defective Merchandise § 158.13 Allowance for moisture and impurities. (a) Application... section 507, Tariff Act of 1930, as amended (19 U.S.C. 1507), for all detectable moisture and...

  7. 19 CFR 158.13 - Allowance for moisture and impurities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 19 Customs Duties 2 2012-04-01 2012-04-01 false Allowance for moisture and impurities. 158.13... EXPORTED Damaged or Defective Merchandise § 158.13 Allowance for moisture and impurities. (a) Application... section 507, Tariff Act of 1930, as amended (19 U.S.C. 1507), for all detectable moisture and...

  8. 19 CFR 158.13 - Allowance for moisture and impurities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 19 Customs Duties 2 2014-04-01 2014-04-01 false Allowance for moisture and impurities. 158.13... EXPORTED Damaged or Defective Merchandise § 158.13 Allowance for moisture and impurities. (a) Application... section 507, Tariff Act of 1930, as amended (19 U.S.C. 1507), for all detectable moisture and...

  9. Impurity transport through a strongly interacting bosonic quantum gas

    SciTech Connect

    Johnson, T. H.; Clark, S. R.; Bruderer, M.; Jaksch, D.

    2011-08-15

    Using near-exact numerical simulations, we study the propagation of an impurity through a one-dimensional Bose lattice gas for varying bosonic interaction strengths and filling factors at zero temperature. The impurity is coupled to the Bose gas and confined to a separate tilted lattice. The precise nature of the transport of the impurity is specific to the excitation spectrum of the Bose gas, which allows one to measure properties of the Bose gas nondestructively, in principle, by observing the impurity; here we focus on the spatial and momentum distributions of the impurity as well as its reduced density matrix. For instance, we show it is possible to determine whether the Bose gas is commensurately filled as well as the bandwidth and gap in its excitation spectrum. Moreover, we show that the impurity acts as a witness to the crossover of its environment from the weakly to the strongly interacting regime, i.e., from a superfluid to a Mott insulator or Tonks-Girardeau lattice gas, and the effects on the impurity in both of these strongly interacting regimes are clearly distinguishable. Finally, we find that the spatial coherence of the impurity is related to its propagation through the Bose gas.

  10. The Mg impurity in nitride alloys

    SciTech Connect

    Zvanut, M. E.; Willoughby, W. R.; Sunay, U. R.; Koleske, D. D.; Allerman, A. A.; Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi

    2014-02-21

    Although several magnetic resonance studies address the Mg acceptor in GaN, there are few reports on Mg doping in the alloys, where hole production depends strongly on the Al or In content. Our electron paramagnetic resonance (EPR) measurements of the p-type alloys suggest that the Mg impurity retains the axial symmetry, characteristic of a p-type dopant in both alloys; however, In and Al produce additional, different characteristics of the acceptor. In InGaN, the behavior is consistent with a lowering of the acceptor level and increasing hole density as In concentration increases. For AlGaN, the amount of neutral Mg decreases with increasing Al content, which is attributed to different kinetics of hydrogen diffusion thought to occur in samples with higher Al mole fraction.

  11. Impurity induced crystallinity and optical emissions in ZnO nanorod arrays

    NASA Astrophysics Data System (ADS)

    Panda, N. R.; Acharya, B. S.

    2015-01-01

    We report the growth of ZnO nanocrystallites doped with impurities such as B, N and S by green chemistry route using ultrasound. The effect of intrinsic defects and impurity doping on the structural and optical properties of ZnO nanostructures has been studied and discussed. Characterization studies carried out using x-ray diffraction (XRD) reveal the change in lattice parameters and crystallinity of ZnO in the presence of dopant. This has been explained on the basis of the dopant substitution at regular anion and interstitial sites. Study on surface morphology by field emission scanning electron microscopy (FESEM) shows a change from particle-like structure to aligned nanorods nucleated at definite sites. Elemental analysis such as x-ray photon electron spectroscopy (XPS) has been carried out to ascertain the dopant configuration in ZnO. This has been corroborated by the results obtained from FTIR and Raman studies. UV-vis light absorption and PL studies show an expansion of the band gap which has been explained on the basis of Moss-Burstein shift in the electronic band gap of ZnO by impurity incorporation. The optical emissions corresponding to excitonic transition and defect centres present in the band gap of ZnO is found to shift towards lower/higher wavelength sides. New PL bands observed have been assigned to the transitions related to the impurity states present in the band gap of ZnO along with intrinsic defects.

  12. Use of nonlocal helium microplasma for gas impurities detection by the collisional electron spectroscopy method

    SciTech Connect

    Kudryavtsev, Anatoly A.; Stefanova, Margarita S.; Pramatarov, Petko M.

    2015-10-15

    The collisional electron spectroscopy (CES) method, which lays the ground for a new field for analytical detection of gas impurities at high pressures, has been verified. The CES method enables the identification of gas impurities in the collisional mode of electron movement, where the advantages of nonlocal formation of the electron energy distribution function (EEDF) are fulfilled. Important features of dc negative glow microplasma and probe method for plasma diagnostics are applied. A new microplasma gas analyzer design is proposed. Admixtures of 0.2% Ar, 0.6% Kr, 0.1% N{sub 2}, and 0.05% CO{sub 2} are used as examples of atomic and molecular impurities to prove the possibility for detecting and identifying their presence in high pressure He plasma (50–250 Torr). The identification of the particles under analysis is made from the measurements of the high energy part of the EEDF, where maxima appear, resulting from the characteristic electrons released in Penning reactions of He metastable atoms with impurity particles. Considerable progress in the development of a novel miniature gas analyzer for chemical sensing in gas phase environments has been made.

  13. Single atom impurity in a single molecular transistor

    NASA Astrophysics Data System (ADS)

    Ray, S. J.

    2014-10-01

    The influence of an impurity atom on the electrostatic behaviour of a Single Molecular Transistor was investigated through Ab-initio calculations in a double-gated geometry. The charge stability diagram carries unique signature of the position of the impurity atom in such devices which together with the charging energy of the molecule could be utilised as an electronic fingerprint for the detection of such impurity states in a nano-electronic device. The two gated geometry allows additional control over the electrostatics as can be seen from the total energy surfaces (for a specific charge state), which is sensitive to the positions of the impurity. These devices which are operational at room temperature can provide significant advantages over the conventional silicon based single dopant devices functional at low temperature. The present approach could be a very powerful tool for the detection and control of individual impurity atoms in a single molecular device and for applications in future molecular electronics.

  14. Impurity effect on surface states of Bi (111) ultrathin films

    NASA Astrophysics Data System (ADS)

    Zhu, Kai; Tian, Dai; Wu, Lin; Xu, Jianli; Jin, Xiaofeng

    2016-08-01

    The surface impurity effect on the surface-state conductivity and weak antilocalization (WAL) effect has been investigated in epitaxial Bi (111) films by magnetotransport measurements at low temperatures. The surface-state conductivity is significantly reduced by the surface impurities of Cu, Fe, and Co. The magnetotransport data demonstrate that the observed WAL is robust against deposition of nonmagnetic impurities, but it is quenched by the deposition of magnetic impurities which break the time reversal symmetry. Our results help to shed light on the effect of surface impurities on the electron and spin transport properties of a 2D surface electron systems. Project supported by the National Basic Research Program of China (Grants Nos. 2015CB921400 and 2011CB921802) and the National Natural Science Foundation of China (Grants Nos. 11374057, 11434003, and 11421404).

  15. Single atom impurity in a single molecular transistor

    SciTech Connect

    Ray, S. J.

    2014-10-21

    The influence of an impurity atom on the electrostatic behaviour of a Single Molecular Transistor was investigated through Ab-initio calculations in a double-gated geometry. The charge stability diagram carries unique signature of the position of the impurity atom in such devices which together with the charging energy of the molecule could be utilised as an electronic fingerprint for the detection of such impurity states in a nano-electronic device. The two gated geometry allows additional control over the electrostatics as can be seen from the total energy surfaces (for a specific charge state), which is sensitive to the positions of the impurity. These devices which are operational at room temperature can provide significant advantages over the conventional silicon based single dopant devices functional at low temperature. The present approach could be a very powerful tool for the detection and control of individual impurity atoms in a single molecular device and for applications in future molecular electronics.

  16. Quantum dynamics of impurities coupled to a Fermi sea

    NASA Astrophysics Data System (ADS)

    Parish, Meera M.; Levinsen, Jesper

    2016-11-01

    We consider the dynamics of an impurity atom immersed in an ideal Fermi gas at zero temperature. We focus on the coherent quantum evolution of the impurity following a quench to strong impurity-fermion interactions, where the interactions are assumed to be short range like in cold-atom experiments. To approximately model the many-body time evolution, we use a truncated basis method, where at most two particle-hole excitations of the Fermi sea are included. When the system is initially noninteracting, we show that our method exactly captures the short-time dynamics following the quench, and we find that the overlap between initial and final states displays a universal nonanalytic dependence on time in this limit. We further demonstrate how our method can be used to compute the impurity spectral function, as well as describe many-body phenomena involving coupled impurity spin states, such as Rabi oscillations in a medium or highly engineered quantum quenches.

  17. Impurity State and Variable Range Hopping Conduction in Graphene

    NASA Astrophysics Data System (ADS)

    Liang, Sang-Zi; Sofo, Jorge O.

    2012-12-01

    The variable range hopping theory, as formulated for exponentially localized impurity states, does not necessarily apply in the case of graphene with covalently attached impurities. We analyze the localization of impurity states in graphene using the nearest-neighbor, tight-binding model of an adatom-graphene system with Green’s function perturbation methods. The amplitude of the impurity state wave function is determined to decay as a power law with exponents depending on sublattice, direction, and the impurity species. We revisit the variable range hopping theory in view of this result and find that the conductivity depends as a power law of the temperature with an exponent related to the localization of the wave function. We show that this temperature dependence is in agreement with available experimental results.

  18. Hydrocyclones for the separation of impurities in pretreated biowaste.

    PubMed

    Jank, Anna; Müller, Wolfgang; Waldhuber, Sebastian; Gerke, Frédéric; Ebner, Christian; Bockreis, Anke

    2017-03-13

    The aim of the mechanical pretreatment in case of anaerobic digestion of biowaste is to produce a substrate without impurities. To facilitate a failure free operation of the anaerobic digestion process even small impurities like stones or sand should be separated. As a result of an insufficient pretreatment or impurities separation, plant malfunctions, increased equipment wear or pipe clogging are reported. Apart from grit chambers or pulper systems, a hydrocyclone is a cost-efficient and space-saving option to remove impurities. The aim of this work was to investigate the efficiency of hydrocyclones for the separation of impurities. Two hydrocyclones at two different plants were investigated regarding their capability to separate the small inert impurities from pretreated source separated biowaste. In plant A, the hydrocyclone is part of the digester system. In plant B, the hydrocyclone is part of the biowaste pretreatment line (after milling and sieving the biowaste) before digestion. Separation rates of inert impurities such as stones, glass and sand were determined as well as the composition of the concentrated solids separated by the hydrocyclone. Due to the heterogeneity of the biowaste the impurity separation rates showed variations, therefore the following mean results were obtained in average: the investigated hydrocyclones of plant B, part of the biowaste treatment, separated more than 80% of the inert impurities in the waste stream before anaerobic digestion. These impurities had a size range of 0.5-4mm. The hydrocyclone integrated in the digester system of plant A showed separation rates up to 80% only in the size range of 2-4mm.

  19. Determination of impurities in uranium matrices by time-of-flight ICP-MS using matrix-matched method

    SciTech Connect

    Buerger, Stefan; Riciputi, Lee R; Bostick, Debra A

    2007-01-01

    The analysis of impurities in uranium matrices is performed in a variety of fields, e.g. for quality control in the production stream converting uranium ores to fuels, as element signatures in nuclear forensics and safeguards, and for non-proliferation control. We have investigated the capabilities of time-of-flight ICP-MS for the analysis of impurities in uranium matrices using a matrix-matched method. The method was applied to the New Brunswick Laboratory CRM 124(1-7) series. For the seven certified reference materials, an overall precision and accuracy of approximately 5% and 14%, respectively, were obtained for 18 analyzed elements.

  20. Identification, characterization, and high-performance liquid chromatography quantification of process-related impurities in vonoprazan fumarate.

    PubMed

    Liu, Lei; Cao, Na; Ma, Xingling; Xiong, Kaihe; Sun, Lili; Zou, Qiaogen

    2016-04-01

    High-performance liquid chromatography analysis of vonoprazan fumarate, a novel proton pump inhibitor drug revealed six impurities. These were identified by liquid chromatography with mass spectrometry. Further, the structures of the impurities were confirmed by synthesis followed by characterization by mass spectrometry, NMR spectroscopy, and infrared spectroscopy. On the basis of these data and knowledge of the synthetic scheme of vonoprazan fumarate, the previously unknown impurity was identified as 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methyldimethylamine, which is a new compound. The possible mechanisms by which these impurities were formed were also discussed. A high-performance liquid chromatography method was optimized in order to separate, selectively detect, and quantify all process-related impurities of vonoprazan fumarate. The presented method has been validated in terms of linearity, limits of detection, and quantification, and response factors and, therefore, is highly suitable for routine analysis of vonoprazan fumarate related substances as well as stability studies.

  1. Isolation and structure elucidation of unexpected in-process impurities during tetrazole ring formation of an investigational drug substance.

    PubMed

    Silva Elipe, Maria Victoria; Yoo, Chul; Xia, Fang; Simiens, Jason; Crossley, Kevin; Huckins, John R; Guo, Hong-Xun; Tedrow, Jason; Wong-Moon, Kirby

    2016-02-03

    During the formation of a tetrazole ring on an investigational drug, two in-process impurities were detected and analyzed by LC-MS, which suggested that both impurities were drug-related with the same mass-to-charge ratio. To understand and control their formation, both impurities were isolated from the mother liquor of the reaction using a multi-step isolation procedure to obtain a sufficient amount for high-resolution mass spectrometry (HRMS) and NMR structural analysis. HRMS suggested a protonated mass of 577.32 Da for both impurities; however, MS fragmentation patterns provided limited information on their structures. NMR analysis indicated the presence on an additional NH functional group in both isolates with similar spatial and bond correlations to one of the dimethylcarbamoyl moieties and the corresponding aromatic ring. A phenyldimethylcarbamoylamino moiety was supported by the NMR and HRMS data and could be explained based on the 'Schmidt-like' reaction mechanism, which was an unexpected reaction pathway. Because the reaction conditions were fixed because of safety concerns, the crystallization protocol was redesigned to reduce the levels of these impurities significantly. Copyright © 2016 John Wiley & Sons, Ltd.

  2. Identification, characterization, synthesis and HPLC quantification of new process-related impurities and degradation products in retigabine.

    PubMed

    Douša, Michal; Srbek, Jan; Rádl, Stanislav; Cerný, Josef; Klecán, Ondřej; Havlíček, Jaroslav; Tkadlecová, Marcela; Pekárek, Tomáš; Gibala, Petr; Nováková, Lucie

    2014-06-01

    Two new impurities were described and determined using gradient HPLC method with UV detection in retigabine (RET). Using LC-HRMS, NMR and IR analysis the impurities were identified as RET-dimer I: diethyl {4,4'-diamino-6,6'-bis[(4-fluorobenzyl)amino]biphenyl-3,3'-diyl}biscarbamate and RET-dimer II: ethyl {2-amino-5-[{2-amino-4-[(4-fluorobenzyl) amino] phenyl} (ethoxycarbonyl) amino]-4-[(4-fluorobenzyl)amino] phenyl}carbamate. Reference standards of these impurities were synthesized followed by semipreparative HPLC purification. The mechanism of the formation of these impurities is also discussed. An HPLC method was optimized in order to separate, selectively detect and quantify all process-related impurities and degradation products of RET. The presented method, which was validated in terms of linearity, limit of detection (LOD), limit of quantification (LOQ) and selectivity is very quick (less than 11min including re-equilibration time) and therefore highly suitable for routine analysis of RET related substances as well as stability studies.

  3. Full automation and validation of a flexible ELISA platform for host cell protein and protein A impurity detection in biopharmaceuticals.

    PubMed

    Rey, Guillaume; Wendeler, Markus W

    2012-11-01

    Monitoring host cell protein (HCP) and protein A impurities is important to ensure successful development of recombinant antibody drugs. Here, we report the full automation and validation of an ELISA platform on a robotic system that allows the detection of Chinese hamster ovary (CHO) HCPs and residual protein A of in-process control samples and final drug substance. The ELISA setup is designed to serve three main goals: high sample throughput, high quality of results, and sample handling flexibility. The processing of analysis requests, determination of optimal sample dilutions, and calculation of impurity content is performed automatically by a spreadsheet. Up to 48 samples in three unspiked and spiked dilutions each are processed within 24 h. The dilution of each sample is individually prepared based on the drug concentration and the expected impurity content. Adaptable dilution protocols allow the analysis of sample dilutions ranging from 1:2 to 1:2×10(7). The validity of results is assessed by automatic testing for dilutional linearity and spike recovery for each sample. This automated impurity ELISA facilitates multi-project process development, is easily adaptable to other impurity ELISA formats, and increases analytical capacity by combining flexible sample handling with high data quality.

  4. Impurity Effects on Momentum Transport and Residual Stress

    NASA Astrophysics Data System (ADS)

    Ko, Sehoon; Jhang, Hogun; Singh, R.

    2015-11-01

    Impurities are inevitable during tokamak plasma operation because of strong interaction of plasma and plasma facing component and helium ash as a byproduct of fusion process. They cause problems such as radiation power loss and fusion fuel dilution. On the other hands, they are used to diagnosis plasma parameters (CES, XICS etc) and to suppress edge-localized mode by wall-coating. In this research, we study the impact of impurities on turbulence driven intrinsic rotation (via residual stress) in the context of the quasi-linear theory. A two-fluid formulation for main and impurity ions is employed to study ion temperature gradient modes in sheared slab geometry modified by the presence of impurities. An effective form of the parallel Reynolds stress is derived in the center of mass frame of a coupled main ion-impurity system. Analyses show that the contents and the radial profile of impurities have a strong influence on the residual stress. In particular, an impurity profile aligned with that of main ions is shown to cause a considerable reduction of the residual stress, which may lead to the reduction of turbulence driven intrinsic rotation.

  5. Impurity-limited resistance and phase interference of localized impurities under quasi-one dimensional nano-structures

    NASA Astrophysics Data System (ADS)

    Sano, Nobuyuki

    2015-12-01

    The impurity-limited resistance and the effect of the phase interference among localized multiple impurities in the quasi-one dimensional (quasi-1D) nanowire structures are systematically investigated under the framework of the scattering theory. We derive theoretical expressions of the impurity-limited resistance in the nanowire under the linear response regime from the Landauer formula and from the Boltzmann transport equation (BTE) with the relaxation time approximation. We show that the formula from the BTE exactly coincides with that from the Landauer approach with the weak-scattering limit when the energy spectrum of the in-coming electrons from the reservoirs is narrow and, thus, point out a possibility that the distinction of the impurity-limited resistances derived from the Landauer formula and that of the BTE could be made clear. The derived formulas are applied to the quasi-1D nanowires doped with multiple localized impurities with short-range scattering potential and the validity of various approximations on the resistance are discussed. It is shown that impurity scattering becomes so strong under the nanowire structures that the weak-scattering limit breaks down in most cases. Thus, both phase interference and phase randomization simultaneously play a crucial role in determining the impurity-limited resistance even under the fully coherent framework. When the impurity separation along the wire axis direction is small, the constructive phase interference dominates and the resistance is much greater than the average resistance. As the separation becomes larger, however, it approaches the series resistance of the single-impurity resistance due to the phase randomization. Furthermore, under the uniform configuration of impurities, the space-average resistance of multiple impurities at room temperature is very close to the series resistance of the single-impurity resistance, and thus, each impurity could be regarded as an independent scattering center. The

  6. Impurity-limited resistance and phase interference of localized impurities under quasi-one dimensional nano-structures

    SciTech Connect

    Sano, Nobuyuki

    2015-12-28

    The impurity-limited resistance and the effect of the phase interference among localized multiple impurities in the quasi-one dimensional (quasi-1D) nanowire structures are systematically investigated under the framework of the scattering theory. We derive theoretical expressions of the impurity-limited resistance in the nanowire under the linear response regime from the Landauer formula and from the Boltzmann transport equation (BTE) with the relaxation time approximation. We show that the formula from the BTE exactly coincides with that from the Landauer approach with the weak-scattering limit when the energy spectrum of the in-coming electrons from the reservoirs is narrow and, thus, point out a possibility that the distinction of the impurity-limited resistances derived from the Landauer formula and that of the BTE could be made clear. The derived formulas are applied to the quasi-1D nanowires doped with multiple localized impurities with short-range scattering potential and the validity of various approximations on the resistance are discussed. It is shown that impurity scattering becomes so strong under the nanowire structures that the weak-scattering limit breaks down in most cases. Thus, both phase interference and phase randomization simultaneously play a crucial role in determining the impurity-limited resistance even under the fully coherent framework. When the impurity separation along the wire axis direction is small, the constructive phase interference dominates and the resistance is much greater than the average resistance. As the separation becomes larger, however, it approaches the series resistance of the single-impurity resistance due to the phase randomization. Furthermore, under the uniform configuration of impurities, the space-average resistance of multiple impurities at room temperature is very close to the series resistance of the single-impurity resistance, and thus, each impurity could be regarded as an independent scattering center. The

  7. Effect of ester impurities in PMR-polyimide resin

    NASA Technical Reports Server (NTRS)

    Lauver, R. W.

    1976-01-01

    Spectral and chomatographic studies were conducted which established the presence of tri- and tetraester impurities in aged monomer solutions employed in fabrication of PMR-polyimide resin composites. The equilibrium constant and apparent rate of the esterification were determined. It was demonstrated, using differential scanning calorimetry, that the ortho-ester moiety of these impurities does not completely react at typical cure conditions. It is concluded that voids formed in composites fabricated with aged monomer solution are due to gaseous decomposition products evolved by ester impurities and/or unreacted amine during elevated temperature post-cure treatment.

  8. Large impurity effects in rubrene crystals: First-principles calculations

    SciTech Connect

    Tsetseris, L.; Pantelides, Sokrates T.

    2008-01-01

    Carrier mobilities of rubrene films are among the highest values reported for any organic semiconductor. Here, we probe with first-principles calculations the sensitivity of rubrene crystals on impurities. We find that isolated oxygen impurities create distinct peaks in the electronic density of states consistent with observations of defect levels in rubrene and that increased O content changes the position and shape of rubrene energy bands significantly. We also establish a dual role of hydrogen as individual H species and H impurity pairs create and annihilate deep carrier traps, respectively. The results are relevant to the performance and reliability of rubrene-based devices.

  9. Coupling of impurity modes in one-dimensional periodic systems.

    PubMed

    Royo, P; Stanley, R P; Ilegems, M

    2001-07-01

    One-dimensional periodic dielectric structures are known to exhibit band gaps because of their symmetry. Defect states can be found in the band gaps if an impurity layer is added to the lattice such that the symmetry of the structure is broken. In this paper, we consider the case where a second impurity layer is added and we discuss the existence of coupling between the two defects. We discuss the possibility of exploiting the coupling of impurity modes in the realization of tunable wavelength emitting devices and dual-wavelength vertical-cavity surface-emitting lasers.

  10. Fe impurities weaken the ferromagnetic behavior in Au nanoparticles.

    PubMed

    Crespo, P; García, M A; Fernández Pinel, E; Multigner, M; Alcántara, D; de la Fuente, J M; Penadés, S; Hernando, A

    2006-10-27

    In this Letter, we report on a crucial experiment showing that magnetic impurities reduce the ferromagnetic order temperature in thiol-capped Au glyconanoparticles (GNPs). The spontaneous magnetization of AuFe GNPs exhibits a fast decrease with temperature that contrasts with the almost constant value of the magnetization observed in Au NPs. Moreover, hysteresis disappears below 300 K. Both features indicate that Fe impurities reduce the high local anisotropy field responsible for the ferromagnetic behavior in Au GNPs. As a consequence, the amazing ferromagnetism in Au NPs should not be associated with the presence of magnetic impurities.

  11. The impact of impurities on long-term PEMFC performance

    SciTech Connect

    Garzon, Fernando H; Lopes, Thiago; Rockward, Tommy; Mukundan, Rangachary; Sansinena, Jose - Maria; Kienitz, Brian

    2009-06-23

    Electrochemical experimentation and modeling indicates that impurities degrade fuel cell performance by a variety of mechanisms. Electrokinetics may be inhibited by catalytic site poisoning from sulfur compounds and CO and by decreased local proton activity and mobility caused by the presence of foreign salt cations or ammonia. Cation impurity profiles vary with current density, valence and may change local conductivity and water concentrations in the ionomer. Nitrogen oxides and ammonia species may be electrochemically active under fuel cell operating conditions. The primary impurity removal mechanisms are electrooxidation and water fluxes through the fuel cell.

  12. Extraction process for removing metallic impurities from alkalide metals

    DOEpatents

    Royer, L.T.

    1987-03-20

    A development is described for removing metallic impurities from alkali metals by employing an extraction process wherein the metallic impurities are extracted from a molten alkali metal into molten lithium metal due to the immiscibility of the alkali metals in lithium and the miscibility of the metallic contaminants or impurities in the lithium. The purified alkali metal may be readily separated from the contaminant-containing lithium metal by simple decanting due to the differences in densities and melting temperatures of the alkali metals as compared to lithium.

  13. Extraction process for removing metallic impurities from alkalide metals

    DOEpatents

    Royer, Lamar T.

    1988-01-01

    A development is described for removing metallic impurities from alkali metals by employing an extraction process wherein the metallic impurities are extracted from a molten alkali metal into molten lithium metal due to the immiscibility of the alkali metals in lithium and the miscibility of the metallic contaminants or impurities in the lithium. The purified alkali metal may be readily separated from the contaminant-containing lithium metal by simple decanting due to the differences in densities and melting temperatures of the alkali metals as compared to lithium.

  14. Long-range exchange interaction between magnetic impurities in graphene

    NASA Astrophysics Data System (ADS)

    Agarwal, M.; Mishchenko, E. G.

    2017-02-01

    The effective spin exchange RKKY coupling between impurities (adatoms) on graphene mediated by conduction electrons is studied as a function of the strength of the potential part of the on-site energy U of the electron-adatom interaction. With increasing U , the exchange coupling becomes long range, determined largely by the impurity levels with energies close to the Dirac points. When adatoms reside on opposite sublattices, their exchange coupling, normally antiferromagnetic, becomes ferromagnetic and resonantly enhanced at a specific distance where an impurity level crosses the Dirac point.

  15. Surface Characterization of Impurities in Superconducting Niobium for Radio Frequency (RF) Cavities used in Particle Accelerators

    NASA Astrophysics Data System (ADS)

    Maheshwari, Prateek

    Niobium (Nb) is the material of choice for Superconducting Radio Frequency (SRF) Cavities used in particle accelerators owing to its high critical temperature (Tc = 9.2 K) and critical magnetic field (≈ 200mT). However, niobium tends to harbor interstitial impurities such as H, C, O and N, which are detrimental to cavity performance. Since the magnetic field penetration depth (lambda) of niobium is 40nm, it is important to characterize these impurities using surface characterization techniques. Also, it is known that certain heat treatments improve cavity efficiency via interstitial impurity removal from the surface of niobium. Thus, a systematic study on the effect of these heat treatments on the surface impurity levels is needed. In this work, surface analysis of both heat treated and non heat treated (120°C-1400°C) large grain (single crystal) bulk niobium samples was performed using secondary ion mass spectrometry (SIMS) and Transmission Electron Microscopy (TEM). Impurity levels were compared on the surface using SIMS after various types of heat treatments expected to improve cavity performance, and the effect of these heat treatments on the surface impurities were examined. SIMS characterization of ion implanted standards of C, N, O, D showed that quantification of C, N and O impurities in Nb is achievable and indicated that H is very mobile in Nb. It was hence determined that quantification of H in Nb is not possible using SIMS due to its high diffusivity in Nb. However, a comparative study of the high temperature heat treated (600°C-1400°C) and non heat treated (control) samples revealed that hydrogen levels decreased by upto a factor of 100. This is attributed to the dissociation of the niobium surface oxide layer, which acts as a passivating film on the surface, and subsequent desorption of hydrogen. Reformation of this oxide layer on cool down disallows any re-absorption of hydrogen, indicating that the oxide acts as a surface barrier for

  16. LSPR based fiber optic sensor for fluoride impurity sensing in potable water

    NASA Astrophysics Data System (ADS)

    Tambe, Abhay; Kumbhaj, S.; Lalla, N. P.; Sen, P.

    2016-10-01

    We have designed localised surface plasmon resonance (LSPR) based fiber optic sensor. Silver nanoparticles are deposited on a few centimetre length of bare core at the middle part of plastic clad silica fiber by means of a simple and low cost laser induced nanoparticle deposition technique. The nanoparticle deposition was confirmed by TEM analysis. The nanoparticle coated fiber is used to design the sensor and the response of sensor was studied to sense fluoride impurity in water.

  17. Implementation and use of Robust Refinement in Powder Diffraction in the Presence of Impurities

    SciTech Connect

    Stone, K.; Lapidus, S; Stephens, P

    2009-01-01

    A modification to the usual least-squares analysis is implemented for the robust refinement of structural parameters from powder diffraction data in the presence of unmodeled impurities. This is accomplished in the program TOPAS-Academic by an iterative reweighting of the data as the model is refined. The method is tested and characterized using mixtures of known materials, acetaminophen and ibuprofen. The technique is also used to refine two previously unknown structures.

  18. Gyrokinetic simulations of ion and impurity transport

    NASA Astrophysics Data System (ADS)

    Estrada-Mila, C.; Candy, J.; Waltz, R. E.

    2005-02-01

    A systematic study of turbulent particle and energy transport in both pure and multicomponent plasmas is presented. In this study, gyrokinetic results from the GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] are supplemented with those from the GLF23 [R. E. Waltz, G. M. Staebler, W. Dorland et al., Phys. Plasmas 4, 2482 (1997)] transport model, as well as from quasilinear theory. Various results are obtained. The production of a particle pinch driven by temperature gradients (a thermal pinch) is demonstrated, and further shown to be weakened by finite electron collisionality. Helium transport and the effects of helium density gradient and concentration in a deuterium plasma are examined. Interestingly, it is found that the simple D-v (diffusion versus convective velocity) model of impurity flow is consistent with results obtained from nonlinear gyrokinetic simulations. Also studied is the transport in a 50-50 deuterium-tritium plasma, where a symmetry breaking is observed indicating the potential for fuel separation in a burning plasma. Quasilinear theory together with linear simulations shows that the symmetry breaking which enhances the tritium confinement arises largely from finite-Larmor-radius effects. To justify the numerical methods used in the paper, a variety of linear benchmarks and nonlinear grid refinement studies are detailed.

  19. EMC3-EIRENE modelling of edge impurity transport in the stochastic layer of the large helical device compared with extreme ultraviolet emission measurements

    NASA Astrophysics Data System (ADS)

    Dai, Shuyu; Kobayashi, M.; Kawamura, G.; Morita, S.; Zhang, H. M.; Oishi, T.; Feng, Y.; Wang, D. Z.; Suzuki, Y.; the LHD Experimental Group

    2016-06-01

    The transport properties and line emissions of carbon impurity in the stochastic layer of the Large Helical Device have been investigated with the 3D edge transport code EMC3-EIRENE. A parameter study has been performed to examine the sensitivity of the simulation results on each transport term in the impurity transport model and the impurity source characteristics, i.e. the source amount and the location. The modelling has revealed that in order to reproduce the experimental results of the emission distribution, the impurity perpendicular transport coefficient (D imp) and the first wall source play important roles, while changes to the ion thermal and the friction forces are rather irrelevant. The detailed study of flux tube tracing and magnetic field structure in the edge stochastic layer, in relation to impurity transport, has shown that the deeper penetration of impurity into the higher plasma density region due to the enhanced D imp and the first wall source is responsible for the change of emission pattern as well as the intensity. The analysis indicates that D imp might be larger than that of background plasma by a few factors and also that there probably exists a substantial amount of first wall impurity source.

  20. Diagram theory for the twofold-degenerate Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Moskalenko, V. A.; Dohotaru, L. A.; Digor, D. F.; Cebotari, I. D.

    2014-02-01

    We develop a diagram technique for investigating the twofold-degenerate Anderson impurity model in the normal state with the strong electronic correlations of d electrons of the impurity ion taken into account. We discuss the properties of the Slater-Kanamori model of d electrons. After finding the eigenfunctions and eigenvalues of all 16 local states, we determine the local one-particle propagator. We construct the perturbation theory around the atomic limit of the impurity ion and obtain a Dyson-type equation establishing the relation between the impurity electron propagator and the normal correlation function. As a result of summing infinite series of ladder diagrams, we obtain an approximation for the correlation function.

  1. Transport Simulations of DIII-D Discharges with Impurity Injection

    NASA Astrophysics Data System (ADS)

    Mandrekas, J.; Stacey, W. M.; Murakami, M.

    2001-10-01

    Several recent DIII-D discharges with external impurity injection into L-mode plasmas are analyzed with a coupled main plasma and multi-charge state 1frac 12-D impurity transport code. These discharges exhibit various degrees of confinement improvement, which has been attributed to the synergistic effects of impurity induced enhancement of the E×B shearing rate and reduction of the drift wave turbulence growth rate (M. Murakami, et. al., Nucl. Fusion 41) (2001) 317.. Impurity transport is described by empirical and neoclassical transport models. Both the standard neoclassical theory as well as an enhanced theory which takes into account the effects of external momentum input and radial momentum transport (W.M. Stacey, Phys. Plasmas 8) (2001) 158. have been considered.

  2. Effect of impurities in industrial salts on aluminum scrap melting

    SciTech Connect

    Ye, J.; Sahai, Y.; Revet, A.

    1996-10-01

    Aluminum scrap such as Used Beverage Containers (UBC) is melted under a protective molten salt cover. An appropriate salt protects metal from oxidation, promotes coalescence of molten droplets, and separates clean metal from the oxide contamination. Generally, the salt compositions for aluminum scrap recycling are based on equimolar mixtures of NaCl and KCl. A small amount of fluoride is also added in the salt. In the past, laboratory research at universities and industrial laboratories have been limited to pure salts. However, the industrial salts have impurities such as sulfates and other insoluble materials. These impurities have a pronounced effect on the efficiency of the scrap remelting process. In this paper, the role of impurities in industrial salts in terms of their chemical interactions with the metal are summarized. The efficiency of different industrial grade salts containing varying amounts of sulfates and other insoluble impurities for scrap recycling is compared.

  3. Runaway electron dynamics in tokamak plasmas with high impurity content

    SciTech Connect

    Martín-Solís, J. R.; Loarte, A.; Lehnen, M.

    2015-09-15

    The dynamics of high energy runaway electrons is analyzed for plasmas with high impurity content. It is shown that modified collision terms are required in order to account for the collisions of the relativistic runaway electrons with partially stripped impurity ions, including the effect of the collisions with free and bound electrons, as well as the scattering by the full nuclear and the electron-shielded ion charge. The effect of the impurities on the avalanche runaway growth rate is discussed. The results are applied, for illustration, to the interpretation of the runaway electron behavior during disruptions, where large amounts of impurities are expected, particularly during disruption mitigation by massive gas injection. The consequences for the electron synchrotron radiation losses and the resulting runaway electron dynamics are also analyzed.

  4. Photon-modulated impurity scattering on a topological insulator surface

    NASA Astrophysics Data System (ADS)

    Deng, Ming-Xun; Deng, W. Y.; Shao, D. X.; Wang, Rui-Qiang; Shen, R.; Sheng, L.; Xing, D. Y.

    2017-03-01

    We consider the Dirac electron scattering off a pointlike impurity absorbed on the surface of a topological insulator, which is irradiated by a beam of circularly polarized light. It is found that the Dirac electron backscattering is allowed even for a nonmagnetic impurity due to the reshuffled spectrum caused by the light, and so exhibits interesting spin texture and Friedel oscillation in the real space. Furthermore, in the charge density of states, the interplay of the light irradiation and impurity scattering can lead to an in-gap bound state around the Dirac point, heavily modulating the Dirac dispersion. We discuss the different scenarios for resonant and off-resonant lights in detail. The impurity scattering feature is sensitive to the parameters of the polarized light, which suggests a possibility to optically manipulate the topological surface states.

  5. 40 CFR 161.167 - Discussion of formation of impurities.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) Technical grade active ingredients and products produced by an integrated system. (1) Each impurity... measures used to produce the product. (b) Products not produced by an integrated system. Each...

  6. Parallel impurity dynamics in the TJ-II stellarator

    NASA Astrophysics Data System (ADS)

    Alonso, J. A.; Velasco, J. L.; Calvo, I.; Estrada, T.; Fontdecaba, J. M.; García-Regaña, J. M.; Geiger, J.; Landreman, M.; McCarthy, K. J.; Medina, F.; Van Milligen, B. Ph; Ochando, M. A.; Parra, F. I.; the TJ-II Team; the W7-X Team

    2016-07-01

    We review in a tutorial fashion some of the causes of impurity density variations along field lines and radial impurity transport in the moment approach framework. An explicit and compact form of the parallel inertia force valid for arbitrary toroidal geometry and magnetic coordinates is derived and shown to be non-negligible for typical TJ-II plasma conditions. In the second part of the article, we apply the fluid model including main ion-impurity friction and inertia to observations of asymmetric emissivity patterns in neutral beam heated plasmas of the TJ-II stellarator. The model is able to explain qualitatively several features of the radiation asymmetry, both in stationary and transient conditions, based on the calculated in-surface variations of the impurity density.

  7. Runaway electron dynamics in tokamak plasmas with high impurity content

    NASA Astrophysics Data System (ADS)

    Martín-Solís, J. R.; Loarte, A.; Lehnen, M.

    2015-09-01

    The dynamics of high energy runaway electrons is analyzed for plasmas with high impurity content. It is shown that modified collision terms are required in order to account for the collisions of the relativistic runaway electrons with partially stripped impurity ions, including the effect of the collisions with free and bound electrons, as well as the scattering by the full nuclear and the electron-shielded ion charge. The effect of the impurities on the avalanche runaway growth rate is discussed. The results are applied, for illustration, to the interpretation of the runaway electron behavior during disruptions, where large amounts of impurities are expected, particularly during disruption mitigation by massive gas injection. The consequences for the electron synchrotron radiation losses and the resulting runaway electron dynamics are also analyzed.

  8. Energy levels of isoelectronic impurities by large scale LDA calculations

    SciTech Connect

    Li, Jingbo; Wang, Lin-Wang

    2002-11-22

    Isoelectronic impurity states are localized states induced by stoichiometric single atom substitution in bulk semiconductor. Photoluminescence spectra indicate deep impurity levels of 0.5 to 0.9eV above the top of valence band for systems like: GaN:As, GaN:P, CdS:Te, ZnS:Te. Previous calculations based on small supercells seemingly confirmed these experimental results. However, the current ab initio calculations based on thousand atom supercells indicate that the impurity levels of the above systems are actually much shallower(0.04 to 0.23 eV), and these impurity levels should be compared with photoluminescence excitation spectra, not photoluminescence spectra.

  9. Effect of impurity doping in gapped bilayer graphene

    SciTech Connect

    Han, Qi; Yan, Baoming; Jia, Zhenzhao; Niu, Jingjing; Yu, Dapeng; Wu, Xiaosong

    2015-10-19

    Impurity doping plays a pivotal role in semiconductor electronics. We study the doping effect in a two-dimensional semiconductor, gapped bilayer graphene. By employing in situ deposition of calcium on the bilayer graphene, dopants are controllably introduced. Low temperature transport results show a variable range hopping conduction near the charge neutrality point persisting up to 50 K, providing evidence for the impurity levels inside the gap. Our experiment confirms a predicted peculiar effect in the gapped bilayer graphene, i.e., formation of in-gap states even if the bare impurity level lies in the conduction band. The result provides perspective on the effect of doping and impurity levels in semiconducting bilayer graphene.

  10. Isolation and structure characterization of related impurities in etimicin intermediate P1 by LC/ESI-MS(n) and NMR.

    PubMed

    Wang, Yuanchao; Zhang, Zhijie; Wu, Lingyun; Zhang, Xiaoqi; Wang, Hao; Ye, Wencai; Li, Ping

    2014-08-01

    Etimicin intermediate 3,2″,6″-N,N,N-triacetyl gentamicin C1a (P1), is a key intermediate of etimicin, which is a semi-synthetic aminoglycoside antibiotic effective to both gram-positive and gram-negative bacteria infections. Four major related impurities of P1 were detected by HPLC-ELSD and ESI-MS(n) methods. Weakly acidic cation exchange resin, CM-sephadex and silica gel column chromatography were used for the isolation and purification of four major impurities. By means of ESI-MS(n) and NMR analysis, related impurities were characterized as 3,2″-N,N-diacetyl gentamicin C1a (1), 3,2″,6″-N,N,N-triacetyl gentamicin C2b (2), 2″-N-acetyl gentamicin C1a (3), and 2″,6″-N,N-diacetyl gentamicin C1a (4). Impurities 1, 2, 4 are novel compounds and the NMR data of these isolates were first reported in this paper. The possible mechanism for the formation of these impurities is also discussed.

  11. 14N NQR Studies of Impurity Effects on the Local Structure of NaNO2 -based Mixed Systems

    NASA Astrophysics Data System (ADS)

    Song, S. K.; Park, Y. M.; Jung, J. K.; Seo, Y. M.; Choh, S. H.

    2000-02-01

    The influence of impurities on the 14N NQR lineshape of Na1-xAgxNO2 and [NaNO2]1-x-[BNO3]x (B = Na, K) at room temperature has been investigated. Carrying out spectral analysis in conjunction with classification of the local field inhomogeneities according to the structurally isomorphic, Na1-xAgxNO2 , and anisomorphic [NaNO2]1-x[BNO3]x systems, enabled an under-standing of the microscopic nature of impurity-induced local disorder. The iso-and anisomorphic systems reveal their own unique features of the impurity induced local disorder. They are charac-terized by a static, random distribution of impurities in the isomorphic system and a fast motion of the impurity-induced mobile point defects in the anisomorphic system. However, for both systems, neither a change of the 14N NQR frequency nor a multisplitting of the lines is observed because of the relatively low symmetry.

  12. Separation and determination of impurities in paracetamol, codeine and pitophenone in the presence of fenpiverinium in combined suppository dosage form.

    PubMed

    Vojta, Jiří; Hanzlík, Pavel; Jedlička, Aleš; Coufal, Pavel

    2015-01-01

    A new HPLC method for separation and determination of impurities in paracetamol, codeine phosphate hemihydrate and pitophenone hydrochloride in the presence of fenpiverinium bromide in combined suppository dosage form was developed and validated. The separation of paracetamol and its impurities 4-aminophenol, 4-nitrophenol, 4-chloracetanilid; codeine and its impurities methylcodeine, morphine, codeine dimer and 10-hydroxycodeine; pitophenone and its impurities 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl] benzoic acid, 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzoic acid 2-(1-piperidinyl)-ethyl ester, methyl ester of 2-(4-hydroxybenzoyl) benzoic acid and fenpiverinium was achieved by using ion-pair reversed phase liquid chromatography with UV detection. Validation parameters such as the precision, accuracy, linearity, limit of detection (LOD), limit of quantification (LOQ) and robustness were verified for all the mentioned impurities of codeine phosphate hemihydrate and 4-aminophenol and 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl] benzoic acid as the main degradation products of paracetamol and pitophenone hydrochloride, respectively. The described method was found to be useful for analysis of the stability samples and therefore suitable for routine purity testing of the drug product.

  13. Removal of impurities from zirconium tetrafluoride using metallic zirconium chips

    NASA Astrophysics Data System (ADS)

    Rusakov, I. Yu.; Buinovskii, A. S.; Sofronov, V. L.

    2016-11-01

    The sublimation refining of zirconium tetrafluoride (ZTF) from impurities in the presence of metallic zirconium chips is studied. It is shown that, in the presence of metallic zirconium chips, the contents of aluminum, nickel, oxygen, chromium, iron, and silicon impurities in a desublimate decrease and the rate of ZTF sublimation increases. The method of refining is tested under laboratory and pilot conditions and can be recommended for commercial application.

  14. Interactions of Ultracold Impurity Particles with Bose-Einstein Condensates

    DTIC Science & Technology

    2015-06-23

    STATEMENT 13. SUPPLEMENTARY NOTES 14. ABSTRACT Research on interactions between quantum gases and impurities has become an active area of AMO . Here...2015 Abstract. Research on interactions between quantum gases and impurities (ions, other atoms etc.) has become an active area of AMO research...respectively. Green and red electrodes are grounded. PRL 107, 103001 (2011) P HY S I CA L R EV I EW LE T T E R S week ending 2 SEPTEMBER 2011 0031-9007=11

  15. Effects of Zr impurity on microscopic behavior of Hf metal

    NASA Astrophysics Data System (ADS)

    Dey, S. K.; Dey, C. C.; Saha, S.

    2016-08-01

    Hf metal with ∼ 3 wt% Zr impurity has been reinvestigated by perturbed angular correlation (PAC) spectroscopy using a LaBr3(Ce)-BaF2 detector set up to understand the microscopic behavior of this metal with temperature. From present measurements, five quadrupole interaction frequencies have been found at room temperature where both pure hcp fraction (∼33%) with 12 nearest neighbor Hf surrounding the probe 181Hf atom and the probe-impurity fraction (∼33%) corresponding to 11 nearest neighbor Hf plus one dissimilar Zr atom are clearly distinguished. At room temperature, the results for quadrupole frequency and asymmetry parameter are found to be ωQ=51.6(4) Mrad/s, η=0.20(4) for the impurity fraction and ωQ=46.8(2) Mrad/s, η=0 for the pure fraction with values of frequency distribution width δ=0 for both components. At 77 K, only 1 NN Zr impurity (∼93%) and pure hcp (∼7%) components have been found with a value of δ ∼ 10% for the impurity fraction. A drastic change in microstructural configuration of Hf metal is observed at 473 K where the impurity fraction increases to ∼ 50% and the pure hcp fraction reduces to ∼ 15% with abrupt changes in quadrupole frequencies for both components. The pure fraction then increases with temperature and enhances to ∼50% at 973 K. In the temperature range 473-973 K, quadrupole frequencies for both components are found to decrease slowly with temperature. Using the Arrhenius relation, binding energy (B) for the probe-impurity pair and the entropy of formation are measured from temperature dependent fractions of probe-impurity and pure hcp in the temperature range 473-773 K. The three other minor components found at different temperatures are attributed to crystalline defects.

  16. Impurity control and corrosion resistance of magnesium-aluminum alloy

    SciTech Connect

    Liu, M.; Song, GuangLing

    2013-01-01

    The corrosion resistance of magnesium alloys is very sensitive to the contents of impurity elements such as iron. In this study, a series of diecast AXJ530 magnesium alloy samples were prepared with additions of Mn and Fe. Through a comprehensive phase diagram calculation and corrosion evaluation, the mechanisms for the tolerance limit of Fe in magnesium alloy are discussed. This adds a new dimension to control the alloying impurity in terms of alloying composition design and casting conditions.

  17. Acetylated lysozyme as impurity in lysozyme crystals: constant distribution coefficient

    NASA Astrophysics Data System (ADS)

    Thomas, B. R.; Chernov, A. A.

    2001-11-01

    Hen egg white lysozyme (HEWL) was acetylated to modify molecular charge keeping the molecular size and weight nearly constant. Two derivatives, A and B, more and less acetylated, respectively, were obtained, separated, purified and added to the solution from which crystals of tetragonal HEWL crystals were grown. Amounts of the A and B impurities added were 0.76, 0.38 and 0.1 mg/ml and 0.43, 0.22, 0.1 mg/ml, respectively. The HEWL concentration were 20, 30 and 40 mg/ml. The crystals grown in 18 experiments for each impurity concentration and supersaturation were dissolved and quantities of A or B additives in these crystals were analyzed by cation exchange high performance liquid chromatography. All the data for each set of 18 samples with the different impurity and regular HEWL concentrations is well described by one distribution coefficient K=2.15±0.13 for A and K=3.42±0.25 for B. According to definition of K by Eq. (1) in the text, the condition K=const is equivalent to a decrease of impurity amount in the crystal as the supersaturation increases. The observed independence of the distribution coefficient on both the impurity concentration and supersaturation is explained by the dilution model described in this paper. It shows that the impurity adsorption and incorporation rates are proportional to the impurity concentration and that the growth rate is proportional to the concentration of crystallizing protein in solution. The frequency at which an impurity molecules irreversibly join the crystal was estimated to be 3 s -1, much higher than such frequency for regular crystal molecules 5×10 -2 s -1 at 30 mg/ml lysozyme concentration. Reasons for this inequality are discussed.

  18. The influence of finite impurity size on heterogeneous nucleation

    NASA Technical Reports Server (NTRS)

    Weinberg, Michael C.

    1992-01-01

    The effects of the finite size of impurities upon the heterogeneous nucleation rate is examined. Simple arguments based upon probability theory are used to find the relative nucleation rate, p(j), on particles containing j nuclei. The expression for p(j) is used in turn to compute the overall nucleation rate and average number of nuclei on an impurity as a function of time.

  19. Impurities block the alpha to omega martensitic transformation in titanium.

    PubMed

    Hennig, Richard G; Trinkle, Dallas R; Bouchet, Johann; Srinivasan, Srivilliputhur G; Albers, Robert C; Wilkins, John W

    2005-02-01

    Impurities control phase stability and phase transformations in natural and man-made materials, from shape-memory alloys to steel to planetary cores. Experiments and empirical databases are still central to tuning the impurity effects. What is missing is a broad theoretical underpinning. Consider, for example, the titanium martensitic transformations: diffusionless structural transformations proceeding near the speed of sound. Pure titanium transforms from ductile alpha to brittle omega at 9 GPa, creating serious technological problems for beta-stabilized titanium alloys. Impurities in the titanium alloys A-70 and Ti-6Al-4V (wt%) suppress the transformation up to at least 35 GPa, increasing their technological utility as lightweight materials in aerospace applications. These and other empirical discoveries in technological materials call for broad theoretical understanding. Impurities pose two theoretical challenges: the effect on the relative phase stability, and the energy barrier of the transformation. Ab initio methods calculate both changes due to impurities. We show that interstitial oxygen, nitrogen and carbon retard the transformation whereas substitutional aluminium and vanadium influence the transformation by changing the d-electron concentration. The resulting microscopic picture explains the suppression of the transformation in commercial A-70 and Ti-6Al-4V alloys. In general, the effect of impurities on relative energies and energy barriers is central to understanding structural phase transformations.

  20. Ultrasoft X-ray Measurements of Impurity Profiles in NSTX*

    NASA Astrophysics Data System (ADS)

    Stutman, D.; Finkenthal, M.; Vero, R.; Fournier, K.; Soukhanovskii, V.; Menard, J.; Bell, M.; Bell, R.; Efthimion, P.; Kaye, S.; Leblanc, B.; Mueller, P.; Synakowski, E.; Maingi, R.; Houlberg, W.

    2001-10-01

    Three arrays of absolute photodiodes and several calibrated spectrometers measure the emission profiles and impurity spectra in the ultrasoft and soft X-ray range in NSTX. A multilayer mirror array for C VI Ly-alpha was also recently installed. Impurity density profiles are estimated by modeling these data with an atomic physics and impurity transport computational package. Many ohmic discharges show evidence for strong impurity peaking, which is reduced by either sawtooth crashes or early Reconnection Events. The peaking is associated with strong 1/1 activity. Peripheral impurity accumulation and cold island formation are observed in ELM-free H-modes.The profiles in center-stack -limited NBI discharges on the other hand, exhibit a pronounced 'well' at r/a <0.5-0.6. Modeling this profile requires a discontinuity in the core particle transport, suggesting the existence of a 'natural' internal barrier. Sheared MHD rotation is often observed at the radius of this discontinuity. Neon injection experiments were performed for a preliminary quantitative estimate of the impurity transport. The time-dependent simulation of the Ne profiles seems to support a large decrease in particle diffusion at about mid-radius. Comparison with neo-classical predictions will be discussed. *Work supported by DoE grant No. DE-FG02-99ER54523

  1. Determination of trace impurities in uranium, thorium and plutonium matrices by solvent extraction and inductively coupled plasma atomic emission spectrometry.

    PubMed

    Gopalkrishnan, M; Radhakrishnan, K; Dhami, P S; Kulkarni, V T; Joshi, M V; Patwardhan, A B; Ramanujam, A; Mathur, J N

    1997-02-01

    Studies on the determination of trace metallic impurities in nuclear materials such as uranium, thorium and plutonium are described. The bulk of the matrix is separated by batch extraction from their nitric acid solutions using 2-ethylhexyl hydrogen 2-ethylhexyl phosphonate (KSM-17, equivalent to PC88-A). The final aqueous phase containing the metallic impurities is fed to a high-temperature source inductively coupled plasma and the analysis is carried out employing a computer-controlled multichannel direct-reading spectrometer. The studies also included the recovery of impurities at various acidities and spectral interferences of the above matrices over the analyte elements. Based on the above studies, methods were standardized for the determination of 19 elements, viz. Al, B, Be, Ca, Cd, Cr, Cu, Fe, Mg, Mn, Ni, Pb, Si, Zn, Ce, Dy, Eu, Gd and Sm, in U/Th/Pu solutions. The relative standard deviation for various elements is in the range 1-5%.

  2. Decoherence time, hydrogenic-like impurity effect and Shannon entropy on polaron in RbCl triangular quantum dot qubit

    NASA Astrophysics Data System (ADS)

    Tiotsop, M.; Fotue, A. J.; Fautso, G. K.; Kenfack, C. S.; Fotsin, H. B.; Fai, L. C.

    2017-03-01

    Using Pekar variational method, Eigen energies of the ground and first excited states of the polaron in triangular bound and Coulomb potential quantum dot are derived in view of investigating the density of probability, the decoherence time and the Shannon entropy. Numerical analysis show that the decoherence time is decreasing function of polaron radius and the strength of the Coulombic impurity and the increase function of dispersion coefficient. These results suggest that the decrease of polaron radius and Coulombic impurity lead to the increase of coherence time. Also the entropy shows the oscillatory periodic evolution as function of the time due to the triangular form of the confinement. It's also seen that entropy is periodic for the lower value of Coulomb impurity parameter and for the higher value of the polaronic radius.

  3. Edge-localized-mode--induced transport of impurity density, energy, and momentum.

    PubMed

    Wade, M R; Burrell, K H; Leonard, A W; Osborne, T H; Snyder, P B

    2005-06-10

    High temporal and spatial resolution measurements of impurity dynamics associated with an edge-localized mode (ELM) indicate that the ELM perturbation consists of two distinct parts: a rapid (< 300 micros) expulsion of impurity density at the time of the instability followed by a slower time scale (< 1 ms) decrease in the ion temperature. While the density perturbation remains nearly constant over a wide range of plasma collisionality, the temperature perturbation decreases as the collisionality increases. Analysis of the radial electric field E(r) evolution indicates that the E(r) well normally present in H-mode plasmas is modified strongly by the ELM and that the size of the temperature perturbation is correlated with the associated change in the E x B shear.

  4. Interdiffusion and impurity diffusion in polycrystalline Mg solid solution with Al or Zn

    SciTech Connect

    Kammerer, Catherine; Kulkarni, Nagraj S; Warmack, Robert J Bruce; Sohn, Yong Ho

    2014-01-01

    Interdiffusion and impurity diffusion in Mg binary solid solutions, Mg(Al) and Mg(Zn) were investigated at temperatures ranging from 623 to 723 K. Interdiffusion coef cients were determined via the Boltzmann Matano Method using solid-to-solid diffusion couples assembled with polycrystalline Mg and Mg(Al) or Mg(Zn) solid solutions. In addition, the Hall method was employed to extrapolate the impurity diffusion coef cients of Al and Zn in pure polycrystalline Mg. For all diffusion couples, electron micro-probe analysis was utilized for the measurement of concentration pro les. The interdiffusion coef cient in Mg(Zn) was higher than that of Mg(Al) by an order of magnitude. Additionally, the interdiffusion coef cient increased signi cantly as a function of Al content in Mg(Al) solid solution, but very little with Zn content in Mg(Zn) solid solution. The activation energy and pre-exponential factor for the average effective interdiffusion coef cient in Mg(Al) solid solution were determined to be 186.8 ( 0.9) kJ/mol and 7.69 x 10-1 ( 1.80 x 10-1) m2/s, respectively, while those determined for Mg(Zn) solid solution were 139.5 ( 4.0) kJ/mol and 1.48 x 10-3 ( 1.13 x 10-3) m2/s. In Mg, the Zn impurity diffusion coef cient was an order of magnitude higher than the Al impurity diffusion coef cient. The activation energy and pre-exponential factor for diffusion of Al impurity in Mg were determined to be 139.3 ( 14.8) kJ/mol and 6.25 x 10-5 ( 5.37 x 10-4) m2/s, respectively, while those for diffusion of Zn impurity in Mg were determined to be 118.6 ( 6.3) kJ/mol and 2.90 x 10-5 ( 4.41 x 10-5) m2/s.

  5. Determination of elemental impurities in pharmaceutical products and related matrices by ICP-based methods: a review.

    PubMed

    Barin, Juliano S; Mello, Paola A; Mesko, Marcia F; Duarte, Fabio A; Flores, Erico M M

    2016-07-01

    Interest in the determination of elemental impurities in pharmaceuticals has increased in recent years because of changes in regulatory requirements and the need for changing or updating the current limit tests recommended in pharmacopeias. Inductively coupled plasma (ICP) optical emission spectrometry and ICP mass spectrometry are suitable alternatives to perform multielemental analysis for this purpose. The main advantages and limitations of these techniques are described, covering the applications reported in the literature in the last 10 years mainly for active pharmaceutical ingredients, raw materials, and pharmaceutical dosage forms. Strategies used for sample preparation, including dissolution in aqueous or organic solvents, extraction, wet digestion and combustion methods are described, as well as direct solid analysis and ICP-based systems applied for speciation analysis. Interferences observed during the analysis of pharmaceutical products using ICP-based methods are discussed. Methods currently recommended by pharmacopeias for elemental impurities are also covered, showing that the use of ICP-based methods could be considered as a trend in the determination of these impurities in pharmaceuticals. However, the development of a general method that is accurate for all elemental impurities and the establishment of an official method are still challenges. In this regard, the main drawbacks and suitable alternatives are discussed.

  6. Development and validation of a specific and sensitive GC-FID method for the determination of impurities in 5-chlorovaleroyl chloride.

    PubMed

    Tang, Liya; Kim, Alexandre; Miller, Scott A; Lloyd, David K

    2010-11-02

    5-Chlorovaleroyl chloride (5-CVC) is commonly used as an alkylating agent in the synthesis of pharmaceutical intermediates, active ingredients, as well as other specialty chemicals. It is critical to monitor the impurities present in 5-CVC as they may have a direct impact on the impurity profile and quality of the final product. This paper describes the development and validation of a GC-FID method for the analysis of low level impurities of 5-CVC. This is the first method reported in the literature for the impurity determination of 5-CVC. The results of GC method development, with and without sample derivatization, are presented. The final method uses methanol for derivatization and separates methyl esters of 5-CVC and the key impurities, 4-pentenoyl chloride, 4-chlorovaleroyl chloride, 5-chlorohexanoyl chloride, and 4-methyl-5-chlorovaleroyl chloride. 3-Methoxypyridine was used in the sample solvent to enable the detection of 5-chlorovaleric acid (5-CVA) which is the major degradant of 5-CVC. The method was validated for specificity, linearity, accuracy, precision, sensitivity, and robustness. This simple and robust GC approach may be applicable to impurity analysis of other acid chlorides or acid halides.

  7. Study on the Impurity Effect in the Realization of Silver Fixed Point

    NASA Astrophysics Data System (ADS)

    Tsai, S. F.

    2016-03-01

    The application of a thermal analysis model to estimate the temperature depression from the ideal fixed-point temperature is important, especially when the chemical analysis of the sample in a cell is insufficient or the cell might have been contaminated during fabrication. This study extends previous work, on thermal analysis with the tin point, to an investigation of the impurity dependence of the silver-point temperature. Close agreement was found between the temperature depression (-0.36 mK) inferred from the thermal analysis of the measured fixed-point plateau and the temperature depression (-0.32 mK) inferred using the sum of individual estimates (SIE) method with an impurity analysis based on glow discharge mass spectrometry. Additionally, the results of the thermal analysis manifest no significant dependence on the rate of solidification, and the scatter of observed gradients was within 0.36 mK among five plateaux with different temperature settings of the furnace. Although the results support the application of both the SIE method and thermal analysis for the silver point, further experiments with cell-to-cell comparisons linked to thermal analysis, a study of the thermometer-furnace systematic effects, the oxygen effect, and the locus of the freezing plateau should be investigated to reach a firm conclusion.

  8. Universality, multiplicity, and the effect of iron impurities in the Belousov-Zhabotinskii reaction

    NASA Astrophysics Data System (ADS)

    Coffman, K. G.; McCormick, W. D.; Noszticzius, Z.; Simoyi, Reuben H.; Swinney, Harry L.

    1987-01-01

    In experiments on the Belousov-Zhabotinskii reaction in a flow reactor we have observed dynamical behavior that is described well by one-dimensional maps with a single maximum. A sequence of period doubling bifurcations was observed as a parameter was varied, and beyond the accumulation point for the period doubling sequence there was a sequence of periodic states that has the same symbolic dynamics as the states of the U (universal) sequence of Metropolis, Stein, and Stein (1973). However, in another experiment with malonic acid from a different vendor, we found that some states with particular symbol sequences occurred in three different parameter ranges rather than in one range as in the U sequence. Analysis of the effect of impurities in the reagents showed that some impurities (e.g., Fe3+ and esters of malonic acid) at concentrations of only a few ppm produced dramatic changes in the dynamics; such impurities are contained in commercially available malonic acid. Experiments with purified malonic acid indicate that the Fe2+/Fe3+ and Cu+/Cu2+ redox couples act as co-catalysts of the Belousov-Zhabotinskii reaction; their effect can be explained by a free radical mechanism. Other metal ions (e.g., Ni2+ and Co2+) at low concentrations have negligible effect on the dynamics. Finally, both the sequences with universal ordering and the sequences with multiplicity are described well by indented trapezoid maps of the type analyzed by Beyer, Mauldin, and Stein (1986).

  9. Bacteriophage and impurity carryover and total organic carbon release during extended protein A chromatography.

    PubMed

    Lute, Scott; Brorson, Kurt

    2009-05-01

    In the biopharmaceutical industry, column chromatography residuals are routinely assessed by the direct measurement of mock eluates. In this study, we evaluated virus and other impurity carryover between protein A cycles and the feasibility of using a total organic carbon (TOC) analyzer to monitor for column impurity leakage as a correlate for actual measured carryover in mock eluates. Commercial process intermediates were used in scaled down studies of two protein A media, ProSep A (Millipore, Bedford, MA, USA) and MabSelect SuRe (GE Healthcare, Uppsala, Sweden). The chromatography system was programmed to run up to 200 normal load/elution cycles with periodic blank cycles to measure protein and phage carryover, and water flush cycles to measure TOC release. Sustained phage carryover was evident in each study. Carryover and TOC release was lowest in the case where cleaning was most stringent (50 mM NaOH/0.5 M Na(2)SO(4) with MabSelect SuRe). The TOC analysis at this time does not appear to be a viable practical means of measuring impurity carryover; direct measurements in mock eluates appears to be more predictive of column performance.

  10. Orbital driven impurity spin effect on the magnetic order of quasi-3D cupric oxide

    NASA Astrophysics Data System (ADS)

    Ganga, B. G.; Santhosh, P. N.; Nanda, B. R. K.

    2017-04-01

    Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (=Cr, Mn, Fe, Co and Ni). The distortion in the crystal structure, arisen to reduce the band energy by minimizing the covalent interaction, creates two crisscrossing zigzag spin-1/2 chains. From the spin dimer analysis we find that while the spin chain along ≤ft[1 0 \\bar{1}\\right] has strong Heisenberg type antiferromagnetic coupling (J ~ 127 meV), along ≤ft[1 0 1\\right] it exhibits weak, but robust, ferromagnetic coupling (J ~ 9 meV) mediated by reminiscent p-d covalent interactions. The impurity effect on the magnetic ordering is independent of M and purely orbital driven. If the given spin-state of M is such that the {{d}{{x2}-{{y}2}}} orbital is spin-polarized, then the original long-range ordering is maintained. However, if {{d}{{x2}-{{y}2}}} orbital is unoccupied, the absence of corresponding covalent interaction breaks the weak ferromagnetic coupling and a spin-flip takes place at the impurity site leading to breakdown of the long range magnetic ordering.

  11. Orbital driven impurity spin effect on the magnetic order of quasi-3D cupric oxide.

    PubMed

    Ganga, B G; Santhosh, P N; Nanda, B R K

    2017-04-20

    Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (=Cr, Mn, Fe, Co and Ni). The distortion in the crystal structure, arisen to reduce the band energy by minimizing the covalent interaction, creates two crisscrossing zigzag spin-1/2 chains. From the spin dimer analysis we find that while the spin chain along [Formula: see text] has strong Heisenberg type antiferromagnetic coupling (J ~ 127 meV), along [Formula: see text] it exhibits weak, but robust, ferromagnetic coupling (J ~ 9 meV) mediated by reminiscent p-d covalent interactions. The impurity effect on the magnetic ordering is independent of M and purely orbital driven. If the given spin-state of M is such that the [Formula: see text] orbital is spin-polarized, then the original long-range ordering is maintained. However, if [Formula: see text] orbital is unoccupied, the absence of corresponding covalent interaction breaks the weak ferromagnetic coupling and a spin-flip takes place at the impurity site leading to breakdown of the long range magnetic ordering.

  12. Study of Low Molecular Weight Impurities in Pluronic Triblock Copolymers using MALDI, Interaction Chromatography, and NMR

    NASA Astrophysics Data System (ADS)

    Helming, Z.; Zagorevski, D.; Ryu, C. Y.

    2014-03-01

    Poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) triblock copolymers are a group of commercial macromolecular amphiphilic surfactants that have been widely studied for their applications in polymer-based nanotechnology and drug-delivery. It has been well-established that the synthesis of commercial Pluronic triblocks results in low molecular weight ``impurities,'' which are generally disregarded in the applications and study of these polymers. These species have been shown to have significant effects on the rheological properties of the material, as well as altering the supramolecular ``micellar'' structures for which the polymers are most often used. We have isolated the impurities from the bulk Pluronic triblock using Interaction Chromatography (IC) techniques, and subjected them to analysis by H1 NMR and MALDI (Matrix-Assisted Laser Desorption Ionization) Mass Spectrometry to identify relative block composition and molecular weight information. We report significant evidence of at least two polymeric components: a low-molecular-weight homopolymer of poly(ethylene oxide) and a ``blocky'' copolymer of both poly(ethylene oxide) and poly(propylene oxide). This has significant implications, not only for the applied usage of Pluronic triblock copolymers, but for the general scientific acceptance of the impurities and their effects on Pluronic micelle and hydrogel formation.

  13. Impurity Location-Dependent Relaxation Dynamics of Cu:CdS Quantum Dots

    NASA Astrophysics Data System (ADS)

    Choi, Dayeon; Pyo, Ji-Young; Jang, Du-Jeon

    2017-01-01

    Various types of 2% Cu-incorporated CdS (Cu:CdS) quantum dots (QDs) with very similar sizes have been prepared via a water soluble colloidal method. The locations of Cu impurities in CdS host nanocrystals have been controlled by adopting three different synthetic ways of doping, exchange, and adsorption to understand the impurity location-dependent relaxation dynamics of charge carriers. The oxidation state of incorporated Cu impurities has been found to be +1 and the band-gap energy of Cu:CdS QDs decreases as Cu2S forms at the surfaces of CdS QDs. Broad and red-shifted emission with a large Stokes shift has been observed for Cu:CdS QDs as newly produced Cu-related defects become luminescent centers. The energetically favored hole trapping of thiol molecules, as well as the local environment, inhibits the radiative recombination processes of Cu:CdS QDs, thus resulting in low photoluminescence. Upon excitation, an electron is promoted to the conduction band, leaving a hole on the valence band. The hole is transferred to the Cu+ d-state, changing Cu+ into Cu2+, which then participates in radiative recombination with an electron. Electrons in the conduction band are ensnared into shallow-trap sites within 52 ns. The electrons can be further captured on the time scale of 260 ns into deep-trap sites, where electrons recombine with holes in 820 ns. Our in-depth analysis of carrier relaxation has shown that the possibilities of both nonradiative recombination and energy transfer to Cu impurities become high when Cu ions are located at the surface of CdS QDs.

  14. The Effect of Protein Impurities on Lysozyme Crystal Growth

    NASA Technical Reports Server (NTRS)

    Judge, Russell A.; Forsythe, Elizabeth L.; Pusey, Marc L.

    1998-01-01

    While bulk crystallization from impure solutions is used industrially as a purification step for a wide variety of materials, it is a technique that has rarely been used for proteins. Proteins have a reputation for being difficult to crystallize and high purity of the initial crystallization solution is considered paramount for success in the crystallization. Although little is written on the purifying capability of protein crystallization or of the effect of impurities on the various aspects of the crystallization process, recent published reports show that crystallization shows promise and feasibility as a purification technique for proteins. In order to further examine the issue of purity in macromolecule crystallization this study investigates the effect of the protein impurities, avidin, ovalbumin and conalbumin, at concentrations up to 50%, on the solubility, crystal face growth rates and crystal purity, of the protein lysozyme. Solubility was measured in batch experiments while a computer controlled video microscope system was used to measure the f {101} and {101} lysozyme crystal face growth rates. While little effect was observed on solubility and high crystal purity was obtained (>99.99%), the effect of the impurities on the face growth rates varied from no effect to a significant face specific effect leading to growth cessation, a phenomenon that is frequently observed in protein crystal growth. The results shed interesting light on the effect of protein impurities on protein crystal growth and strengthen the feasibility of using crystallization as a unit operation for protein purification.

  15. EFFECT OF FUEL IMPURITIES ON FUEL CELL PERFORMANCE AND DURABILITY

    SciTech Connect

    Colon-Mercado, H.

    2010-09-28

    A fuel cell is an electrochemical energy conversion device that produces electricity during the combination of hydrogen and oxygen to produce water. Proton exchange membranes fuel cells are favored for portable applications as well as stationary ones due to their high power density, low operating temperature, and low corrosion of components. In real life operation, the use of pure fuel and oxidant gases results in an impractical system. A more realistic and cost efficient approach is the use of air as an oxidant gas and hydrogen from hydrogen carriers (i.e., ammonia, hydrocarbons, hydrides). However, trace impurities arising from different hydrogen sources and production increases the degradation of the fuel cell. These impurities include carbon monoxide, ammonia, sulfur, hydrocarbons, and halogen compounds. The International Organization for Standardization (ISO) has set maximum limits for trace impurities in the hydrogen stream; however fuel cell data is needed to validate the assumption that at those levels the impurities will cause no degradation. This report summarizes the effect of selected contaminants tested at SRNL at ISO levels. Runs at ISO proposed concentration levels show that model hydrocarbon compound such as tetrahydrofuran can cause serious degradation. However, the degradation is only temporary as when the impurity is removed from the hydrogen stream the performance completely recovers. Other molecules at the ISO concentration levels such as ammonia don't show effects on the fuel cell performance. On the other hand carbon monoxide and perchloroethylene shows major degradation and the system can only be recovered by following recovery procedures.

  16. Impurity studies in fusion devices using laser-fluorescence-spectroscopy

    SciTech Connect

    Husinsky, W.R.

    1980-08-01

    Resonance fluorescence excitation of neutral atoms using tunable radiation from dye lasers offers a number of unique advantages for impurity studies in fusion devices. Using this technique, it is possible to perform local, time-resolved measurements of the densities and velocity distributions of metallic impurities in fusion devices without disturbing the plasma. Velocities are measured by monitoring the fluorescence intensity while tuning narrow bandwidth laser radiation through the Doppler - broadened absorbtion spectrum of the transition. The knowledge of the velocity distribution of neutral impurities is particularly useful for the determination of impurity introduction mechanisms. The laser fluorescence technique will be described in terms of its application to metallic impurities in fusion devices and related laboratory experiments. Particular attention will be given to recent results from the ISX-B tokamak using pulsed dye lasers where detection sensitivities for neutral Fe of 10/sup 6/ atoms/cm/sup 3/ with a velocity resolution of 600 m/sec (0.1 eV) have been achieved. Techniques for exciting plasma particles (H,D) will also be discussed.

  17. Interplay of light and heavy impurities in a fusion device

    NASA Astrophysics Data System (ADS)

    Gaja, M.; Tokar, M. Z.

    2017-02-01

    ‘Breathing’ activity observed in the Large Helical Device stellarator is characterized by macro-scale oscillations of diverse plasma parameters such as the radiation losses from heavy (iron) and light (carbon and oxygen) impurities, electron density, temperature and the power absorbed in the plasma from neutral beam. They provide an example of a complex behavior in fusion plasmas triggered by the synergy effects from impurities of different species. A one-dimensional non-stationary model, describing the transport across flux surfaces in the plasma of the main and impurity neutral and charged particles, as well as of the thermal energy with the heat absorption from the neutral beam, radiation of high-Z ions from the plasma core and of low-Z impurities from the edge, is elaborated. The model is numerically realized, by applying the finite volume and ‘progonga’ methods to integrate the system of non-linearly coupled transport equations. The results of simulations presented reproduce qualitatively and essentially quantitatively the observations. The model allows prediction of the plasma and impurity environment conditions under which one has to expect ‘breathing’ oscillations.

  18. Robustness against non-magnetic impurities in topological superconductors

    NASA Astrophysics Data System (ADS)

    Nagai, Y.; Ota, Y.; Machida, M.

    2014-12-01

    We study the robustness against non-magnetic impurities in a three-dimensional topological superconductor, focusing on an effective model (massive Dirac Bogoliubov-de Gennes (BdG) Hamiltonian with s-wave on-site pairing) of CuxBi2Se3 with the parameter set determined by the first-principles calculation. With the use of the self-consistent T- matrix approximation for impurity scattering, we discuss the impurity-concentration dependence of the zero-energy density of states. We show that a single material variable, measuring relativistic effects in the Dirac-BdG Hamiltonian, well characterizes the numerical results. In the nonrelativistic limit, the odd-parity fully-gapped topological superconductivity is fragile against non-magnetic impurities, since this superconductivity can be mapped onto the p-wave superconductivity. On the other hand, in the ultrarelativistic limit, the superconductivity is robust against the non-magnetic impurities, since the effective model has the s-wave superconductivity. We derive the effective Hamiltonian in the both limit.

  19. Scaling of Tripartite Entanglement at Impurity Quantum Phase Transitions

    NASA Astrophysics Data System (ADS)

    Bayat, Abolfazl

    2017-01-01

    The emergence of a diverging length scale in many-body systems at a quantum phase transition implies that total entanglement has to reach its maximum there. In order to fully characterize this, one has to consider multipartite entanglement as, for instance, bipartite entanglement between individual particles fails to signal this effect. However, quantification of multipartite entanglement is very hard, and detecting it may not be possible due to the lack of accessibility to all individual particles. For these reasons it will be more sensible to partition the system into relevant subsystems, each containing a few to many spins, and study entanglement between those constituents as a coarse-grain picture of multipartite entanglement between individual particles. In impurity systems, famously exemplified by two-impurity and two-channel Kondo models, it is natural to divide the system into three parts, namely, impurities and the left and right bulks. By exploiting two tripartite entanglement measures, based on negativity, we show that at impurity quantum phase transitions the tripartite entanglement diverges and shows scaling behavior. While the critical exponents are different for each tripartite entanglement measure, they both provide very similar critical exponents for the two-impurity and the two-channel Kondo models, suggesting that they belong to the same universality class.

  20. Impurity control studies using SOL flow in DIII-D

    SciTech Connect

    Wade, M.R.; Hogan, J.T.; Isler, R.C.

    1998-11-01

    Experiments on DIII-D have demonstrated the efficacy of using induced scrape-off-layer (SOL) flow to preferentially enrich impurities in the divertor plasma. This SOL flow is produced through simultaneous deuterium gas injection at the midplane and divertor exhaust. Using this SOL flow, an improvement in enrichment (defined as the ratio of impurity fraction in the divertor to that in the plasma core) has been observed for all impurities in trace-level experiments (i.e., impurity level is non-perturbative), with the degree of improvement increasing with impurity atomic number. In the case of argon, exhaust gas enrichment using a modest SOL flow is as high as 17. Using this induced SOL flow technique and argon injection, radiative ELMing H-mode plasmas have been produced that combine high radiation losses (P{sub rad}/P{sub input} > 70%), low core fuel dilution (Z{sub eff} < 1.9), and good core confinement ({tau}{sub E} > 1.0 {tau}{sub E},ITER93H).

  1. Impurities in Illicit Drug Preparations: Amphetamine and Methamphetamine.

    PubMed

    Verweij, A M

    1989-06-01

    In this review, attention is paid to chromatographic and mass spectral properties of already identified impurities found to be present in frequently abused drug preparations of illegal origin of amphetamine and methamphetamine. The most commonly employed methods of synthesis of drugs of this type are briefly described. Special emphasis is given to the Leuckart route, found to be the preferred method, in the illicit production of amphetamine. Furthermore, some isolation and preconcentration methods for the contaminants are discussed. The importance of identifying impurities present in amphetamine or methamphetamine cannot be overestimated. These impurities originate mostly from the improper purification in the end stage of the different syntheses used in the clandestine manufacture of the substances; it is possible to differentiate between the several kinds of illegal drug preparations, synthesized by various methods, by means of so-called "route specific" impurities. Finally, a survey is given of the impurities already known to be present in amphetamine and methamphetamine, together with their mass spectral and some chromatographic properties.

  2. Materials identification and surveillance project item evaluation. Item: Impure mixture of plutonium oxide and uranium oxide (PUUOXBC05)

    SciTech Connect

    Allen, T.; Appert, Q.; Davis, C.

    1997-06-01

    In this report Los Alamos researchers characterize properties relevant to storage of an impure mixture of plutonium oxide and uranium oxide (impure mixed oxide (MOX) that is composed of 43.8 mass % plutonium and 17.8 mass % uranium) in accordance with the department of Energy (DOE) standard DOE-STD-3013-96. This is the first sample of an impure mixture of plutonium oxide and uranium oxide to be evaluated by the materials identification and surveillance project. Methods used to characterize the mixture include mass loss-on-calcination measurements, mass loss-on-ignition (LOI) measurements, elemental analysis, plutonium and uranium isotopic analysis, particle analyses measurements, X-ray powder diffraction, thermal desorption mass spectrometry (TDMS), and surface-area analyses. LOI measurements show a steady decrease in magnitude as the calcining temperature is increased. In contrast, calcining at progressively increasing temperatures does not appear to significantly change the specific surface area of the impure MOX. The LOI value for the powder after final 950 C calcination is 0.4 mass %. Water and carbon dioxide are the major gaseous products formed at all temperatures.

  3. Numerical simulation of impurity propagation in sea channels

    NASA Astrophysics Data System (ADS)

    Cherniy, Dmitro; Dovgiy, Stanislav; Gourjii, Alexandre

    2009-11-01

    Building the dike (2003) in Kerch channel (between Black and Azov seas) from Taman peninsula is an example of technological influence on the fluid flow and hydrological conditions in the channel. Increasing velocity flow by two times in a fairway region results in the appearance dangerous tendencies in hydrology of Kerch channel. A flow near the coastal edges generates large scale vortices, which move along the channel. A shipwreck (November 11, 2007) of tanker ``Volganeft-139'' in Kerch channel resulted in an ecological catastrophe in the indicated region. More than 1300 tons of petroleum appeared on the sea surface. Intensive vortices formed here involve part of the impurity region in own motion. Boundary of the impurity region is deformed, stretched and cover the center part of the channel. The adapted vortex singularity method for the impurity propagation in Kerch channel and analyze of the pollution propagation are the main goal of the report.

  4. Removal of fluoride impurities from UF/sub 6/ gas

    DOEpatents

    Beitz, J.V.

    1984-01-06

    A method of purifying a UF/sub 6/ gas stream containing one or more metal fluoride impurities composed of a transuranic metal, transition metal or mixtures thereof, is carried out by contacting the gas stream with a bed of UF/sub 5/ in a reaction vessel under conditions where at least one impurity reacts with the UF/sub 5/ to form a nongaseous product and a treated gas stream, and removing the treated gas stream from contact with the bed. The nongaseous products are subsequently removed in a reaction with an active fluorine affording agent to form a gaseous impurity which is removed from the reaction vessel. The bed of UF/sub 5/ is formed by the reduction of UF/sub 6/ in the presence of uv light. One embodiment of the reaction vessel includes a plurality of uv light sources as tubes on which UF/sub 5/ is formed. 2 figures.

  5. Removal of fluoride impurities from UF.sub.6 gas

    DOEpatents

    Beitz, James V.

    1985-01-01

    A method of purifying a UF.sub.6 gas stream containing one or more metal fluoride impurities composed of a transuranic metal, transition metal or mixtures thereof, is carried out by contacting the gas stream with a bed of UF.sub.5 in a reaction vessel under conditions where at least one impurity reacts with the UF.sub.5 to form a nongaseous product and a treated gas stream, and removing the treated gas stream from contact with the bed. The nongaseous products are subsequently removed in a reaction with an active fluorine affording agent to form a gaseous impurity which is removed from the reaction vessel. The bed of UF.sub.5 is formed by the reduction of UF.sub.6 in the presence of UV light. One embodiment of the reaction vessel includes a plurality of UV light sources as tubes on which UF.sub.5 is formed.

  6. Impact of diffusion limited aggregates of impurities on nematic ordering

    NASA Astrophysics Data System (ADS)

    Harkai, S.; Ambrožič, M.; Kralj, S.

    2017-02-01

    We study the impact of random bond-type disorder on two-dimensional (2D) orientational ordering of nematic liquid crystal (LC) configurations. The lattice Lebwohl-Lasher pseudospin model is used to model orientational ordering perturbed by frozen-in rod-like impurities of concentration p exhibiting the isotropic orientational probability distribution. The impurities are either (i) randomly spatially distributed or (ii) form diffusion limited aggregation (DLA)-type patterns characterized by the fractal dimensions df, where we consider cases df ∼ 1.7 and df ∼ 1.9. The degree of orientational ordering is quantified in terms of the orientational pair correlation function G(r) . Simulations reveal that the DLA pattern imposed disorder has a significantly weaker impact for a given concentration of impurities. Furthermore, if samples are quenched from the isotropic LC phase, then the fractal dimension is relatively strongly imprinted on quantitative characteristics of G(r) .

  7. Energetics of Single Substitutional Impurities in NiTi

    NASA Technical Reports Server (NTRS)

    Good, Brian S.; Noebe, Ronald

    2003-01-01

    Shape-memory alloys are of considerable current interest, with applications ranging from stents to Mars rover components. In this work, we present results on the energetics of single substitutional impurities in B2 NiTi. Specifically, energies of Pd, Pt, Zr and Hf impurities at both Ni and Ti sites are computed. All energies are computed using the CASTEP ab initio code, and, for comparison, using the quantum approximate energy method of Bozzolo, Ferrante and Smith. Atomistic relaxation in the vicinity of the impurities is investigated via quantum approximate Monte Carlo simulation, and in cases where the relaxation is found to be important, the resulting relaxations are applied to the ab initio calculations. We compare our results with available experimental work.

  8. Giant g-factors of natural impurities in synthetic quartz

    NASA Astrophysics Data System (ADS)

    Goryachev, Maxim; Farr, Warrick G.; Tobar, Michael E.

    2013-12-01

    We report the observation of g-factors of natural paramagnetic impurities in a pure synthetic quartz crystal at milli-Kelvin temperatures. Measurements are made by performing spectroscopy using multiple high-Q whispering gallery modes sustained in the crystal. Extreme sensitivity of the method at low temperatures allows the determination of natural residual impurities introduced during the crystal growth. We observe g-factors that significantly differ from integer multiples of the electron g-factor in vacuum, and with values of up to 7.6, which reveals much stronger coupling between impurities and the crystal lattice than in previous studies. Both substitutional and interstitial ions are proposed as candidates for the observed interactions.

  9. Jamming for nematic deposition in the presence of impurities

    NASA Astrophysics Data System (ADS)

    Vogel, E. E.; Valdes, J. F.; Lebrecht, W.; Ramirez-Pastor, A. J.; Centres, P.

    2017-02-01

    The deposition of one-dimensional objects (such as polymers) on a one-dimensional lattice with the presence of impurities is studied in order to find saturation conditions in what is known as jamming. Over a critical concentration of k -mers (polymers of length k ), no further depositions are possible. Five different nematic (directional) depositions are considered: baseline, irreversible, configurational, loose-packing, and close-packing. Correspondingly, five jamming functions are found, and their dependencies on the length of the lattice, L , the concentration of impurities, p =M /L (where M is the number of one-dimensional impurities), and the length of the k -mer (k ) are established. In parallel, numeric simulations are performed to compare with the theoretical results. The emphasis is on trimers (k =3 ) and p in the range [0.01,0.15], however other related cases are also considered and reported.

  10. Deep impurity trapping concepts for power semiconductor devices

    NASA Technical Reports Server (NTRS)

    Sundberg, G. R.

    1982-01-01

    High voltage semiconductor switches using deep impurity doped silicon now appear feasible for high voltage (1-100 kV), high power (10 Kw) switching and protection functions for future space power applications. Recent discoveries have demonstrated several practical ways of gating deep impurity doped silicon devices in planar configurations and of electrically controlling their characteristics, leading to a vast array of possible circuit applications. A new family of semiconductor switching devices and transducers are possible based on this technology. New deep impurity devices could be simpler than conventional p-n junction devices and yet use the same basic materials and processing techniques. In addition, multiple functions may be possible on a single device as well as increased ratings.

  11. Impurity poloidal asymmetries and plasma rotation in the PDX Tokamak

    NASA Astrophysics Data System (ADS)

    Brau, K.

    Vertical poloidal asymmetries of carbon and oxygen in the PDX Tokamak were monitored under a variety of discharge conditions in circular plasmas. Near the edge of the plasma and in the region beyond the limiter, the asymmetries appear to be caused by local impurity recycling, variations in the length of the emitting region, and effects due to vertical ion drifts. In the case of C V impurities, the sign and magnitude of the asymmetry is in qualitative agreement with the predictions of a quasi-neoclassical fluid model of impurity transport. A two dimensional computer code is used to simulate different models of poloidal asymmetries, including: (1) poloidally asymmetric source function, (2) charge exchange recombination with neutral hydrogen, (3) poloidally asymmetric electron ensity and temperature profiles, (4) poloidally varying anomalous radial diffusion coefficient, and (5) the quasi-neoclassical fluid model.

  12. Giant g-factors of natural impurities in synthetic quartz

    SciTech Connect

    Goryachev, Maxim; Farr, Warrick G.; Tobar, Michael E.

    2013-12-23

    We report the observation of g-factors of natural paramagnetic impurities in a pure synthetic quartz crystal at milli-Kelvin temperatures. Measurements are made by performing spectroscopy using multiple high-Q whispering gallery modes sustained in the crystal. Extreme sensitivity of the method at low temperatures allows the determination of natural residual impurities introduced during the crystal growth. We observe g-factors that significantly differ from integer multiples of the electron g-factor in vacuum, and with values of up to 7.6, which reveals much stronger coupling between impurities and the crystal lattice than in previous studies. Both substitutional and interstitial ions are proposed as candidates for the observed interactions.

  13. IMPURITY AND TRACER DIFFUSION STUDIES IN MAGNESIUM AND ITS ALLOYS

    SciTech Connect

    Brennan, Sarah; Sohn, Yong Ho; Warren, Andrew; Coffey, Kevin; Klimov, Mikhail; Kulkarni, Nagraj S; Todd, Peter J

    2010-01-01

    An Integrated Computational Materials Engineering (ICME) approach for optimizing processing routes for Mg-alloys requires reliable thermodynamic and diffusion databases. We are developing an impurity and tracer diffusion database using both stable and unstable isotopes for Mg and its alloys. In this study, Al impurity diffusion in pure polycrystalline Mg (99.9%) was examined using the thin film method. Approximately 500 nm thick Al films were deposited on in-situ RF plasma-cleaned polycrystalline Mg by DC magnetron sputtering from pure Al (99.9%) targets. Specimens were then diffusion annealed at 300, 350 and 400 C in quartz capsules that were evacuated to 10-8 Torr and backfilled with Ar-H2 mixtures. Concentration profile of Al diffusion profiles into single phase Mg was determined by depth-profiling technique using secondary ion mass spectroscopy. The Al impurity diffusion coefficients were determined as a function of temperature

  14. Reprint of ``Characteristics of impurity-induced pseudogap"

    NASA Astrophysics Data System (ADS)

    Numata, Yoshinori; Uto, Tatsuro; Matuda, Azusa

    2016-11-01

    We have performed STM/STS measurements on a single crystal of Bi2.1Sr1.9Ca (Cu1-xCox) 2O8+δ (Co-Bi2212), to reveal impurity effects on the pseudogap in cuprate high-Tc superconductors. We report a drastic change in the temperature dependence of a pseudogap and in the density of states (DOS) modulation with a 4a period, in a certain doping range. In the Co 4% substituted samples, the pseudogap gradually closed like a gap of a BCS superconductor for slightly overdoped and overdoped regime, while their low temperature values were enhanced due to impurity. In addition, a disappearance of a 4a periodic modulation and a development of new modulation were observed in the DOS spatial distribution. These results indicate an intimate relation between the DOS modulation and the pseudogap, and qualitative difference in the impurity enhanced pseudogap and conventional one.

  15. Stimulated emission on impurity – band optical transitions in semiconductors

    SciTech Connect

    Bekin, N A; Shastin, V N

    2015-02-28

    This paper examines conditions for population inversion and amplification in the terahertz range using impurity – band electron transitions in semiconductors and semiconductor structures. Our estimates indicate that stimulated emission on such transitions under optical excitation of impurities can be obtained in a semiconductor with a sufficiently high doping level if electron heating is restricted. At a CO{sub 2} laser pump power density near 0.2 MW cm{sup -2} (photon energy of 117 meV), the gain in n-GaAs may exceed the loss by 50 cm{sup -1} provided the electron gas temperature does not exceed 40 K. We analyse the influence of the carrier effective mass and doping compensation on the gain coefficient and briefly discuss the use of resonance tunnelling for obtaining stimulated emission on impurity – band transitions in quantum cascade heterostructures. (terahertz radiation)

  16. Power balance and characterization of impurities in the Maryland Spheromak

    SciTech Connect

    Cote, Claude

    1993-01-01

    The Maryland Spheromak is a medium size magnetically confined plasma of toroidal shape. Low Te and higher ne than expected contribute to produce a radiation dominated short-lived spheromak configuration. A pyroelectric radiation detector and a VUV spectrometer have been used for space and time-resolved measurements of radiated power and impurity line emission. Results from the bolometry and VUV spectroscopy diagnostics have been combined to give the absolute concentrations of the major impurity species together with the electron temperature. The large amount of oxygen and nitrogen ions in the plasma very early in the discharge is seen to be directly responsible for the abnormally high electron density. The dominant power loss mechanisms are found to be radiation (from impurity line emission) and electron convection to the end walls during the formation phase of the spheromak configuration, and radiation only during the decay phase.

  17. Moving impurity in an inhomogenous Bose-Einstein condensate

    NASA Astrophysics Data System (ADS)

    Mathew, Ranchu; Tiesinga, Eite

    2016-05-01

    We study the dynamics of a non-uniform Bose-Einstein condensate (BEC) under the influence of a moving weak point-like impurity. When the condensate density varies slowly compared to its healing length the critical velocity of the impurity, beyond which the condensate becomes unstable, can be calculated using the Local Density Approximation (LDA). This critical velocity corresponds to the smallest local sound speed. The LDA breaks down when the length scale of density variations is of the order of the healing length. We have calculated corrections to the critical velocity in this regime as an asymptotic expansion in the size of the BEC. We also discuss the experimental implications of our calculations by studying the stability of the atomic analogue of a Superconducting Quantum Interference Device (SQUID). The atom-SQUID consists of a BEC in a ring trap with rotating barrier. The impurity corresponds to imperfections in the ring trap.

  18. A real-time impurity solver for DMFT

    NASA Astrophysics Data System (ADS)

    Kim, Hyungwon; Aron, Camille; Han, Jong E.; Kotliar, Gabriel

    Dynamical mean-field theory (DMFT) offers a non-perturbative approach to problems with strongly correlated electrons. The method heavily relies on the ability to numerically solve an auxiliary Anderson-type impurity problem. While powerful Matsubara-frequency solvers have been developed over the past two decades to tackle equilibrium situations, the status of real-time impurity solvers that could compete with Matsubara-frequency solvers and be readily generalizable to non-equilibrium situations is still premature. We present a real-time solver which is based on a quantum Master equation description of the dissipative dynamics of the impurity and its exact diagonalization. As a benchmark, we illustrate the strengths of our solver in the context of the equilibrium Mott-insulator transition of the one-band Hubbard model and compare it with iterative perturbation theory (IPT) method. Finally, we discuss its direct application to a nonequilibrium situation.

  19. Macroscopic scattering of cracks initiated at single impurity atoms

    NASA Astrophysics Data System (ADS)

    Kermode, J. R.; Ben-Bashat, L.; Atrash, F.; Cilliers, J. J.; Sherman, D.; de Vita, A.

    2013-09-01

    Brittle crystals, such as coloured gems, have long been known to cleave with atomically smooth fracture surfaces, despite being impurity laden, suggesting that isolated atomic impurities do not generally cause cracks to deflect. Whether cracks can ever deviate when hitting an atomic defect, and if so how they can go straight in real brittle crystals, which always contain many such defects, is still an open question. Here we carry out multiscale molecular dynamics simulations and high-resolution experiments on boron-doped silicon, revealing that cracks can be deflected by individual boron atoms. The process, however, requires a characteristic minimum time, which must be less than the time spent by the crack front at the impurity site. Deflection therefore occurs at low crack speeds, leading to surface ridges which intensify when the boron-dopage level is increased, whereas fast-moving cracks are dynamically steered away from being deflected, yielding smooth cleavage surfaces.

  20. Macroscopic scattering of cracks initiated at single impurity atoms.

    PubMed

    Kermode, J R; Ben-Bashat, L; Atrash, F; Cilliers, J J; Sherman, D; De Vita, A

    2013-01-01

    Brittle crystals, such as coloured gems, have long been known to cleave with atomically smooth fracture surfaces, despite being impurity laden, suggesting that isolated atomic impurities do not generally cause cracks to deflect. Whether cracks can ever deviate when hitting an atomic defect, and if so how they can go straight in real brittle crystals, which always contain many such defects, is still an open question. Here we carry out multiscale molecular dynamics simulations and high-resolution experiments on boron-doped silicon, revealing that cracks can be deflected by individual boron atoms. The process, however, requires a characteristic minimum time, which must be less than the time spent by the crack front at the impurity site. Deflection therefore occurs at low crack speeds, leading to surface ridges which intensify when the boron-dopage level is increased, whereas fast-moving cracks are dynamically steered away from being deflected, yielding smooth cleavage surfaces.

  1. Polymeric efficiency in remove impurities during cottonseed biodiesel production

    NASA Astrophysics Data System (ADS)

    Lin, H. L.; Liang, Y. H.; Yan, J.; Lin, H. D.; Espinosa, A. R.

    2016-07-01

    This paper describes a new process for developing biodiesel by polymer from crude cottonseed oil. The study was conducted to examine the effectiveness of the alkali transesterification-flocculation-sedimentation process on fast glycerol and other impurities in the separation from biodiesel by using quaternary polyamine-based cationic polymers SL2700 and polyacylamide cationic polymer SAL1100. The settling velocity of glycerol and other impurities in biodiesel was investigated through settling test experiments; the quality of the biodiesel was investigated by evaluating the viscosity and density. The results revealed that SL2700, SAL1100 and their combination dramatically improved the settling velocity of glycerol and other impurities materials than traditional method. SL 2700 with molecular weight of 0.2 million Da and charge density of 50% then plus SAL1100 with molecular weight of 11 million Da and charge density of 10% induced observable particle aggregation with the best settling performance.

  2. Orientation-dependent impurity partitioning of colloidal crystals

    NASA Astrophysics Data System (ADS)

    Nozawa, Jun; Uda, Satoshi; Hu, Sumeng; Fujiwara, Kozo; Koizumi, Haruhiko

    2016-04-01

    Impurity partitioning during colloidal crystallization was investigated for grains with different orientations. Particles of various sizes were doped as impurities during the growth of colloidal polycrystals. The effective partition coefficient, keff, which is the impurity concentration in the solid (CS) divided by that in initial solution (CL), was measured for grains oriented in the [111] and [100] directions normal to the growth direction. The [111]-oriented grains were found to have a larger keff than [100]-oriented grains. This was analyzed by using the Thurmond and Struthers model. Though both [111]- and [100]-oriented grains were face centered cubic (fcc) structures, within several layers of crystals, the volume fraction of [111]-oriented grains was larger than that of [100]-oriented grains, yielding a larger driving force for nucleation, ΔGTr, and thus a larger equilibrium partition coefficient, k0, for [111]-oriented grains.

  3. Substitutional nitrogen impurities in pulsed-laser annealed silicon

    NASA Astrophysics Data System (ADS)

    Murakami, Kouichi; Itoh, Hisayoshi; Takita, Kôki; Masuda, Kohzoh

    1984-07-01

    Single-crystal Si samples with nitrogen (N) impurities (Si:N) and with N and phosphorus (P) impurities (Si:N:P) have been investigated by electron spin resonance measurements. It was found that substitutional N impurities Ns cannot be incorporated into Si by cw laser annealing of N ion-implanted Si or by N doping during crystal growth; however, Ns is incorporated into Si by pulsed-laser annealing (PLA) of N ion-implanted Si. The spin density of Ns decreases with doping of P shallow donors into PLA Si:N and increases by introduction of slight point defects in PLA Si:N:P. These results suggest that Ns with a negative charge are formed in PLA Si: N:P system.

  4. Isolation, Identification, and Characterisation of Degradation Products and the Development and Validation of a Stability-Indicating Method for the Estimation of Impurities in the Tolterodine Tartrate Formulation.

    PubMed

    Prakash, Lakkireddy; Himaja, Malipeddi; Vasudev, Rudraraju

    2015-01-01

    A short and sensitive stability-indicating gradient RP-UPLC method was developed for the quantitative determination of process-related impurities and degradation products of tolterodine tartrate in pharmaceutical formulations. The method was developed by using the Waters ACQUITY UPLC™ BEH shield RP18 (2.1 × 100 mm, 1.7 μm) column with a mobile phase containing a gradient mixture of solvent A and B at a detection wavelength of 210 nm. During the stress study, the degradation products of tolterodine tartrate were well-resolved from tolterodine and its impurities and the mass balances were found to be satisfactory in all the stress conditions, thus proving the stability-indicating capability of the method. The developed method was validated as per ICH guidelines with respect to specificity, linearity, limit of detection and quantification, accuracy, precision, ruggedness, and robustness. During the stability (40°C/75% RH, 3 months) analysis of the drug product, one unknown impurity was detected by the above stability-indicating method. The unknown impurity was isolated by preparative HPLC and subjected to mass and NMR studies. Based on the spectral data, the unknown impurity was characterised as 2-(3-amino-1-phenylpropyl)-4-methylphenol (des-N,N-diisopropyl tolterodine). Structural elucidation of the impurity by spectral data is discussed in detail.

  5. A validated stability-indicating liquid chromatographic method for determination of process related impurities and degradation behavior of Irbesartan in solid oral dosage.

    PubMed

    Goswami, Nishant

    2014-01-01

    The present work describes the development and validation of a stability-indicating RP-HPLC method for the estimation of degradation and process related impurities of Irbesartan, namely Impurity-1, Impurity-2, Impurity-3 and Impurity-4. The developed LC method was validated with respect to specificity, limit of detection and quantification, linearity, precision, accuracy and robustness. The chromatographic separation was achieved on Hypersil Octadecylsilyl (4.6 mm × 150 mm, 3 μm) column by using mobile phase containing a gradient mixture of solvent A (0.55% v/v ortho-phosphoric acid, pH adjusted to 3.2 with triethyl amine) and B (95:5 v/v mixture of acetonitrile and solvent A) at a flow rate of 1.2 mL/min. The detection was carried out at a wavelength of 220 nm. During method validation parameter such as precision, linearity, accuracy, specificity, limit of detection and quantification were evaluated, which remained within acceptable limits. HPLC analytical method is linear, accurate, precise, robust and specific, being able to separate the main drug from its degradation products. The degradation products were well-resolved from the main peak and its impurities, thus proving the stability-indicating power of the method. The method is stability-indicating in nature and can be used for routine analysis of production samples and to check the stability of the Irbesartan HCl tablets.

  6. Spectroscopic studies of carbon impurities in PISCES-A

    SciTech Connect

    Ra, Y.; Hirooka, Y.; Leung, W.K.; Conn, R.W. . Inst. of Plasma and Fusion Research); Pospieszczyk, A. . Inst. fuer Plasmaphysik)

    1989-08-01

    The graphite used for the limiter of the tokamak reactor produces carbon-containing molecular impurities as a result of the interactions with the edge plasma. The behavior of these molecular impurities has been studied using emission spectroscopy. The present study includes: finding molecular bands and atomic lines in the visible spectral range which can be used for the study of the molecular impurities, studying the breakup processes of the molecular impurities on their way from the source into the plasma, developing a spectroscopic diagnostic method for the absolute measurement of the molecular impurity flux resulting from graphite erosion. For these studies, carbon-containing molecules such as CH{sub 4}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and CO{sub 2} were injected into the tokamak-boundary,like plasma generated by PISCES-A. The spectrograms of these gases were taken. Many useful bands and lines were determined from the spectrograms. The breakup processes of these gases were studied by observing the spatial profiles of the emission of the molecules and their radicals for different plasma conditions. For the absolute measurement of the eroded molecular impurity flux, the photon efficiency of the lines and bands were found by measuring the absolute number of the emitted photons and injected gas molecules. The chemical sputtering yield of graphite by hydrogen plasma was spectroscopically measured using the previously obtained photon efficiencies. It showed good agreement with results obtained by weight loss measurements. 16 refs., 7 figs., 1 tab.

  7. On exchange interaction between shallow impurity centers in diluted semiconductors.

    NASA Astrophysics Data System (ADS)

    Krotkov, Pavel; Gor'kov, Lev

    2003-03-01

    We generalize the method developed in [1,2] to obtain asymptotically exact expressions for the exchange splitting in semiconductors of the levels of carriers localized on shallow impurities at small impurity concentrations (large inter-center separations). Our approach takes into account degeneracy inherent to shallow centers in most semiconductors. We also consider the effects of spin-orbital interaction and of an external magnetic field. [1] L.P. Gor'kov and L.P. Pitaevskii, Dokl. Akad. Nauk SSSR 151, 822 (1963) [Sov. Phys. Dokl. 8, 788 (1964)]. [2] C. Herring and M. Flicker, Phys. Rev. 134, A362 (1964)].

  8. A nonmagnetic impurity in a 2D quantum critical antiferromagnet

    NASA Astrophysics Data System (ADS)

    Troyer, Matthias

    2003-03-01

    We compute the properties of a mobile hole and a static impurity injected into a two-dimensional antiferromagnet or superconductor in the vicinity of a magnetic quantum critical point. A static S=1/2 impurity doped into a quantum-disordered spin gap system induces a local moment with spin S=1/2 and a corresponding Curie-like impurity susceptibility, while the same impurity in a Néel ordered state only gives a finite impurity susceptibility. For the quantum critical system however an interesting field-theoretical prediction has been made that there the impurity spin susceptibility still has a Curie-like divergence, but with a universal effective spin that is neither an integer nor a half-odd integer [1]. In large-scale quantum Monte Carlo (QMC) simulations using the loop algorithm we calculate the impurity susceptibility and find that, unfortunately, this effect is not observable since the renormalization of the effective spin away from S=1/2 is minimal. Other predictions of the field theory, such as a new critical exponent η' describing the time-dependent impurity spin correlations can however be confirmed [2]. Next we compute the spectral function of a hole injected into a 2D antiferromagnet or superconductor in the vicinity of a magnetic quantum critical point [3]. We show that, near van Hove singularities, the problem maps onto that of a static vacancy. This allows the calculation of the spectral function in a QMC simulation without encountering the negative sign problem. We find a vanishing quasiparticle residue at the critical point, a new exponent η_h0.080.04 describing the frequency dependence of the spectral function G_h(ω)(ɛ_0-ω)-1+ηh and discuss possible relevance to photoemission spectra of cuprate superconductors near the antinodal points. ^1 S. Sachdev, C. Buragohain and M. Vojta, Science 286, 2479 (1999). ^2 M. Troyer, in Prog. Theor. Phys. Suppl. 145 (2002); M. Körner and M. Troyer, ibid. ^3 S. Sachdev, M. Troyer, and M. Vojta, Phys. Rev

  9. Flat panel display Impurity doping technology for flat panel displays

    NASA Astrophysics Data System (ADS)

    Suzuki, Toshiharu

    2005-08-01

    Features of the flat panel displays (FPDs) such as liquid crystal display (LCD) and organic light emitting diode (OLED) display, etc. using low temperature poly-Si (LTPS) thin film transistors (TFTs) are briefly reviewed comparing with other FPDs. The requirements for fabricating TFTs used for high performance FPDs and system on glass (SoG) are addressed. This paper focuses on the impurity doping technology, which is one of the key technologies together with crystallization by laser annealing, formation of high quality gate insulator and gate-insulator/poly-Si interface. The issues to be solved in impurity doping technology for state of the art and future TFTs are clarified.

  10. Impurities in the heavy-Fermion superconductor UBe13

    NASA Astrophysics Data System (ADS)

    Smith, J. L.; Fisk, Z.; Willis, J. O.; Batlogg, B.; Ott, H. R.

    Small amounts of Sc, Lu, Gd, Np, Ce, Th, La, and Ba were substituted for uranium in UBe13 to observe their effects. The thorium, which was the most complete study, resulted in an extremely unusual nonmonotonic depression of the transition temperature for a nonmagnetic impurity. This comes from an interplay that exists between the lowest temperature resistivity peak and the transition temperature, as the peak is depressed. These results suggest that heavy Fermion behavior is only a necessary condition for heavy Fermion superconductivity. All of the impurities tested resulted in a transition temperature depression.

  11. Magnetic Vortex Induced by Nonmagnetic Impurity in Frustrated Magnets

    NASA Astrophysics Data System (ADS)

    Lin, Shi-Zeng; Hayami, Satoru; Batista, Cristian D.

    2016-05-01

    We study the effect of a nonmagnetic impurity inserted in a two-dimensional frustrated ferromagnet above its saturation magnetic field Hsat for arbitrary spin S . We demonstrate that the ground state includes a magnetic vortex that is nucleated around the impurity over a finite range of magnetic field Hsat≤H ≤HsatI. Upon approaching the quantum critical point at H =Hsat, the radius of the magnetic vortex diverges as the magnetic correlation length: ξ ∝1 /√{H -Hsat }. These results are derived both for the lattice and in the continuum limit.

  12. Modeling Electronegative Impurity Concentrations in Liquid Argon Detectors

    NASA Astrophysics Data System (ADS)

    Tang, Wei; Li, Yichen; Thorn, Craig; Qian, Xin

    2017-01-01

    Achieving long electron lifetime is crucial to reach the high performance of large Liquid Argon Time Projection Chamber (LArTPC) envisioned for next generation neutrino experiments. We have built up a quantitative model to describe the impurity distribution and transportation in a cryostat. Henrys constants of Oxygen and water, which describe the partition of impurities between gas argon and liquid argon, have been deduced through this model with the measurements in BNL 20-L LAr test stand. These results indicate the importance of the gas purification system and prospects on large LArTPC detectors will be discussed.

  13. Formation and Stability of Impurity "snakes" in Tokamak Plasmas

    SciTech Connect

    L. Delgado-Aparicio, et. al.

    2013-01-28

    New observations of the formation and dynamics of long-lived impurity-induced helical "snake" modes in tokamak plasmas have recently been carried-out on Alcator C-Mod. The snakes form as an asymmetry in the impurity ion density that undergoes a seamless transition from a small helically displaced density to a large crescent-shaped helical structure inside q < 1, with a regularly sawtoothing core. The observations show that the conditions for the formation and persistence of a snake cannot be explained by plasma pressure alone. Instead, many features arise naturally from nonlinear interactions in a 3D MHD model that separately evolves the plasma density and temperature

  14. Neutrality point of graphene with coplanar charged impurities.

    PubMed

    Fogler, Michael M

    2009-12-04

    The ground state and the transport properties of graphene subject to the potential of in-plane charged impurities are studied. The screening of the impurity potential is shown to be nonlinear, producing a fractal structure of electron and hole puddles. Statistical properties of this density distribution as well as the charge compressibility of the system are calculated in the leading-log approximation. The conductivity depends logarithmically on alpha, the dimensionless strength of the Coulomb interaction. The theory is asymptotically exact when alpha is small, which is the case for graphene on a substrate with a high dielectric constant.

  15. Effects of Impurities and Processing on Silicon Solar Cells, Phase 3

    NASA Technical Reports Server (NTRS)

    Hopkins, R. H.; Davis, J. R.; Blais, P. D.; Rohatgi, A.; Campbell, R. B.; Rai-Choudhury, P.; Stapleton, R. E.; Mollenkopf, H. C.; Mccormick, J. R.

    1979-01-01

    Results of the 14th quarterly report are presented for a program designed to assess the effects of impurities, thermochemical processes and any impurity process interactions on the performance of terrestrial silicon solar cells. The Phase 3 effort encompasses: (1) potential interactions between impurities and thermochemical processing of silicon; (2) impurity-cell performance relationships in n-base silicon; (3) effect of contaminants introduced during silicon production, refining or crystal growth on cell performance; (4) effects of nonuniform impurity distributions in large area silicon wafers; and (5) a preliminary study of the permanence of impurity effects in silicon solar cells.

  16. Dynamics of heavy impurities in non-linear MHD simulations of sawtoothing tokamak plasmas

    NASA Astrophysics Data System (ADS)

    Ahn, Jae-H.; Garbet, X.; Lütjens, H.; Guirlet, R.

    2016-12-01

    The effect of sawteeth on impurity dynamics is studied with the XTOR-2F code. Non-linear full 3D MHD simulations including appropriate fluid equations for impurities in the high collisional regime show that the presence of regular sawtooth crashes affects the impurity behaviour. A spatial non-uniformity of 5 % in post-crash impurity density profiles persists due to 2D structures of impurity density which appear during sawtooth crashes. They are shown to be mainly driven by the \\mathbf{E}× \\mathbf{B} velocity, and are responsible for the sudden impurity transport in the core plasmas.

  17. Theoretical studies of impurity and hole subband states in nitride semiconductors

    NASA Astrophysics Data System (ADS)

    Mireles Higuera, Francisco

    We present a comprehensive theoretical study of the shallow donor and acceptor states and their binding energies in large bandgap bulk nitride semiconductors. An envelope function scheme within the effective mass theory in a multi-band formalism was used to obtain the impurity levels in a variational fashion. Suitable atomic pseudopotentials were employed to resemble the impurity potential of the different dopants. Numerical calculations are reported for the binding energies of several substitutional acceptor and donor impurities from groups IIA, IIB and IVA of the periodic table in gallium and aluminum nitride. It is found that both acceptors and donors have smaller binding energy in the cubic zincblende phase of these materials than in the normally grown hexagonal wurtzite phase. This finding would predict the more favorable p-type doping characteristics of the zincblende nitrides. A study of the first excited states for donor impurities was also performed under the influence of external magnetic fields. Among other interesting features, it is found that residual carbon in GaN may play an important role as a shallow donor, typically attributed to other species, and suggesting that the amphoteric behavior of carbon impurities has been overlooked in the interpretation of the experimental optical spectra. We have studied as well the problem of the eigenstates in nitride based quantum wells and superlattices. Through the use of the exact envelope function theory together with symmetry arguments, we have provided a systematic derivation for a valence band effective mass Hamiltonian suitable for wurtzite heterostructures. Correct analytical expressions for the boundary conditions at the heterointerfaces of these materials are also derived. By using numerical examples, we show that the conventional Hamiltonian and boundary conditions lead to overestimates of the subband dispersion energies of nitride quantum wells for in-plane wave numbers not at the zone center. This

  18. R-matrix calculations in support of impurity influx measurements

    NASA Astrophysics Data System (ADS)

    Ballance, C. P.

    2016-09-01

    The RMPS (R-Matrix with Pseudo-States) method has been used with great success in the calculation of the collisional data for light fusion-related elements such as helium, beryllium or neon, both in terms of electron-impact excitation and also ground, metastable, and excited state ionisation. However, more complex atomic species such as Molybdenum and Tungsten have been choosen as plasma-facing elements in several tokamak experiments such as NSTX-U. During plasma operation there is an inevitable degree of wall erosion and therefore the determination of this impurity-influx rate from vessel walls needs to be characterized. In terms of atomic physics, this erosion rate can be determined from an SXB ratio and spectroscopic measurements of emitted line radiation. The SXB ratio is generated using a combination of electron-impact ionisation, excitation and the underlying atomic structure transition probabilities. The groundstate of Mo I and Mo II being half-open d shell systems quickly give rise to 100s of levels, and therefore the resulting spectral lines from the neutral and singly ionised species provides a convoluted picture. Therefore, subject to the constraints of spectrometer used, theoretically we are able to survey our structure and collisional calculations and pro-actively suggest particular diagnostic lines. There have been previous R-matrix calculations in LS coupling used for modelling of Mo, with mixed results, however it is hoped that this project shall resolve those differences. A method shall be presented that we use to determine which lines are most beneficial for analysis. I will present current electron-impact excitation and ionisation results for both neutral and singly ionised molybdenum.

  19. In situ mobile subaquatic archaeometry evaluated by non-destructive Raman microscopy of gemstones lying under impure waters.

    PubMed

    Smith, David C

    2003-08-01

    A series of laboratory simulations have been made in order to evaluate the credibility of carrying out physico-chemical analysis of cultural heritage items by Raman spectral fingerprinting using a mobile Raman microscope in situ under natural impure water in subaquatic or submarine conditions. Three different kinds of gemstone (zircon, microcline and sodalite) were successively placed under different kinds of impure water into which a low power microscope objective was immersed to eliminate the normal aerial pathway between the objective and the object to be analysed. According to the nature of the impurities (inorganic or organic, dissolved or suspended, transparent or coloured) the results obtained variously gave Raman band intensities stronger than, similar to or weaker than those of spectra obtained without water, i.e. in air. The significant point is that after only minor spectral treatment the less good spectra nevertheless yielded exploitable data with most, if not all, of the key Raman bands being detected. Thus the problems of fluorescence or peak absences under water are of a similar degree of magnitude to the other problems inherent with the Raman spectroscopic technique in aerial conditions, e.g. relative peak intensities varying with crystal orientation; peak positions varying with chemical composition. These results indicate that even if at certain sites of submerged cities or sunken ships, the combination of animal, vegetal, mineral and microbial impurities join together to inhibit or hinder the success of subaquatic or submarine archaeometry, there will certainly be other sites where such activity is indeed credible.

  20. In situ mobile subaquatic archaeometry evaluated by non-destructive Raman microscopy of gemstones lying under impure waters

    NASA Astrophysics Data System (ADS)

    Smith, David C.

    2003-08-01

    A series of laboratory simulations have been made in order to evaluate the credibility of carrying out physico-chemical analysis of cultural heritage items by Raman spectral fingerprinting using a mobile Raman microscope in situ under natural impure water in subaquatic or submarine conditions. Three different kinds of gemstone (zircon, microcline and sodalite) were successively placed under different kinds of impure water into which a low power microscope objective was immersed to eliminate the normal aerial pathway between the objective and the object to be analysed. According to the nature of the impurities (inorganic or organic, dissolved or suspended, transparent or coloured) the results obtained variously gave Raman band intensities stronger than, similar to or weaker than those of spectra obtained without water, i.e. in air. The significant point is that after only minor spectral treatment the less good spectra nevertheless yielded exploitable data with most, if not all, of the key Raman bands being detected. Thus the problems of fluorescence or peak absences under water are of a similar degree of magnitude to the other problems inherent with the Raman spectroscopic technique in aerial conditions, e.g. relative peak intensities varying with crystal orientation; peak positions varying with chemical composition. These results indicate that even if at certain sites of submerged cities or sunken ships, the combination of animal, vegetal, mineral and microbial impurities join together to inhibit or hinder the success of subaquatic or submarine archaeometry, there will certainly be other sites where such activity is indeed credible.

  1. Model development for deactivation of bisphenol-A adduct particles during crystallization under the influence of impurity

    NASA Astrophysics Data System (ADS)

    Alamdari, Abdolmohammad; Nourafkan, Ehsan; Jahanmiri, Abdolhosein

    2010-07-01

    A deactivation mechanism was developed to present the influence of 4-tert-butylphenol as a sample impurity on the bisphenol-A (BPA) adduct particles during the crystallization process. 4-tert-butylphenol is an organic sample impurity generally present in the reaction mixture of the industrial production of BPA. Kinetic parameters of growth, nucleation, agglomeration, and deactivation were estimated using the technique of model fitting to experimental data. The population and mass balances were used to model the adductive crystallization of BPA. Experiments were carried out in several plastic bottles as crystallizers in a rotating bath. Liquid and solid phase information during the course of experiments was provided using the methods of gas chromatography, sieve analysis, and scanning electron microscopy. The impurity influence on the solution thermodynamics was investigated by measuring the width of metastable zone in the presence and in the absence of 4-tert-butylphenol. Consistency of the model predictions of size distributions with the experimental data beyond the range where the parameters were optimized revealed the validity of the model and the accuracy of the parameter values. The results showed that traces of impurity would reduce the BPA solubility, widen the metastability zone, increase agglomeration, and deactivate the growth and nucleation sites on the crystals.

  2. Impurity profiling of trandolapril under stress testing: Structure elucidation of by-products and development of degradation pathway.

    PubMed

    Dendeni, M; Cimetiere, N; Amrane, A; Hamida, N Ben

    2012-11-15

    Various regulatory authorities like International Conference on Harmonization (ICH), US Food and Drug Administration, Canadian Drug and Health Agency are emphasizing on the purity requirements and the identification of impurities in active pharmaceutical drugs. Qualification of the impurities is the process of acquiring and evaluating data that establishes biological safety of an individual impurity; thus, revealing the need and scope of impurity profiling of drugs in pharmaceutical research. As no stability-indicating method is available for identification of degradation products of trandolapril, a new angiotensin converting enzyme inhibitor (ACEI), under stress testing, the development of an accurate method is needed for quantification and qualification of degradation products. Ultra high performance liquid chromatography (UPLC) coupled to electrospray tandem mass spectrometry was used for the rapid and simultaneous analysis of trandolapril and its degradation products. Chromatographic separation was achieved in less than 4 min, with improved peak resolution and sensitivity. Thanks to this method, the kinetics of trandolapril degradation under various operating conditions and the characterization of the structure of the by-products formed during stress testing have been determined. Thereafter, a mechanism of trandolapril degradation in acid and neutral conditions, including all the identified products, was then proposed.

  3. When minds matter for moral judgment: intent information is neurally encoded for harmful but not impure acts

    PubMed Central

    Dungan, James; Koster-Hale, Jorie; Brown, Amelia; Saxe, Rebecca; Young, Liane

    2016-01-01

    Recent behavioral evidence indicates a key role for intent in moral judgments of harmful acts (e.g. assault) but not impure acts (e.g. incest). We tested whether the neural responses in regions for mental state reasoning, including the right temporoparietal junction (RTPJ), are greater when people evaluate harmful vs impure violations. In addition, using multivoxel pattern analysis, we investigated whether the voxel-wise pattern in these regions distinguishes intentional from accidental actions, for either kind of violation. The RTPJ was preferentially recruited in response to harmful vs impure acts. Moreover, although its response was equally high for intentional and accidental acts, the voxel-wise pattern in the RTPJ distinguished intentional from accidental acts in the harm domain but not the purity domain. Finally, we found that the degree to which the RTPJ discriminated between intentional and accidental acts predicted the impact of intent information on moral judgments but again only in the harm domain. These findings reveal intent to be a uniquely critical factor for moral evaluations of harmful vs impure acts and shed light on the neural computations for mental state reasoning. PMID:26628642

  4. Separation of analyte and matrix for the direct analysis of high-purity molybdenum-based materials by electrothermal atomic spectrometry methods—I. Radiotracer investigation of thermal extraction of impurities in a graphite cup

    NASA Astrophysics Data System (ADS)

    Dočekal, Bohumil; Krivan, Viliam; Franek, Martin

    1994-06-01

    By means of radiotracers, thermal vaporization of a number of detrimental trace elements (alkali, alkali earth and heavy metals) from metallic molybdenum powder has been studied. For this purpose, molybdenum samples labelled with appropriate radiotracers of the trace elements were prepared from a slurry of molybdenum oxide, ammonium molybdate solution and a radiotracer solution. Vaporization yields were measured after electrothermal treatment of the samples at temperatures between 1900 and 3000°C. Alkali and alkali earth elements, copper and zinc were vaporized with yields higher than 98%. Possible application of the electrothermal vaporization technique to the direct analysis of high-purity molybdenumbased materials by atomic absorption and atomic emission spectrometry is discussed.

  5. Topological spin pumps coupled by a magnetic impurity

    NASA Astrophysics Data System (ADS)

    Ren, Y. J.; Sheng, L.; Xing, D. Y.

    2016-05-01

    The recently proposed topological spin pump is a full spin analogue to the famous Thouless charge pump, in the sense that it is protected by bulk band topology alone and independent of any symmetries. The previous works were however confined to a single one-dimensional (1D) pump with spin Chern number C{spin}=C\\uparrow-C \\downarrow= 2 or a series of such pumps in parallel without any interaction. In this paper, we investigate the influence of coupling between two 1D spin Chern pumps by a magnetic impurity potential, which also breaks the time-reversal symmetry, on the spin pumping effect. By using the Green's function and Born approximation, it is shown that the leading correction to the spin pumped per cycle due to the impurity scattering is of the second order in the impurity potential. For not very strong impurity potential, the spin pumped per cycle in units of \\hbar/2 stays near the quantized value determined by the total spin Chern number of the system C{spin} , for all the cases in which both, either or none of the two pumps are topologically nontrivial, corresponding to C{spin}=4 , 2 or 0, respectively. This result demonstrates that the topological spin pumps can be generally classified by different integer values of the total spin Chern number C{spin} .

  6. Effect of sample preparation on charged impurities in graphene substrates

    NASA Astrophysics Data System (ADS)

    Burson, K. M.; Dean, C. R.; Watanabe, K.; Taniguchi, T.; Hone, J.; Kim, P.; Cullen, W. G.; Fuhrer, M. S.

    2013-03-01

    The mobility of graphene as fabricated on SiO2 has been found to vary widely depending on sample preparation conditions. Additionally, graphene mobility on SiO2 appears to be limited to ~20,000 cm2/Vs, likely due to charged impurities in the substrate. Here we present a study of the effect of fabrication procedures on substrate charged impurity density (nimp) utilizing ultrahigh-vacuum Kelvin probe force microscopy. We conclude that even minimal SEM exposure, as from e-beam lithography, induces an increased impurity density, while heating reduces the number of charges for sample substrates which already exhibit a higher impurity density. We measure both SiO2 and h-BN and find that all nimp values observed for SiO2 are higher than those observed for h-BN; this is consistent with the observed improvement in mobility for graphene devices fabricated on h-BN over those fabricated on SiO2 substrates. This work was supported by the US ONR MURI program, and the University of Maryland NSF-MRSEC under Grant No. DMR 05-20471.

  7. 40 CFR 161.167 - Discussion of formation of impurities.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... of impurities: (1) From other possible chemical reactions; (2) Involving other ingredients; or (3) At... established chemical theory and on what the applicant knows about the starting materials, technical grade of... reactions and side reactions which may occur in the production of the product, and the relative amounts...

  8. Nonmetallic impurities improve mechanical properties of vapor-deposited tungsten

    NASA Technical Reports Server (NTRS)

    Chin, J.; Weinberg, A. F.; Lindgren, J. R.

    1972-01-01

    Mechanical properties of vapor deposited tungsten are improved by selective incorporation of various nonmetallic impurities. Addition of trace quantities of carbon, nitrogen, or oxygen can significantly increase both low and high temperature yield strength without greatly affecting ductile-to-brittle transition temperature.

  9. Trace Impurities and Radiation Defects in Optical Materials

    NASA Astrophysics Data System (ADS)

    Malovichko, Galina; Grachev, Valentin; Meyer, Martin; Munro, Mark; Pankratov, Vladimir

    2007-05-01

    Trace impurities and radiation defects lead to inevitable performance degradation of devices based on optical materials. The results of the Electron Paramagnetic Resonance (EPR) study of defects in as grown and irradiated single crystals are reported. Among investigated optical materials are LiNbO3, Li2B4O7, KTiOPO4 etc. Crystals from different vendors or grown by different ways have different concentrations of non-controlled impurities and, as a result, different physical properties, including radiation resistance. Intrinsic defects (vacancies and antisites), usually present in congruent non-stoichiometric crystals like lithium niobate and tantalate. Many EPR lines of non-controlled impurities were found in KTiOPO4 crystals. We found that dominating types of defects formed under visible, UV and gamma photon irradiation are centers created by defects trapped electron or hole. The neutron and high energy electron irradiation creates stable Frenkel pairs - interstitial ions and vacancies. Computer simulation of observed spectra allowed us to determine spectroscopic characteristics and models for more than dozen trace impurities and radiation defects. Obtained data about atomic defects can be used for a selection of materials suitable for various applications. To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2007.NWS07.B1.2

  10. Quasilinear Carbon Transport In An Impurity Hole Plasma In LHD

    SciTech Connect

    Mikkelsen, David R.; Tanaka, K.; Nunami, M.; Watanabe, T-H.; Sugama, H.; Yoshinuma, M.; Suzuki, Y.; Goto, M.; Morita, S.; Wieland, B.; Yamada, I.; Yashura, R.; Akiyama, T.; Pablant, Novimir A.

    2014-04-01

    Comprehensive electrostatic gyrokinetic linear stability calculations for ion-scale microinstabilities in an LHD plasma with an ion-ITB and carbon "impurity hole" are used to make quasilinear estimates of particle flux to explore whether microturbulence can explain the observed outward carbon fluxes that flow "up" the impurity density gradient. The ion temperature is not stationary in the ion-ITB phase of the simulated discharge, during which the core carbon density decreases continuously. To fully sample these varying conditions the calculations are carried out at three radial locations and four times. The plasma parameter inputs are based on experimentally measured profiles of electron and ion temperature, as well as electron and carbon density. The spectroscopic line-average ratio of hydrogen and helium densities is used to set the density of these species. Three ion species (H,He,C) and the electrons are treated kinetically, including collisions. Electron instability drive does enhance the growth rate significantly, but the most unstable modes have characteristics of ion temperature gradient (ITG) modes in all cases. As the carbon density gradient is scanned between the measured value and zero, the quasilinear carbon flux is invariably inward when the carbon density profile is hollow, so turbulent transport due to the instabilities considered here does not explain the observed outward flux of impurities in impurity hole plasmas. The stiffness of the quasilinear ion heat flux is found to be 1.7-2.3, which is lower than several estimates in tokamaks.

  11. Impurities in Drug Products and Active Pharmaceutical Ingredients.

    PubMed

    Kątny, M; Frankowski, M

    2016-09-29

    Analytical methods should be selective and fast. In modern times, scientists strive to meet the criteria of green chemistry, so they choose analytical procedures that are as short as possible and use the least toxic solvents. It is quite obvious that the products intended for human consumption should be characterized as completely as possible. The safety of a drug is dependent mainly on the impurities that it contains. High pressure liquid chromatography and ultra-high pressure liquid chromatography have been proposed as the main techniques for forced degradation and impurity profiling. The aim of this article was to characterize the relevant classification of drug impurities and to review the methods of impurities determination for atorvastatin (ATV) and duloxetine (DLX) (both in active pharmaceutical ingredients and in different dosage forms). These drugs have an impact on two systems of the human body: cardiac and nervous. Simple characteristics of ATV and DLX, their properties and specificity of action on the human body, are also included in this review. The analyzed pharmaceuticals-ATV (brand name Lipiron) and DLX (brand name Cymbalta)-were selected for this study based on annual rankings prepared by Information Medical Statistics.

  12. Conductivity of a Weyl semimetal with donor and acceptor impurities

    NASA Astrophysics Data System (ADS)

    Rodionov, Ya. I.; Syzranov, S. V.

    2015-05-01

    We study transport in a Weyl semimetal with donor and acceptor impurities. At sufficiently high temperatures transport is dominated by electron-electron interactions, while the low-temperature resistivity comes from the scattering of quasiparticles on screened impurities. Using the diagrammatic technique, we calculate the conductivity σ (T ,ω ,nA,nD) in the impurities-dominated regime as a function of temperature T , frequency ω , and the concentrations nA and nD of acceptors and donors and discuss the crossover behavior between the regimes of low and high temperatures and impurity concentrations. In a sufficiently compensated material [| nA-nD|≪ (nA+nD) ] with a small effective fine structure constant α ,σ (ω ,T ) ∝T2/(T-2-i ω .const) in a wide interval of temperatures. For very low temperatures, or in the case of an uncompensated material, the transport is effectively metallic. We discuss experimental conditions necessary for realizing each regime.

  13. Deformation potential constants of gallium impurity in germanium

    NASA Astrophysics Data System (ADS)

    Martin, A. D.; Fisher, P.; Freeth, C. A.; Salib, E. H.; Simmonds, P. E.

    1983-12-01

    The deformation potential constants and intensity parameters of some of the states and optically induced transitions of gallium impurity in germanium have been determined both experimentally and theoretically. The latter are based on the effective mass wavefunctions of Kohn and Schechter and of Mendelson and James. Reasonably good agreement is found between the experimental and theoretical results.

  14. Neoclassical transport in density pedestals with non-trace impurities

    NASA Astrophysics Data System (ADS)

    Buller, Stefan; Pusztai, Istvan; Landreman, Matt

    2016-10-01

    We study neoclassical transport in steady-state density pedestals with non-trace impurities using the Eulerian δf code Perfect, with an emphasis on radially global effects and the effects of impurities. To properly describe transport in a tokamak pedestal, radial coupling must be included, which strongly affects the transport. We find that radial coupling reduces the pedestal heat flux compared to local predictions. Furthermore, the influence of the pedestal persists several orbit widths into the core. The electron flux is significant in the pedestal, and global neoclassical transport is not intrinsically ambipolar. Thus, the impurity flux is not simply opposing the ion flux. The resulting radial current gives a torque that is balanced by a non-negligible radial transport of toroidal momentum. The effective Prandtl number is comparable to typical turbulent values in the core (0.1 - 0.3), and is sensitive to the impurity content. Global effects have a strong contribution to the poloidal flows of low- Z ions, which give rise to larger in-out flow asymmetries. Supported by the INCA Grant of Vetenskapsrådet (Dnr. 330-2014-6313). ML is supported by the USDoE Grants DEFG0293ER54197 and DEFC0208ER54964. The simulations used computational resources of Hebbe at C3SE (C3SE2016-1-10 & SNIC2016-1-161).

  15. 40 CFR 159.179 - Metabolites, degradates, contaminants, and impurities.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Metabolites, degradates, contaminants.../Benefit Information § 159.179 Metabolites, degradates, contaminants, and impurities. (a) Metabolites and degradates. Information which shows the existence of any metabolite or degradate of a pesticide product...

  16. 40 CFR 159.179 - Metabolites, degradates, contaminants, and impurities.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 25 2012-07-01 2012-07-01 false Metabolites, degradates, contaminants.../Benefit Information § 159.179 Metabolites, degradates, contaminants, and impurities. (a) Metabolites and degradates. Information which shows the existence of any metabolite or degradate of a pesticide product...

  17. 40 CFR 159.179 - Metabolites, degradates, contaminants, and impurities.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 25 2013-07-01 2013-07-01 false Metabolites, degradates, contaminants.../Benefit Information § 159.179 Metabolites, degradates, contaminants, and impurities. (a) Metabolites and degradates. Information which shows the existence of any metabolite or degradate of a pesticide product...

  18. 40 CFR 159.179 - Metabolites, degradates, contaminants, and impurities.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 24 2014-07-01 2014-07-01 false Metabolites, degradates, contaminants.../Benefit Information § 159.179 Metabolites, degradates, contaminants, and impurities. (a) Metabolites and degradates. Information which shows the existence of any metabolite or degradate of a pesticide product...

  19. 40 CFR 159.179 - Metabolites, degradates, contaminants, and impurities.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Metabolites, degradates, contaminants.../Benefit Information § 159.179 Metabolites, degradates, contaminants, and impurities. (a) Metabolites and degradates. Information which shows the existence of any metabolite or degradate of a pesticide product...

  20. Spin susceptibility of Anderson impurities in arbitrary conduction bands

    NASA Astrophysics Data System (ADS)

    Fang, Tie-Feng; Tong, Ning-Hua; Cao, Zhan; Sun, Qing-Feng; Luo, Hong-Gang

    2015-10-01

    Spin susceptibility of Anderson impurities is a key quantity in understanding the physics of Kondo screening. Traditional numerical renormalization group (NRG) calculation of the impurity contribution χimp to susceptibility, defined originally by Wilson in a flat wide band, has been generalized before to structured conduction bands. The results brought about non-Fermi-liquid and diamagnetic Kondo behaviors in χimp, even when the bands are not gapped at the Fermi energy. Here, we use the full density-matrix (FDM) NRG to present high-quality data for the local susceptibility χloc and to compare them with χimp obtained by the traditional NRG. Our results indicate that those exotic behaviors observed in χimp are unphysical. Instead, the low-energy excitations of the impurity in arbitrary bands only without gap at the Fermi energy are still a Fermi liquid and paramagnetic. We also demonstrate that unlike the traditional NRG yielding χloc less accurate than χimp, the FDM method allows a high-precision dynamical calculation of χloc at much reduced computational cost, with an accuracy at least one order higher than χimp. Moreover, artifacts in the FDM algorithm to χimp and origins of the spurious non-Fermi-liquid and diamagnetic features are clarified. Our work provides an efficient high-precision algorithm to calculate the spin susceptibility of impurity for arbitrary structured bands, while negating the applicability of Wilson's definition to such cases.

  1. Relationships among impurity components, sucrose, and sugarbeet processing quality

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Sodium, potassium, amino-nitrogen, and invert sugar are naturally-occurring constituents of the sugarbeet (Beta vulgaris L.) root, referred to as impurities, which impede sucrose extraction during routine factory operations. Three germplasm lines selected for low sodium, potassium, or amino-nitrogen...

  2. Optical and electronic properties of quantum dots with magnetic impurities

    NASA Astrophysics Data System (ADS)

    Govorov, Alexander O.

    2008-10-01

    The article discusses some of the recent results on semiconductor quantum dots with magnetic impurities. A single Mn impurity incorporated in a quantum dot strongly changes the optical response of a quantum-dot system. A character of Mn-carrier interaction is very different for II-VI and III-V quantum dots (QDs). In the II-VI QDs, a Mn impurity influences mostly the spin-structure of an exciton. In the III-V dots, a spatial localization of hole by a Mn impurity can be very important, and ultimately yields a totally different spin structure. A Mn-doped QD with a variable number of mobile carriers represents an artificial magnetic atom. Due to the Mn-carrier interaction, the order of filling of electronic shells in the magnetic QDs can be very different to the case of the real atoms. The "periodic" table of the artificial magnetic atoms can be realized in voltage-tunable transistor structures. For the electron numbers corresponding to the regime of Hund's rule, the magnetic Mn-carrier coupling is especially strong and the magnetic-polaron states are very robust. Magnetic QD molecules are also very different to the real molecules. QD molecules can demonstrate spontaneous breaking of symmetry and phase transitions. Single QDs and QD molecules can be viewed as voltage-tunable nanoscale memory cells where information is stored in the form of robust magnetic-polaron states. To cite this article: A.O. Govorov, C. R. Physique 9 (2008).

  3. Turbulent impurity transport modeling for Alcator C-Mod

    NASA Astrophysics Data System (ADS)

    Fu, X. R.; Horton, W.; Bespamyatnov, I. O.; Rowan, W. L.; Benkadda, S.; Fiore, C. L.; Futatani, S.; Liao, K. T.; Liao

    2013-10-01

    Turbulent particle transport is investigated with a quasilinear theory that is motivated by the boron impurity transport experiments in the Alcator C-Mod. Eigenvalue problems for sets of reduced fluid equations for multi-component plasmas are solved for the self-consistent fluctuating field vectors composed of the electric potential φ, the main ion density δni , the impurity density δnz and the ion temperature fluctuation δTi . For Alcator C-Mod parameters, we investigate two drift wave models: (1) the density-gradient-driven impurity drift wave and (2) the ion-temperature-gradient-driven ion temperature gradient (ITG) mode. Analytic and numerical results for particle transport coefficients are derived and compared with the transport data and the neoclassical theory. We explore the ability of the model to explain impurity density profiles in three confinement regimes: H-mode, I-mode and internal transport barrier (ITB) regime in C-Mod. Related experiments reported on the Large Helical Device are briefly discussed.

  4. Controlled samples for silicon defect and impurity studies

    SciTech Connect

    Ciszek, T.F.

    1995-08-01

    Because of the diverse defects and impurities that are present in any given sample of silicon material, it can be extremely difficult to conduct a controlled experiment to study the influence of any particular defect or impurity on photovoltaic properties such as minority charge carrier lifetime {tau} or solar cell efficiency q. For example, the influence of iron may be different if boron is present, or the influence of silicon self interstitial clusters may be different if oxygen is present. It thus becomes important to conduct such studies on controlled samples where the influence of secondary effects is minimized. At NREL, over the past several years, we have focused on using the high-purity float-zone (FZ) growth method to obtain controlled samples. Because the silicon melt is not in contact with a container, and no heated components are in the growth region, very high purities and low defect levels can be achieved in baseline material. The baseline can be controllably perturbed by introduction of specific defects or impurities. The chart shown below lists some of the types of defect and impurity. combinations that can be studied in this way. The boxes marked with an {open_quotes}x{close_quotes} represent combinations we have studied to some extent.

  5. 40 CFR 158.340 - Discussion of formation of impurities.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Discussion of formation of impurities. 158.340 Section 158.340 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.340 Discussion of formation...

  6. 40 CFR 161.167 - Discussion of formation of impurities.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 25 2013-07-01 2013-07-01 false Discussion of formation of impurities. 161.167 Section 161.167 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry...

  7. 40 CFR 161.167 - Discussion of formation of impurities.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Discussion of formation of impurities. 161.167 Section 161.167 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry...

  8. 40 CFR 158.340 - Discussion of formation of impurities.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 25 2013-07-01 2013-07-01 false Discussion of formation of impurities. 158.340 Section 158.340 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.340 Discussion of formation...

  9. 40 CFR 158.340 - Discussion of formation of impurities.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 25 2012-07-01 2012-07-01 false Discussion of formation of impurities. 158.340 Section 158.340 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.340 Discussion of formation...

  10. Morphological stability during solidification of silicon incorporating metallic impurities

    NASA Astrophysics Data System (ADS)

    Warrender, Jeffrey M.; Mathews, Jay; Recht, Daniel; Smith, Matthew; Gradečak, Silvija; Aziz, Michael J.

    2014-04-01

    We study the stability of a planar solidification front during pulsed laser melting-induced rapid solidification of silicon containing high concentrations of ion-implanted metallic impurities. We calculate the critical impurity concentration for destabilizing plane-front solidification, and introduce the "amplification coefficient," which is an empirical parameter describing the degree of amplification that must occur between the time the planar liquid-solid interface first becomes unstable, and the time of formation of morphological features of interface breakdown that is later observed in the microstructure. By connecting our calculations to experimental observations from the literature, we determine this parameter for Au, Co, Cr, Fe, Ga, In, and Zn in (100) Si and Ti in (111) Si, and find that it increases with impurity diffusive speed vD approximately as vD0.56. We present an approximate but simple method of estimating the maximum impurity concentration that may be incorporated in a surface layer of a given thickness without the appearance of cellular breakdown.

  11. Recovery of surfaces from impurity poisoning during crystal growth

    NASA Astrophysics Data System (ADS)

    Land, Terry A.; Martin, Tracie L.; Potapenko, Sergey; Palmore, G. Tayhas; de Yoreo, James J.

    1999-06-01

    Growth and dissolution of crystal surfaces are central to processes as diverse as pharmaceutical manufacturing,, corrosion, single-crystal production and mineralization in geochemical and biological environments,. Impurities are either unavoidable features of these processes or intentionally introduced to modify the products. Those that act as inhibiting agents induce a so-called `dead zone', a regime of low supersaturation where growth ceases. Models based on the classic theory of Cabrera and Vermilyea explain behaviour near the dead zone in terms of the pinning of elementary step motion by impurities,. Despite general acceptance of this theory, a number of commonly investigated systems exhibit behaviour not predicted by such models. Moreover, no clear microscopic picture of impurity-step interactions currently exists. Here we use atomic force microscopy to investigate the potassium dihydrogen phosphate {100} surface as it emerges from the dead zone. We show that traditional models are not able to account for the behaviour of this system because they consider only elementary steps, whereas it is the propagation of macrosteps (bunches of monolayer steps) that leads to resurrection of growthout of the dead zone. We present a simple physical model of this process that includes macrosteps and relates characteristics of growth near the dead zone to the timescale for impurity adsorption.

  12. ICRH for core impurity mitigation in JET-ILW

    NASA Astrophysics Data System (ADS)

    Lerche, E.; Goniche, M.; Jacquet, P.; Van Eester, D.; Bobkov, V.; Colas, L.; Monakhov, I.; Rimini, F.; Czarnecka, A.; Crombé, K.; Dumont, R.; Hobirk, J.; Kazakov, Y.; Mayoral, M.-L.; Meneses, L.; Mlynar, J.; Noble, C.; Nunes, I.; Ongena, J.; Petrzilka, V.; Reich, M.; Santala, M.; Shaw, A.; Tsalas, M.

    2015-12-01

    Ion cyclotron resonance frequency (ICRF) heating has been an essential component in the development of high power H-mode scenarios in JET-ILW. The steps that were taken for the successful use of ICRF heating in terms of enhancing the power capabilities and optimizing the heating performance in view of core impurity mitigation in these experiments will be reviewed.

  13. Impurity charge-exchange processes processes in Tokamak plasmas

    NASA Astrophysics Data System (ADS)

    Puiatti, M. E.; Breton, C.; Michelis, C.; Mattioll, M.

    1981-02-01

    Charge exchange reactions between multiply charged impurity ions and neutral hydrogen isotopes were considered. Ionization equilibrium and radiative losses were evaluated for oxygen and iron in the presence of either thermal or beam neutrals. The influence of thermal neutrals on recently reported results from chemically heated TFR discharges is also discussed.

  14. Substitutional 4d and 5d impurities in graphene.

    PubMed

    Alonso-Lanza, Tomás; Ayuela, Andrés; Aguilera-Granja, Faustino

    2016-08-21

    We describe the structural and electronic properties of graphene doped with substitutional impurities of 4d and 5d transition metals. The adsorption energies and distances for 4d and 5d metals in graphene show similar trends for the later groups in the periodic table, which are also well-known characteristics of 3d elements. However, along earlier groups the 4d impurities in graphene show very similar adsorption energies, distances and magnetic moments to the 5d ones, which can be related to the influence of the 4d and 5d lanthanide contraction. Surprisingly, within the manganese group, the total magnetic moment of 3 μB for manganese is reduced to 1 μB for technetium and rhenium. We find that compared with 3d elements, the larger size of the 4d and 5d elements causes a high degree of hybridization with the neighbouring carbon atoms, reducing spin splitting in the d levels. It seems that the magnetic adjustment of graphene could be significantly different if 4d or 5d impurities are used instead of 3d impurities.

  15. PROCESS FOR RECOVERY OF URANIUM VALUES FROM IMPURE SOLUTIONS THEREOF

    DOEpatents

    Kilner, S.B.

    1959-11-01

    A process is presented for the recovery of uraninm values from impure solutions which are obtained, for example, by washing residual uranium salt or uranium metal deposits from stainless steel surfaces using an aqueous or certain acidic aqueous solutions. The solutions include uranyl and oxidized iron, chromium, nickel, and copper ions and may contain manganese, zinc, and silver ions. In accordance with one procedure. the uranyl ions are reduced to the uranous state, and the impurity ions are complexed with cyanide under acidic conditions. The solution is then treated with ammonium hydroxide or alkali metal hydroxide to precipitate uranous hydroxide away from the complexed impurity ions in the solution. Alternatively, an excess of alkali metal cyanide is added to the reduced solution until the solution becomes sufficiently alkaline for the uranons hydroxide to precipitate. An essential feature in operating the process is in maintaining the pH of the solution sufficiently acid during the complexing operation to prevent the precipitation of the impurity metal hydroxides.

  16. Impurities in Snow: Effects on Spectral Albedo of Prairie Snowpacks

    NASA Astrophysics Data System (ADS)

    Morris, J. N.; Klein, A. G.

    2007-12-01

    While extensive research on soot in snow has been done in the Polar Regions, there remains a lack of observations addressing the effect of soot on snow albedo in North American prairie snowpacks which causes uncertainty to the overall global effect that soot in snow has on climate. Measurements of snow impurities in freshly fallen prairie snowpacks in northwestern Iowa and central Texas collected from February 28 - March 5, 2007 and April 6, 2007, respectively. Two significant snowfall events occurred in northwestern Iowa during the study; the second snowfall event produced the most severe blizzard conditions in northwestern Iowa in the last thirty years. An unusual snowfall event in central Texas offered a unique sampling opportunity Several types of sites were sampled during the field campaign; this includes: frozen lakes with minimal human impact, agricultural fields impacted by agricultural dust, and human impacted sample sites. At twelve sites in northwestern Iowa samples were collected on multiple days and for both snow events to examine changes in snow impurities over time. At all site locations snow samples, temperature, density, and grain size were recorded. Snow reflectance and snow radiance was collected at a subset of the sites with an ASD VNIR Spectroradiometer (350 - 1500 nm). Snow impurities of light-absorbing particulate matter were measured by filtering the meltwater through a nuclepore 0.4 micrometer filter. Impurity concentration was determined by comparing the filters against a set of standards. A photometer will provide a more exact determination of snow impurities in the near future. Preliminary soot observations indicate prairie snow pack concentrations ranging from 1 ngC/g to 236 ngC/g with an average of 61.4 ngC/g. These measurements are within range of previously published values in the Arctic and can lower snow albedo. Differences in soot concentrations were observed between the two Iowa snowfall events. Impurity concentrations measured

  17. The Tomonaga-Luttinger liquid with quantum impurity revisited: Critical line and phase diagram

    NASA Astrophysics Data System (ADS)

    Lee, Taejin

    2017-01-01

    We revisit the (1 + 1) dimensional field theoretical model, which describes the Tomonaga-Luttinger liquid (TLL), interacting with a static impurity at the origin of the half line. Applying the Fermi-Bose equivalence and finite conformal transformations only, we map the model onto the Schmid model. Some details of the bosonization procedure have been given. The critical line and the phase diagram of the model follow from the renormalization group analysis of the Schmid model. The obtained critical line of the model is a hyperbola in the parameter space of the two couplings of the TLL.

  18. Spin-orbit interactions in a helical Luttinger liquid with a Kondo impurity

    NASA Astrophysics Data System (ADS)

    Eriksson, Erik

    2013-03-01

    We study the transport properties of a helical Luttinger liquid with a Kondo impurity and spin-orbit interactions. Such a system, which may be realized at the edge of a quantum spin Hall insulator with a gate-induced electric field, provides a mechanism to electrically control the conductance. A Rashba spin-orbit interaction may even change the nature of the Kondo screening [Eriksson et al., Phys. Rev. B 86, 161103(R) (2012)]. Considering other types of spin-orbit interactions, together with an extended non-equilibrium analysis, we further improve the understanding of these phenomena.

  19. Impurity effects on orientation of lysozyme crystals nucleated on fatty acid thin films

    NASA Astrophysics Data System (ADS)

    Kubo, T.; Hondoh, H.; Nakada, T.

    2008-04-01

    Commercially available lysozyme samples that have different lot numbers (E02Z04 and E05802) were crystallized on fatty acid thin films. The orientation of lysozyme crystals nucleated on the films was investigated by atomic force microscopy and optical microscopy. The numbers of lysozyme crystals with specific planes parallel to the films are different. In other words, the impurities contained in commercial lysozyme significantly affect the orientation of lysozyme crystals. Detailed analysis of the orientation distribution of the lysozyme crystals nucleated from the purified sample showed that acetic acid is one of the substances promote the epitaxy.

  20. Identification, synthesis, isolation and characterization of new impurity in metoprolol tartrate tablets.

    PubMed

    Reddy, R Buchi; More, Kishor R; Gupta, Leena; Jha, Mukesh S; Magar, Laki

    2016-01-05

    A new unknown impurity was observed in accelerated stability studies of Metoprolol tartrate tablets. This impurity has been identified, synthesized and characterized through different spectral studies and confirmed as an adduct of lactose and Metoprolol formed by Maillard reaction.

  1. Detection of innate immune response modulating impurities in therapeutic proteins.

    PubMed

    Haile, Lydia Asrat; Puig, Montserrat; Kelley-Baker, Logan; Verthelyi, Daniela

    2015-01-01

    Therapeutic proteins can contain multiple impurities, some of which are variants of the product, while others are derived from the cell substrate and the manufacturing process. Such impurities, even when present at trace levels, have the potential to activate innate immune cells in peripheral blood or embedded in tissues causing expression of cytokines and chemokines, increasing antigen uptake, facilitating processing and presentation by antigen presenting cells, and fostering product immunogenicity. Currently, while products are tested for host cell protein content, assays to control innate immune response modulating impurities (IIRMIs) in products are focused mainly on endotoxin and nucleic acids, however, depending on the cell substrate and the manufacturing process, numerous other IIRMI could be present. In these studies we assess two approaches that allow for the detection of a broader subset of IIRMIs. In the first, we use commercial cell lines transfected with Toll like receptors (TLR) to detect receptor-specific agonists. This method is sensitive to trace levels of IIRMI and provides information of the type of IIRMIs present but is limited by the availability of stably transfected cell lines and requires pre-existing knowledge of the IIRMIs likely to be present in the product. Alternatively, the use of a combination of macrophage cell lines of human and mouse origin allows for the detection of a broader spectrum of impurities, but does not identify the source of the activation. Importantly, for either system the lower limit of detection (LLOD) of impurities was similar to that of PBMC and it was not modified by the therapeutic protein tested, even in settings where the product had inherent immune modulatory properties. Together these data indicate that a cell-based assay approach could be used to screen products for the presence of IIRMIs and inform immunogenicity risk assessments, particularly in the context of comparability exercises.

  2. Effect of inactive impurities on the burning of ICF targets

    SciTech Connect

    Gus'kov, S. Yu.; Il'in, D. V.; Sherman, V. E.

    2011-12-15

    The efficiency of thermonuclear burning of the spherical deuterium-tritium (DT) plasma of inertial confinement fusion (ICF) targets in the presence of low-Z impurities (such as lithium, carbon, or beryllium) with arbitrary concentrations is investigated. The effect of impurities produced due to the mixing of the thermonuclear fuel with the material of the structural elements of the target during its compression on the process of target burning is studied, and the possibility of using solid noncryogenic thermonuclear fuels in ICF targets is analyzed. Analytical dependences of the ignition energy and target thermonuclear gain on the impurity concentration are obtained. The models are constructed for homogeneous and inhomogeneous plasmas for the case in which the burning is initiated in the central heated region of the target and then propagates into the surrounding relatively cold fuel. Two possible configurations of an inhomogeneous plasma, namely, an isobaric configuration formed in the case of spark ignition of the target and an isochoric configuration formed in the case of fast ignition, are considered. The results of numerical simulations of the burning of the DT plasma of ICF targets in a wide range of impurity concentrations are presented. The simulations were performed using the TEPA one-dimensional code, in which the thermonuclear burning kinetics is calculated by the Monte Carlo method. It is shown that the strongest negative effect related to the presence of impurities is an increase in the energy of target ignition. It is substantiated that the most promising solid noncryogenic fuel is DT hydride of beryllium (BeDT). The requirements to the plasma parameters at which BeDT can be used as a fuel in noncryogenic ICF targets are determined. Variants of using noncryogenic targets with a solid thermonuclear fuel are proposed.

  3. Electronic structure and magnetic properties of dilute U impurities in metals

    NASA Astrophysics Data System (ADS)

    Mohanta, S. K.; Cottenier, S.; Mishra, S. N.

    2016-05-01

    The electronic structure and magnetic moment of dilute U impurity in metallic hosts have been calculated from first principles. The calculations have been performed within local density approximation of the density functional theory using Augmented plane wave+local orbital (APW+lo) technique, taking account of spin-orbit coupling and Coulomb correlation through LDA+U approach. We present here our results for the local density of states, magnetic moment and hyperfine field calculated for an isolated U impurity embedded in hosts with sp-, d- and f-type conduction electrons. The results of our systematic study provide a comprehensive insight on the pressure dependence of 5f local magnetism in metallic systems. The unpolarized local density of states (LDOS), analyzed within the frame work of Stoner model suggest the occurrence of local moment for U in sp-elements, noble metals and f-block hosts like La, Ce, Lu and Th. In contrast, U is predicted to be nonmagnetic in most transition metal hosts except in Sc, Ti, Y, Zr, and Hf consistent with the results obtained from spin polarized calculation. The spin and orbital magnetic moments of U computed within the frame of LDA+U formalism show a scaling behavior with lattice compression. We have also computed the spin and orbital hyperfine fields and a detail analysis has been carried out. The host dependent trends for the magnetic moment, hyperfine field and 5f occupation reflect pressure induced change of electronic structure with U valency changing from 3+ to 4+ under lattice compression. In addition, we have made a detailed analysis of the impurity induced host spin polarization suggesting qualitatively different roles of f-band electrons on moment stability. The results presented in this work would be helpful towards understanding magnetism and spin fluctuation in U based alloys.

  4. Device for sampling and enriching impurities in hydrogen comprising hydrogen-permeable membrane

    DOEpatents

    Ahmed, Shabbir; Papadias, Dionissios D.; Lee, Sheldon D. H.; Kumar, Romesh

    2017-01-31

    Provided herein are methods and devices to enrich trace quantities of impurities in gaseous mixtures, such as hydrogen fuel. The methods and devices rely on concentration of impurities so as to allow the detection of the impurities using commonly-available detection methods.

  5. 19 CFR 151.46 - Allowance for detectable moisture and impurities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 19 Customs Duties 2 2011-04-01 2011-04-01 false Allowance for detectable moisture and impurities... Petroleum and Petroleum Products § 151.46 Allowance for detectable moisture and impurities. An allowance for all detectable moisture and impurities present in or upon imported petroleum or petroleum...

  6. 19 CFR 151.46 - Allowance for detectable moisture and impurities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 19 Customs Duties 2 2014-04-01 2014-04-01 false Allowance for detectable moisture and impurities... Petroleum and Petroleum Products § 151.46 Allowance for detectable moisture and impurities. An allowance for all detectable moisture and impurities present in or upon imported petroleum or petroleum...

  7. 19 CFR 151.46 - Allowance for detectable moisture and impurities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 19 Customs Duties 2 2012-04-01 2012-04-01 false Allowance for detectable moisture and impurities... Petroleum and Petroleum Products § 151.46 Allowance for detectable moisture and impurities. An allowance for all detectable moisture and impurities present in or upon imported petroleum or petroleum...

  8. 19 CFR 151.46 - Allowance for detectable moisture and impurities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 19 Customs Duties 2 2013-04-01 2013-04-01 false Allowance for detectable moisture and impurities... Petroleum and Petroleum Products § 151.46 Allowance for detectable moisture and impurities. An allowance for all detectable moisture and impurities present in or upon imported petroleum or petroleum...

  9. 19 CFR 151.46 - Allowance for detectable moisture and impurities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 19 Customs Duties 2 2010-04-01 2010-04-01 false Allowance for detectable moisture and impurities... Petroleum and Petroleum Products § 151.46 Allowance for detectable moisture and impurities. An allowance for all detectable moisture and impurities present in or upon imported petroleum or petroleum...

  10. Shape of impurity electronic absorption bands in a nematic liquid crystal

    SciTech Connect

    Aver`yanov, E.M.

    1995-02-01

    It is shown that the anisotropic intermolecular impurity-matrix interactions, statistical orientation properties, and the electronic structure of the uniaxial impurity molecules considerably affect the spectral moments of the impurity electronic adsorption bands in a nematic liquid crystal. 15 refs., 3 figs.

  11. Identification, synthesis and structural characterization of process related and degradation impurities of acrivastine and validation of HPLC method.

    PubMed

    Kumar, Ajay; Devineni, Subba Rao; Dubey, Shailender Kumar; Kumar, Pradeep; Srivastava, Vishal; Ambulgekar, Girish; Jain, Mohit; Gupta, Dharmendra Kumar; Singh, Gurmeet; Kumar, Rajesh; Hiriyanna, S G; Kumar, Pramod

    2016-10-17

    Four impurities (Imp-I-IV) were detected using gradient HPLC method in few laboratory batches of acrivastine in the level of 0.03-0.12% and three impurities (Imp-I-III) were found to be known and one (Imp-IV) was unknown. In forced degradation study, the drug is degraded into four degradation products under oxidation and photolytic conditions. Two impurities (Imp-III and -IV) were concurred with process related impurities whereas Imp-V and -VI were identified as new degradation impurities. Based on LC-ESI/MS(n) study, the chemical structures of new impurities were presumed as 1-[(2E)-3-(4-methylphenyl)-3-{6-[(1E)-3-oxobut-1-en-1-yl]pyridin-2-yl}prop-2-en-1-yl]pyrrolidin-1-ium-1-olate (Imp-IV), 1-{[3-(4-methylphenyl)-3-{6-[(1E)-3-oxobut-1-en-1-yl]pyridin-2-yl}oxiran-2-yl]methyl}pyrrolidin-1-ium-1-olate (Imp-V) and 2-[2-(4-methylphenyl)-3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]oxiran-2-yl]-6-[(1E)-3-oxobut-1-en-1-yl]pyridin-1-ium-1-olate (Imp-VI), and confirmed by their synthesis followed by spectroscopic analysis, IR, NMR ((1)H, (13)C) and mass. An efficient and selective high-performance liquid chromatography method has been developed and resolved well the drug related substances on a Phenomenex Gemini C-18 (250×4.6mm, particle size 5μm) column. The mobile phase was composed of sodium dihydrogen phosphate (10mM) and methanol, temperature at 25°C, and a PDA detector set at 254nm used for detection. The method was validated with respect to specificity, linearity, precision, accuracy, and sensitivity and satisfactory results were achieved. Identification, synthesis, characterization of impurities and method validation were first reported in this paper.

  12. Evaluation of host inflammatory responses of β-tricalcium phosphate bioceramics caused by calcium pyrophosphate impurity using a subcutaneous model.

    PubMed

    Lin, Kaili; Yuan, Wei; Wang, Lu; Lu, Jianxi; Chen, Lei; Wang, Zhen; Chang, Jiang

    2011-11-01

    Implantation of synthetic materials into body elicits inflammatory host responses that limit medical device integration and biological performance. Since the effective use of biomaterials in vivo requires good biocompatibility and bio-functionality, it is vital that we assess the inflammatory reactions provoked by various implanted biomaterials. In chemical precipitation of β-tricalcium phosphate [β-Ca₃(PO₄)₂, β-TCP], the impurity of calcium pyrophosphate (Ca₂P₂O₇, CPP) will easily appear if the preparation conditions are not well controlled. To test the influences of CCP-impurity on the biocompatibility of the material, four groups of β-TCP ceramic samples doped with 0.5-10 wt % of CCP impurity, and pure β-TCP and CCP samples were fabricated and implanted in rat subcutaneous site for one, two, and four weeks. The host tissue responses to the ceramics were evaluated by histomorphometric analysis, and the results were compared with pure β-TCPbioceramics. The results show that the CPP impurity can elicit and stimulate the inflammatory responses at the tissue/implant interface. Moreover, with the increase of CPP doping amount, the inflammation increases apparently. However, the pure β-TCP bioceramics only present slight post-implantation inflammatory responses. The influence of the CPP doping on the inflammatory responses is mainly related to a microparticles release because of an insufficient sintering of β-TCP by CPP doping. The microparticle release could be at the origin of local inflammation and cell/tissue damages. Therefore, to obtain perfect biocompatibility and high quality β-TCP bioceramics, it is important to avoid and control the CPP impurity in the preparation of β-TCP powders and bioceramics.

  13. Gas generation in pure and impure plutonium-bearing materials

    SciTech Connect

    Mason, R.; Allen, T.; Eller, P.G.; Hagan, R.; Horrell, D.; Rink, N.

    1999-07-01

    The Los Alamos National Laboratory's (LANL's) materials identification and surveillance (MIS) project identifies materials to be stored in DOE-STD-3013-96 containers, determines the chemical and physical character of stored materials, and evaluates processing to be used to stabilize materials to meet the standard. The project has completed processing and analysis of 9 Hanford items and 24 Rocky Flats items, representing a substantial portion of the oxides to be packaged for long-term storage. The resultant data provide insight into the physical and chemical characteristics of the materials at the sites. A component of the study was to investigate gas generation for representative materials. These studies included headspace gas measurements over the 9 Hanford items, measurement of gas generation in 10-g surveillance samples of MIS powders, and pressure monitoring. Before examining the Hanford cans, sampling and analysis methods were demonstrated on HRA-905191, an item from the LANL vault. This item was not typical of materials designated to be stored in 3013 cans, as it contained plastic vials, emery cloths, paper towels, and a large percentage of thorium. However, it was one of the items that contained significant hydrogen in the headspace. A mass spectrometer was used to determine the composition of headspace gases. Oxygen was substantially depleted in all cases, and the percent of nitrogen in many items was greater than that found in air. In both cans with a high hydrogen content, the corresponding oxygen content was near zero (HRA905191 and ARF-102-85-365). In some cases, carbon dioxide was generated in the cans. Carbon monoxide was found in item BLO-39-11-85-295. This item has a high americium content, thus higher temperature than other materials examined. The only notable impurities in item BLO-39-11-85-295 were carbon at {approximately}0.1 wt% and chlorides at 0.2 wt%. Seven long-term surveillance vessels each holding {approximately}10 g of MIS powders have

  14. ESTIMATING IMPURITIES IN SURPLUS PLUTONIUM FOR DISPOSITION

    SciTech Connect

    Allender, J.; Moore, E.

    2013-07-17

    The United States holds at least 61.5 metric tons (MT) of plutonium that is permanently excess to use in nuclear weapons programs, including 47.2 MT of weapons-grade plutonium. Surplus inventories will be stored safely by the Department of Energy (DOE) and then transferred to facilities that will prepare the plutonium for permanent disposition. The Savannah River National Laboratory (SRNL) operates a Feed Characterization program for the Office of Fissile Materials Disposition of the National Nuclear Security Administration and the DOE Office of Environmental Management. Many of the items that require disposition are only partially characterized, and SRNL uses a variety of techniques to predict the isotopic and chemical properties that are important for processing through the Mixed Oxide Fuel Fabrication Facility and alternative disposition paths. Recent advances in laboratory tools, including Prompt Gamma Analysis and Peroxide Fusion treatment, provide data on the existing inventories that will enable disposition without additional, costly sampling and destructive analysis.

  15. Development of a simple and stability-indicating RP-HPLC method for determining olanzapine and related impurities generated in the preparative process.

    PubMed

    Cui, Daoping; Li, Yueqing; Lian, Mingming; Yang, Feng; Meng, Qingwei

    2011-08-07

    A simple and stability-indicating reverse phase high performance liquid chromatographic (RP-HPLC) method was developed and validated for the determination of olanzapine (OLN) and related impurities in bulk drugs. Eight impurities were characterized respectively, and particularly a new process impurity from OLN synthesis was structurally confirmed as 1-(5-methylthionphen-2-yl)-1H-benzimidazol-2(3H)-one (Imp-7) by X-ray single crystal diffraction, MS, (1)H NMR, (13)C NMR and HSQC. A mechanism of formation pathway for Imp-7 was proposed. Optimum separation for OLN and eight related impurities was carried out on an Agilent Octyldecyl silica column (TC-C(18), 4.6 mm × 250 mm, 5 μm) using a gradient HPLC method. The method was validated with respect to specificity, linearity, accuracy, precision, LOD and LOQ. Regression analysis showed good correlation (r(2) > 0.9985) between the investigated component concentrations and their peak areas within the test ranges for OLN and eight impurities. The repeatability and intermediate precision, expressed as RSD, were less than 1.74%. The proposed stability-indicating method was suitable for routine quality control and drug analysis of OLN in bulk drugs.

  16. Investigation of the mechanism of impurity assisted nanoripple formation on Si induced by low energy ion beam erosion

    SciTech Connect

    Koyiloth Vayalil, Sarathlal; Gupta, Ajay; Roth, Stephan V.; Ganesan, V.

    2015-01-14

    A detailed mechanism of the nanoripple pattern formation on Si substrates generated by the simultaneous incorporation of pure Fe impurities at low energy (1 keV) ion beam erosion has been studied. To understand and clarify the mechanism of the pattern formation, a comparative analysis of the samples prepared for various ion fluence values using two complimentary methods for nanostructure analysis, atomic force microscopy, and grazing incidence small angle x-ray scattering has been done. We observed that phase separation of the metal silicide formed during the erosion does not precede the ripple formation. It rather concurrently develops along with the ripple structure. Our work is able to differentiate among various models existing in the literature and provides an insight into the mechanism of pattern formation under ion beam erosion with impurity incorporation.

  17. Determination of atracurium, cisatracurium and mivacurium with their impurities in pharmaceutical preparations by liquid chromatography with charged aerosol detection.

    PubMed

    Błazewicz, Agata; Fijałek, Zbigniew; Warowna-Grześkiewicz, Małgorzata; Jadach, Magdalena

    2010-02-19

    The Corona CAD (charged aerosol detection) is a new type of detector introduced for LC applications that has recently become widely applied in pharmaceutical analysis. The Corona CAD measures a physical property of analyte and responds to almost all non-volatile species, independently of their nature and spectral or physicochemical properties. The LC method with charged aerosol detection was developed for the determination of three isomers of atracurium, cisatracurium and also three isomers of mivacurium with their impurities. The limit of quantitation for laudanosine was 1 microg ml(-1). The elaborate method for the analysis of those active substances and laudanosine proved to be fast, precise, accurate and sensitive. All other impurities were identified using time-of-flight mass spectrometry with electrospray ionization.

  18. Four process-related potential new impurities in ticagrelor: Identification, isolation, characterization using HPLC, LC/ESI-MS(n), NMR and their synthesis.

    PubMed

    Kumar, Neeraj; Devineni, Subba Rao; Gajjala, Prasad Reddy; Gupta, Dharmendra Kumar; Bhat, Sandesh; Kumar, Rajesh; Dubey, Shailendra Kumar; Kumar, Pramod

    2016-02-20

    Five process-related impurities were detected in the range of 0.08-0.22% in ticagrelor laboratory batches by HPLC and LC-MS methods. These impurities were named as TIC Imp-I, -II, -III, -IV and -V. Four of these impurities, TIC Imp-I to -IV were unknown and have not been reported previously. Based on LC-ESI/MS(n) study, the chemical structures of new impurities were presumed as (1S,2S,3S,5S)-3-(2-hydroxyethoxy)-5-(7-amino-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d] pyrimidin-3-yl)cyclopentane-1,2-diol (TIC Imp-I), (1S,2S,3S,5S)-3-(7-((1R,2S)-2-(3,4-difluorophenyl)cyclopropylamino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo [4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (TIC Imp-II), (1S,2R,3S,4S)-4-(7-((1R,2S)-2-(3,4-difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2,3-triol (TIC Imp-III) and (3S,5S)-3-(7-((1R,2S)-2-(3,4-difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (TIC Imp-IV). The unknown impurities were isolated from enriched crude sample by column chromatography and preparative HPLC. The complete spectral analysis, MS, 1D NMR ((1)H, (13)C and DEPT), 2D NMR (HSQC and HMBC) and IR confirmed the proposed chemical structures of impurities. Identification, isolation, structural characterization, prospects for the formation of impurities and their synthesis were first reported in this paper.

  19. Identification and structural elucidation of two process impurities and stress degradants in darifenacin hydrobromide active pharmaceutical ingredient by LC-ESI/MS(n).

    PubMed

    Thomas, Saji; Paul, Saroj Kumar; Shandilya, Sanjeev; Agarwal, Ashutosh; Saxena, Nitesh; Awasthi, Arun Kumar; Matta, Hari babu; Vir, Dharam; Mathela, Chandra S

    2012-08-07

    The present study describes the identification and characterization of two process impurities and major stress degradants in darifenacin hydrobromide using high performance liquid chromatography (HPLC) analysis. Forced degradation studies confirmed that the drug substance was stable under acidic, alkaline, aqueous hydrolysis, thermal and photolytic conditions and susceptible only to oxidative degradation. Impurities were identified using liquid chromatography coupled with ion trap mass spectrometry (LC-MS/MS(n)). Proposed structures were unambiguously confirmed by synthesis followed by characterization using nuclear magnetic resonance spectroscopy (NMR), infrared spectroscopy (IR) and elemental analysis (EA). Based on the spectroscopic, spectrometric and elemental analysis data, the unknown impurities were characterized as 2-{1-[2-(2,3-dihydrobenzofuran-5-yl)-2-oxo-ethyl]-pyrrolidin-3-yl}-2,2-diphenylacetamide (Imp-A), 2-[1-(2-benzofuran-5-yl-ethyl)-pyrrolidin-3-yl]-2,2-diphenylacetamide (Imp-B), 2-{1-[2-(2,3-dihydrobenzofuran-5-yl)-ethyl]-1-oxy-pyrrolidin-3-yl}-2,2-diphenylacetamide (Imp-C) and 2-{1-[2-(7-bromo-2,3-dihydrobenzofuran-5-yl)-ethyl]-pyrrolidin-3-yl}-2,2-diphenylacetamide (Imp-D). Plausible mechanisms for the formation and control of these impurities have also been proposed. The method was validated as per regulatory guidelines to demonstrate specificity, sensitivity, linearity, precision, accuracy and the stability-indicating nature. Regression analysis showed a correlation coefficient value greater than 0.99 for darifenacin hydrobromide and its impurities. The accuracy of the method was established based on the recovery obtained between 86.6 and 106.7% for all impurities.

  20. Distribution of elastic strains appearing in gallium arsenide as a result of doping with isovalent impurities of phosphorus and indium

    SciTech Connect

    Pavlov, D. A.; Bidus, N. V.; Bobrov, A. I.; Vikhrova, O. V.; Volkova, E. I.; Zvonkov, B. N.; Malekhonova, N. V.; Sorokin, D. S.

    2015-01-15

    The distribution of elastic strains in a system consisting of a quantum-dot layer and a buried GaAs{sub x}P{sub 1−x} layer is studied using geometric phase analysis. A hypothesis is offered concerning the possibility of controlling the process of the formation of InAs quantum dots in a GaAs matrix using a local isovalent phosphorus impurity.

  1. HPLC-ELSD analysis of spectinomycin dihydrochloride and its impurities.

    PubMed

    Zhou, Junyi; Zhang, Lin; Wang, Yan; Yan, Chao

    2011-08-01

    A simple, rapid and reliable reversed-phase ion-pair chromatography method by HPLC coupled to an evaporative light scattering detector (ELSD) has been developed to simultaneously determine chloride, spectinomycin and its related substances in a sample. The column was a TSKgel ODS-100V. The mobile phase was ACN/aqueous solution of 15 mM ammonium acetate adjusted with TFA to pH 3.0 (2:98 v/v), in an isocratic mode. The drift tube temperature was set at 50°C and the nebulizing gas flow rate of air was 3.5 L/min for ELSD detection. Almost all of the reported degradation compounds of spectinomycin such as actinamine, actinospectinoic acid and biosynthesis intermediates such as dihydrospectinomycin diastereoisomers were baseline separated. MS was utilized for the identification of spectinomycin and its seven related substances. The method for the assay of spectinomycin was successfully validated with respect to accuracy, precision (RSD less than 2%), linearity (throughout the linear range 0.025-3 mg/mL, r=0.9993), sensitivity (LOD: 100 ng on column) and robustness. The experimental results demonstrated that the simultaneous determination of chloride, spectinomycin and related substances is feasible in a single run, which suggests applicability in routine assays.

  2. Detailed Chemical Analysis of Fuel Methanol for Trace Impurities.

    DTIC Science & Technology

    1986-09-01

    Trace metals were determined using Atomic Absorption Spectroscopy with both flame and graphite furnace capabilities. 0 Lead Content - Atomic absorption...limit of detection of 10 ppm, and detects organic chlorides. Trace metals were determined using atomic absorption spectroscopy (AAS). Sodium (Na) was

  3. Adopted low background techniques and analysis of radioactive trace impurities

    NASA Astrophysics Data System (ADS)

    Bernabei, R.; Belli, P.; Incicchitti, A.; Dai, C. J.

    2016-10-01

    The application of very low background techniques has a great importance in deep underground experiments devoted to the investigation of the Dark Matter (DM) particles and of other rare processes. In this paper, some related arguments are addressed mainly considering their crucial role in case of inorganic crystal scintillators developed for direct DM investigation and, in particular, in the realization of DAMA/LIBRA apparatus.

  4. Impurity/defect interactions during MeV Si{sup +} ion implantation annealing

    SciTech Connect

    Agarwal, A.; Koveshnikov, S.; Christensen, K.

    1995-08-01

    Ion implantation of dopant atoms at MeV energies is currently being explored in several integrated circuit device manufacturing processes. MeV implantation offers immediate advantages such as vertical well modulation, latch-up protection, device structure isolation, and reduced temperature processing. Simultaneously, it presents an opportunity to achieve {open_quotes}proximity{close_quotes} gettering of impurities from the active device region by placing high impurity solubility and/or secondary defect gettering sites within microns of the surface. If the MeV implanted species is a dopant ion, all three gettering mechanisms, i.e, segregation, relaxation and injection, can be involved in the gettering process, complicating the analysis and optimization of the process. However, investigation of gettering using non-dopant Si{sup +} ion damage allows the relaxation component of the gettering process to be isolated and examined separately. In general, gettering is verified by a reduction in impurity concentration in the region of interest, usually the device region, and/or a build-up of concentration/precipitation in a non-device sink region. An alternate and more meaningful approach is to use simple devices as materials characterization probes via changes in the electrical activity of the gettering sites. Device space charge probes also allow the evolution of the defect sites upon contamination to be tracked. We report here results of the electrical, structural, and chemical characterization of MeV implanted Si{sup +} damage using Deep Level Transient Spectroscopy (DLTS), Transmission Electron Microscopy (TEM), and Secondary Ion Mass Spectroscopy (SIMS). The damage has been characterized both as a function of annealing from 600 to 1100{degrees}C for 1 hr, and after contamination with Fe followed by low temperature gettering annealing.

  5. VARIABILITY STUDY TO DETERMINE THE SOLUBILITY OF IMPURITIES IN PLUTONIUM-BEARING, LANTHANIDE BOROSILICATE GLASS

    SciTech Connect

    Fox, K; Elizabeth Hoffman, E; Charles Crawford, C; Tommy Edwards, T; David Best, D; James Marra, J

    2007-09-26

    This study focuses on the development of a compositional envelope that describes the retention of various impurities in lanthanide borosilicate (LaBS) glass for vitrification and immobilization of excess, defense-related plutonium. A limited amount of impurity data for the various plutonium sources is available and projections were made through analysis of the available information. These projections were used to define types and concentrations of impurities in the LaBS glass compositions to be fabricated and tested. Sixty surrogate glass compositions were developed through a statistically designed approach to cover the anticipated ranges of concentrations for several impurity species expected in the plutonium feeds. An additional four glass compositions containing actual plutonium oxide were selected based on their targeted concentrations of metals and anions. The glasses were fabricated and characterized in the laboratory and shielded cells facility to determine the degree of retention of the impurity components, the impact of the impurities on the durability of each glass, and the degree of crystallization that occurred, both upon quenching and slow cooling. Overall, the LaBS glass system appears to be very tolerant of most of the impurity types and concentrations projected in the plutonium waste stream. For the surrogate glasses, the measured CuO, Ga{sub 2}O{sub 3}, Na{sub 2}O, NiO, and Ta{sub 2}O{sub 5} concentrations fell very close to their target values across the ranges of concentrations targeted in this study for each of these components. The measured CaO and PbO concentrations were consistently higher than the targeted values. The measured Cr{sub 2}O{sub 3} and Fe{sub 2}O{sub 3} concentrations were very close to the targets except for the one highest targeted value for each of these components. A solubility limit may have been approached in this glass system for K{sub 2}O and MgO. The measured Cl{sup -}, F{sup -}, SeO{sub 2} and SO{sub 4}{sup 2

  6. Determination of elemental impurities in plastic calibration standards using laser induced breakdown spectroscopy

    SciTech Connect

    McIntyre, D.; Ayyalasomayajula, K.; Jain, J.; Singh, J.; Yu-Yueh, F.

    2012-01-01

    Dual-energy computed tomography (CT) scanning is a rapidly emerging imaging technique employed in nondestructive evaluation of various materials. CT has been used for characterizing rocks and visualizing multiphase flow through rocks for over 25 years. The most common technique for dual-energy CT scanning relies on homogeneous calibration standards to produce the most accurate decoupled data. However, the use of calibration standards with impurities increases the probability of error in the reconstructed data and results in poor rock characterization. Laser-induced breakdown spectroscopy was used to determine impurity concentration in a set of commercially purchased calibration standards used in dual-energy scanning for material identification with coal samples. Two calibration models were developed by using univariate calibration with the internal ratio method and multiple linear regression. Seven elements (Al, Fe, Mg, Na, Ni, Sr, and Ti) were examined in five different samples containing varying amounts of each ion to compare calibration from univariate data analysis and from multivariate data analysis. The contaminant concentrations were also measured by a commercially available inductively coupled plasma optical emission spectroscopy instrument, and the data were used as a reference in developing calibration curves for a modified version of the single linear regression model and the multiple linear regression model.

  7. GLYCOLIC ACID PHYSICAL PROPERTIES, IMPURITIES, AND RADIATION EFFECTS ASSESSMENT

    SciTech Connect

    Pickenheim, B.; Bibler, N.

    2010-06-08

    The DWPF is pursuing alternative reductants/flowsheets to increase attainment to meet closure commitment dates. In fiscal year 2009, SRNL evaluated several options and recommended the further assessment of the nitric/formic/glycolic acid flowsheet. SRNL is currently performing testing with this flowsheet to support the DWPF down-select of alternate reductants. As part of the evaluation, SRNL was requested to determine the physical properties of formic and glycolic acid blends. Blends of formic acid in glycolic acid were prepared and their physical properties tested. Increasing amounts of glycolic acid led to increases in blend density, viscosity and surface tension as compared to the 90 wt% formic acid that is currently used at DWPF. These increases are small, however, and are not expected to present any difficulties in terms of processing. The effect of sulfur impurities in technical grade glycolic acid was studied for its impact on DWPF glass quality. While the glycolic acid specification allows for more sulfate than the current formic acid specification, the ultimate impact is expected to be on the order of 0.03 wt% sulfur in glass. Note that lower sulfur content glycolic acid could likely be procured at some increased cost if deemed necessary. A paper study on the effects of radiation on glycolic acid was performed. The analysis indicates that substitution of glycolic acid for formic acid would not increase the radiolytic production rate of H{sub 2} and cause an adverse effect in the SRAT or SME process. It has been cited that glycolic acid solutions that are depleted of O{sub 2} when subjected to large radiation doses produced considerable quantities of a non-diffusive polymeric material. Considering a constant air purge is maintained in the SRAT and the solution is continuously mixed, oxygen depletion seems unlikely, however, if this polymer is formed in the SRAT solution, the rheology of the solution may be affected and pumping of the solution may be

  8. GLYCOLIC ACID PHYSICAL PROPERTIES, IMPURITIES, AND RADIATION EFFECTS ASSESSMENT

    SciTech Connect

    Lambert, D.; Pickenheim, B.; Hay, M.

    2011-06-20

    The Defense Waste Processing Facility (DWPF) is pursuing alternative reductants/flowsheets to increase attainment to meet closure commitment dates. In fiscal year 2009, SRNL evaluated several options and recommended the further assessment of the nitric/formic/glycolic acid flowsheet. SRNL is currently performing testing with this flowsheet to support the DWPF down-select of alternate reductants. As part of the evaluation, SRNL was requested to determine the physical properties of formic and glycolic acid blends. Blends of formic acid in glycolic acid were prepared and their physical properties tested. Increasing amounts of glycolic acid led to increases in blend density, viscosity and surface tension as compared to the 90 wt% formic acid that is currently used at DWPF. These increases are small, however, and are not expected to present any difficulties in terms of processing. The effect of sulfur impurities in technical grade glycolic acid was studied for its impact on DWPF glass quality. While the glycolic acid specification allows for more sulfate than the current formic acid specification, the ultimate impact is expected to be on the order of 0.03 wt% sulfur in glass. Note that lower sulfur content glycolic acid could likely be procured at some increased cost if deemed necessary. A paper study on the effects of radiation on glycolic acid was performed. The analysis indicates that substitution of glycolic acid for formic acid would not increase the radiolytic production rate of H{sub 2} and cause an adverse effect in the SRAT or SME process. It has been cited that glycolic acid solutions that are depleted of O{sub 2} when subjected to large radiation doses produced considerable quantities of a non-diffusive polymeric material. Considering a constant air purge is maintained in the SRAT and the solution is continuously mixed, oxygen depletion seems unlikely, however, if this polymer is formed in the SRAT solution, the rheology of the solution may be affected and

  9. Impurities near an antiferromagnetic-singlet quantum critical point

    DOE PAGES

    Mendes-Santos, T.; Costa, N. C.; Batrouni, G.; ...

    2017-02-15

    Heavy-fermion systems and other strongly correlated electron materials often exhibit a competition between antiferromagnetic (AF) and singlet ground states. We examine the effect of impurities in the vicinity of such an AF-singlet quantum critical point (QCP), through an appropriately defined “impurity susceptibility” χimp, using exact quantum Monte Carlo simulations. Our key finding is a connection within a single calculational framework between AF domains induced on the singlet side of the transition and the behavior of the nuclear magnetic resonance (NMR) relaxation rate 1/T1. Furthermore, we show that local NMR measurements provide a diagnostic for the location of the QCP, whichmore » agrees remarkably well with the vanishing of the AF order parameter and large values of χimp.« less

  10. Blocked impurity band hybrid infrared focal plane arrays for astronomy

    NASA Technical Reports Server (NTRS)

    Reynolds, D. B.; Seib, D. H.; Stetson, S. B.; Herter, T.; Rowlands, N.

    1989-01-01

    High-performance infrared hybrid focal plane arrays using 10- x 50-element Si:As blocked-impurity-band (BIB) detectors (cutoff wavelength = 28 microns) and matching switched MOSFET multiplexers have been developed and characterized for space astronomy. Use of impurity-band-conduction technology provides detectors which are nuclear-radiation-hard and free of the many anomalies associated with conventional silicon photoconductive detectors. Emphasis in the present work is on recent advances in detector material quality which have led to significantly improved detector and hybrid characteristics. Results demonstrating increased quantum efficiency (particularly at short-wavelength infrared), obtained by varying the BIB detector properties (infrared active layer thickness and arsenic doping profile), are summarized. Measured read noise and dark current for different temperatures are reported. The hybrid array performance achieved demonstrates that BIB detectors are well suited for use in astronomical instrumentation.

  11. Radiative decay rates of impurity states in semiconductor nanocrystals

    NASA Astrophysics Data System (ADS)

    Turkov, Vadim K.; Baranov, Alexander V.; Fedorov, Anatoly V.; Rukhlenko, Ivan D.

    2015-10-01

    Doped semiconductor nanocrystals is a versatile material base for contemporary photonics and optoelectronics devices. Here, for the first time to the best of our knowledge, we theoretically calculate the radiative decay rates of the lowest-energy states of donor impurity in spherical nanocrystals made of four widely used semiconductors: ZnS, CdSe, Ge, and GaAs. The decay rates were shown to vary significantly with the nanocrystal radius, increasing by almost three orders of magnitude when the radius is reduced from 15 to 5 nm. Our results suggest that spontaneous emission may dominate the decay of impurity states at low temperatures, and should be taken into account in the design of advanced materials and devices based on doped semiconductor nanocrystals.

  12. Radiative decay rates of impurity states in semiconductor nanocrystals

    SciTech Connect

    Turkov, Vadim K.; Baranov, Alexander V.; Fedorov, Anatoly V.; Rukhlenko, Ivan D.

    2015-10-15

    Doped semiconductor nanocrystals is a versatile material base for contemporary photonics and optoelectronics devices. Here, for the first time to the best of our knowledge, we theoretically calculate the radiative decay rates of the lowest-energy states of donor impurity in spherical nanocrystals made of four widely used semiconductors: ZnS, CdSe, Ge, and GaAs. The decay rates were shown to vary significantly with the nanocrystal radius, increasing by almost three orders of magnitude when the radius is reduced from 15 to 5 nm. Our results suggest that spontaneous emission may dominate the decay of impurity states at low temperatures, and should be taken into account in the design of advanced materials and devices based on doped semiconductor nanocrystals.

  13. [Influence of impurities on waste plastics pyrolysis: products and emissions].

    PubMed

    Zhao, Lei; Wang, Zhong-Hui; Chen, De-Zhen; Ma, Xiao-Bo; Luan, Jian

    2012-01-01

    The study is aimed to evaluate the impact of impurities like food waste, paper, textile and especially soil on the pyrolysis of waste plastics. For this purpose, emissions, gas and liquid products from pyrolysis of waste plastics and impurities were studied, as well as the transfer of element N, Cl, S from the substrates to the pyrolysis products. It was found that the presence of food waste would reduce the heat value of pyrolysis oil to 27 MJ/kg and increase the moisture in the liquid products, therefore the food residue should be removed from waste plastics; and the soil, enhance the waste plastics' pyrolysis by improving the quality of gas and oil products. The presence of food residue, textile and paper leaded to higher gas emissions.

  14. Impurities near an antiferromagnetic-singlet quantum critical point

    NASA Astrophysics Data System (ADS)

    Mendes-Santos, T.; Costa, N. C.; Batrouni, G.; Curro, N.; dos Santos, R. R.; Paiva, T.; Scalettar, R. T.

    2017-02-01

    Heavy-fermion systems and other strongly correlated electron materials often exhibit a competition between antiferromagnetic (AF) and singlet ground states. Using exact quantum Monte Carlo simulations, we examine the effect of impurities in the vicinity of such an AF-singlet quantum critical point (QCP), through an appropriately defined "impurity susceptibility" χimp. Our key finding is a connection within a single calculational framework between AF domains induced on the singlet side of the transition and the behavior of the nuclear magnetic resonance (NMR) relaxation rate 1 /T1 . We show that local NMR measurements provide a diagnostic for the location of the QCP, which agrees remarkably well with the vanishing of the AF order parameter and large values of χimp.

  15. Wall Conditioning and Impurity Measurements in the PEGASUS Experiment

    NASA Astrophysics Data System (ADS)

    Ono, M.; Fonck, R.; Toonen, R.; Thorson, T.; Tritz, K.; Winz, G.

    1999-11-01

    Wall conditioning and impurity effects on plasma evolution are increasingly relevant to the PEGASUS program. Surface conditioning consists of hydrogen glow discharge cleaning (GDC) to remove water and oxides, followed by He GDC to reduce the hydrogen inventory. Isotope exchange measurements indicate that periodic He GDC almost eliminates uncontrolled fueling from gas desorbed from the limiting surfaces. Additional wall conditioning will include Ti gettering and/or boronization. Impurity monitoring is provided by the recent installation of a SPRED multichannel VUV spectrometer (wavelength range = 10-110 nm; 1 msec time resolution), several interference filter (IF) monochromators, and a multichannel Ross-filter SXR diode assembly (for CV, CVI, OVII, and OVIII). The IF monitors indicate increased C radiation upon contact of the plasma with the upper and lower limiters for highly elongated plasmas. This radiation appears correlated with a subsequent rollover in the plasma current, and motivates an upgrade to the poloidal limiters to provide better plasma-wall interaction control.

  16. Effect of copper impurity on polycrystalline silicon solar cells

    NASA Technical Reports Server (NTRS)

    Daud, T.; Koliwad, K. M.

    1978-01-01

    The presence of copper impurity, up to 10 to the 15th atoms/cc, in single crystal silicon has been shown to have no deleterious effect on the p-n junction solar cell performance. However, in polycrystalline silicon, copper atoms tend to migrate to the defect sites because of the structural sensitive properties of copper. This study was undertaken to investigate the influence of this behavior of copper impurity on the performance of p-n junction solar cells fabricated from structurally imperfect silicon. Two sets of polycrystalline silicon substrates containing copper were examined. In one set of samples, copper was incorporated during growth, whereas in the other, copper was diffused. Solar cells were fabricated on both the sets of substrates by a standard process. Dark and light I-V and spectral response characteristics of the cells were measured and compared with copper-free polycrystalline silicon solar cells. The results and the model are discussed.

  17. Effects of Impurities on Alumina-Niobium InterfacialMicrostructures

    SciTech Connect

    McKeown, Joseph T.; Sugar, Joshua D.; Gronsky, Ronald; Glaeser,Andreas M.

    2005-06-20

    Optical microscopy, scanning electron microscopy, and transmission electron microscopy were employed to examine the interfacial microstructural effects of impurities in alumina substrates used to fabricate alumina-niobium interfaces via liquid-film-assisted joining. Three types of alumina were used: undoped high-purity single-crystal sapphire; a high-purity, high-strength polycrystalline alumina; and a lower-purity, lower-strength polycrystalline alumina. Interfaces formed between niobium and both the sapphire and high-purity polycrystalline alumina were free of detectable levels of impurities. In the lower-purity alumina, niobium silicides were observed at the alumina-niobium interface and on alumina grain boundaries near the interface. These silicides formed in small-grained regions of the alumina and were found to grow from the interface into the alumina along grain boundaries. Smaller silicide precipitates found on grain boundaries are believed to form upon cooling from the bonding temperature.

  18. Anisotropic charged impurity-limited carrier mobility in monolayer phosphorene

    SciTech Connect

    Ong, Zhun-Yong; Zhang, Gang; Zhang, Yong Wei

    2014-12-07

    The room temperature carrier mobility in atomically thin 2D materials is usually far below the intrinsic limit imposed by phonon scattering as a result of scattering by remote charged impurities in its environment. We simulate the charged impurity-limited carrier mobility μ in bare and encapsulated monolayer phosphorene. We find a significant temperature dependence in the carrier mobilities (μ ∝ T{sup −γ}) that results from the temperature variability of the charge screening and varies with the crystal orientation. The anisotropy in the effective mass leads to an anisotropic carrier mobility, with the mobility in the armchair direction about one order of magnitude larger than in the zigzag direction. In particular, this mobility anisotropy is enhanced at low temperatures and high carrier densities. Under encapsulation with a high-κ overlayer, the mobility increases by up to an order of magnitude although its temperature dependence and its anisotropy are reduced.

  19. Effect of impurities on optical properties of pentaerythritol tetranitrate

    NASA Astrophysics Data System (ADS)

    Tsyshevskiy, Roman; Sharia, Onise; Kuklja, Maija M.

    2012-03-01

    Despite numerous efforts, the electronic nature of initiation of high explosives to detonation in general and mechanisms of their sensitivity to laser initiation in particular are far from being completely understood. Recent experiments show that Nd:YAG laser irradiation (at 1064nm) causes resonance explosive decomposition of PETN samples. In an attempt to shed some light on electronic excitations and to develop a rigorous interpretation to these experiments, the electronic structure and optical properties of PETN and a series of common impurities were studied. Band gaps (S0→S1) and optical singlet-triplet (S0→T1) transitions in both an ideal material and PETN containing various defects were simulated by means of state-of-the-art quantum-chemical computational techniques. It was shown that the presence of impurities in the PETN crystal causes significant narrowing of the band gap. The structure and role of molecular excitons in PETN are discussed.

  20. Effect of surface derived hydrocarbon impurities on Ar plasma properties

    SciTech Connect

    Fox-Lyon, Nick; Oehrlein, Gottlieb S.; Godyak, Valery

    2014-05-15

    The authors report on Langmuir probe measurements that show that hydrocarbon surfaces in contact with Ar plasma cause changes of electron energy distribution functions due to the flux of hydrogen and carbon atoms released by the surfaces. The authors compare the impact on plasma properties of hydrocarbon species gasified from an etching hydrocarbon surface with injection of gaseous hydrocarbons into Ar plasma. They find that both kinds of hydrocarbon injections decrease electron density and slightly increase electron temperatures of low pressure Ar plasma. For low percentages of impurities (∼1% impurity in Ar plasma explored here), surface-derived hydrocarbon species and gas phase injected hydrocarbon molecules cause similar changes of plasma properties for the same number of hydrocarbon molecules injected into Ar with a decrease in electron density of ∼4%.

  1. Nuclear spin-lattice relaxation in nanofluids with paramagnetic impurities.

    PubMed

    Furman, Gregory B; Goren, Shaul D; Meerovich, Victor M; Sokolovsky, Vladimir L

    2015-12-01

    We study the spin-lattice relaxation of the nuclear spins in a liquid or a gas entrapped in nanosized ellipsoidal cavities with paramagnetic impurities. Two cases are considered where the major axes of cavities are in orientational order and isotropically disordered. The evolution equation and analytical expression for spin lattice relaxation time are obtained which give the dependence of the relaxation time on the structural parameters of a nanocavity and the characteristics of a gas or a liquid confined in nanocavities. For the case of orientationally ordered cavities, the relaxation process is exponential. When the nanocavities are isotropically disordered, the time dependence of the magnetization is significantly non-exponential. As shown for this case, the relaxation process is characterized by two time constants. The measurements of the relaxation time, along with the information about the cavity size, allow determining the shape and orientation of the nanocavity and concentration of the paramagnetic impurities.

  2. Neoclassical Poloidal and Toroidal Velocities of Impurity Ions

    NASA Astrophysics Data System (ADS)

    Wong, S. K.; Chan, V. S.; Solomon, W. M.

    2008-11-01

    The poloidal and toroidal velocities of impurity ions in a two-ion species plasma for large aspect ratio circular flux surfaces are calculated in the banana and Pfirsch-Schulter regimes of neoclassical theory. The toroidal velocity is allowed to be comparable to the thermal speed of the impurity ions. Closed form expressions are obtained for these velocities in terms of the radial electric field as well as density and temperature gradients. The standard kinetic derivation adopted is compared with the moment approach to the same problems in the case of small toroidal velocities. Comparisons of the calculated poloidal velocity with experimental observations in DIII-D [1] show improved agreement due to the allowance of larger toroidal flows. 6pt [1] W.M. Solomon, Phys. Plasmas 13, 056116 (2006).

  3. Multi-level Algorithm for the Anderson Impurity Model

    NASA Astrophysics Data System (ADS)

    Chandrasekharan, S.; Yoo, J.; Baranger, H. U.

    2004-03-01

    We develop a new quantum Monte Carlo algorithm to solve the Anderson impurity model. Instead of integrating out the Fermions, we work in the Fermion occupation number basis and thus have direct access to the Fermionic physics. The sign problem that arises in this formulation can be solved by a multi-level technique developed by Luscher and Weisz in the context of lattice QCD [JHEP, 0109 (2001) 010]. We use the directed-loop algorithm to update the degrees of freedom. Further, this algorithm allows us to work directly in the Euclidean time continuum limit for arbitrary values of the interaction strength thus avoiding time discretization errors. We present results for the impurity susceptibility and the properties of the screening cloud obtained using the algorithm.

  4. Identification and characterization of process-related impurities of trans-resveratrol.

    PubMed

    Sivakumar, Balasubramanian; Murugan, Raman; Baskaran, Annamalai; Khadangale, Bhausaheb Pandharinath; Murugan, Saravanan; Senthilkumar, Udayampalayam Palanisamy

    2013-01-01

    This article deals with the identification and characterization of process-related impurities of trans-resveratrol (3,5,4'-trihydroxystilbene), which exhibits several health benefits, including cancer prevention. During the synthesis of the bulk drug resveratrol, three new impurities were observed. The impurities were detected using the high-performance liquid chromatographic (HPLC) method, whose area percentages ranged from 0.05 to 0.3%. A systematic study was carried out to characterize them. These impurities were isolated by preparative HPLC and characterized by spectral data, subjected to co-injection in HPLC, and were found to be matching with the impurities present in the sample. LC-MS was performed to identify the mass of these impurities. Based on their spectral data (IR, NMR, and Mass), these impurities were characterized as 2-benzyl-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol [Impurity-B], 3-(benzyloxy)-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol [Impurity-C], 5-{(E)-2-[4-(benzyloxy)phenyl]ethenyl}benzene-1,3-diol [Impurity-D). These compounds are not reported earlier as process-related impurities.

  5. Reactive impurities in excipients: profiling, identification and mitigation of drug-excipient incompatibility.

    PubMed

    Wu, Yongmei; Levons, Jaquan; Narang, Ajit S; Raghavan, Krishnaswamy; Rao, Venkatramana M

    2011-12-01

    Reactive impurities in pharmaceutical excipients could cause drug product instability, leading to decreased product performance, loss in potency, and/or formation of potentially toxic degradants. The levels of reactive impurities in excipients may vary between lots and vendors. Screening of excipients for these impurities and a thorough understanding of their potential interaction with drug candidates during early formulation development ensure robust drug product development. In this review paper, excipient impurities are categorized into six major classes, including reducing sugars, aldehydes, peroxides, metals, nitrate/nitrite, and organic acids. The sources of generation, the analytical method for detection, the stability of impurities upon storage and processing, and the potential reactions with drug candidates of these impurities are reviewed. Specific examples of drug-excipient impurity interaction from internal research and literature are provided. Mitigation strategies and corrective measures are also discussed.

  6. Isolation and characterisation of degradation impurities in the cefazolin sodium drug substance.

    PubMed

    Sivakumar, Balasubramanian; Parthasarathy, Kannabiran; Murugan, Raman; Jeyasudha, Ramajeyabalan; Murugan, Saravanan; Saranghdar, Rajendira Janardhan

    2013-01-01

    Two unknown impurities were detected in the cefazolin sodium bulk drug substance using gradient reversed-phase high-performance liquid chromategraphy (HPLC). These impurities were isolated by preparative HPLC and characterized by using spectroscopic techniques like LC-MS, LC-MS/MS, 1D, 2D NMR, and FT-IR. Based on the spectral data, the impurities have been characterized as N-(2,2-dihydroxyethyl)-2-(1H-tetrazol-1-yl)acetamide (Impurity-I) and 2-{carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (Impurity-II). The structures of these impurities were also established unambiguously by co-injection into HPLC to confirm the retention time. To the best of our knowledge, these two impurities were not reported elsewhere.

  7. Quantum interference on electron scattering in graphene by carbon impurities in underlying h -BN

    NASA Astrophysics Data System (ADS)

    Kaneko, Tomoaki; Koshino, Mikito; Saito, Riichiro

    2017-03-01

    Electronic structures and transport properties of graphene on h -BN with carbon impurities are investigated by first-principles calculation and the tight-binding model. We show that the coupling between the impurity level and the graphene's Dirac cone sensitively depends on the impurity position, and in particular, it nearly vanishes when the impurity is located right below the center of the six membered ring of graphene. The Bloch phase factor at the Brillouin zone edge plays a decisive role in the cancellation of the hopping integrals. The impurity position dependence on the electronic structures of graphene on h -BN is investigated by the first-principles calculation, and its qualitative feature is well explained by a tight-binding model with graphene and a single impurity site. We also propose a simple one-dimensional chain-impurity model to analytically describe the role of the quantum interference in the position-dependent coupling.

  8. Influence of Impurities on High-Temperature Reactions of Kaolinite

    SciTech Connect

    Johnson, Sylvia M.; Pask, Joseph A.; Moya, Jose S.

    1982-01-01

    On heating kaolinite in DTA the second exothermic peak (~1275°C) is due to growth of mullite crystals accelerated by formation of a liquid phase. The third exothermic peak (~1460°C) is due to crystallization of cristobalite, Addition or presence of impurity oxides causes the second peak to shift in temperature, and accelerates the formation of cristobalite so that the third peak could appear as low as the second exothermic peak temperature.

  9. Type-I integrable quantum impurities in the Heisenberg model

    NASA Astrophysics Data System (ADS)

    Doikou, Anastasia

    2013-12-01

    Type-I quantum impurities are investigated in the context of the integrable Heisenberg model. This type of defects is associated to the (q)-harmonic oscillator algebra. The transmission matrices associated to this particular type of defects are computed via the Bethe ansatz methodology for the XXX model, as well as for the critical and non-critical XXZ spin chain. In the attractive regime of the critical XXZ spin chain the transmission amplitudes for the breathers are also identified.

  10. Chemical impurity produces extra compound eyes and heads in crickets

    SciTech Connect

    Walton, B.T.

    1981-04-03

    A chemical impurity isolated from commercially purchased acridine causes cricket embryos to develop extra compound eyes, branched antennae, extra antennae, and extra heads. Purified acridine does not produce similar duplications of cricket heads or head structures nor do the substituted acridines proflavine, acriflavine, or acridine orange. A dose-response relation exists such that the number and severity of abnormalities increase with increasing concentration of the teratogen.

  11. Three structurally-related impurities in norvancomycin drug substance.

    PubMed

    Jiang, Zhibo; Lei, Xuan; Chen, Minghua; Jiang, Bingya; Wu, Linzhuan; Zhang, Xuexia; Zheng, Zhihui; Hu, Xinxin; You, Xuefu; Si, Shuyi; Wang, Lifei; Hong, Bin

    2017-02-01

    Norvancomycin (NVCM) is widely used in China to treat bacterial infections of Gram-positive cocci and bacilli, especially infections of methicillin-resistant Staphylococcus aureus and methicillin-resistant Staphylococcus epidermidis. This study is a chemical investigation of the drug substance of NVCM, and led to the identification, by 1D, 2D NMR spectra and HRESIMS, of three as yet undescribed impurities, one D-O-E ring expanded NVCM analog (1) and two derivatives of NVCM lacking sugars (2, 3).

  12. METHOD FOR REDUCING THE IMPURITY RESISTIVITY OF SODIUM

    DOEpatents

    Post, R.F.; Taylor, C.E.

    1963-08-13

    The inherent resistivity of sodium, at cryogenic temperatures, can be reduced by clustering the impurity atoms within the crystal latiice structure of the sodium, thereby reducing the effective electron collision cross section and thus reducing the number of collisions between the electrons and such lattice imperfections. The clustering is effected by heating the sodium to a temperature approaching its melting point, and maintaining the temperature for a period of time ranging generally from two to six days. (AEC)

  13. Far-infrared spectroscopy of impurities in semiconductors

    NASA Astrophysics Data System (ADS)

    Stradling, R. A.

    1991-06-01

    Far-infrared spectroscopy of the electronic transitions between bound states of impurities provides a very high resolution technique for studying chemical shifts and thereby identifying residual contaminants. The use of photoconductivity generated within the sample itself, usually by the photothermal mechanism ("photothermal ionisation spectroscopy"), enables very high sensitivity to be achieved even with very thin films or ultrahigh-purity material. The current knowledge about the identity of the residual shallow donors in GaAs, InP, InAs and InSb obtained with this technique is reviewed. With high-purity materials the magneto-optical spectrum of the shallow donors can be particularly rich and more than fifty lines can be observed with both GaAs and InP. Hydrostatic pressure provides a valuable additional experimental parameter in studies of impurities. Not only does the pressure-induced increase in mass improve the resolution of the "fine structure" due to different chemical species but additional states can be introduced into the forbidden energy gap. Results with both InSb and GaAs have shown that generally donors in direct-gap III-V materials may be expected to have three types of state: the familiar gamma-associated donors, localised states with A 1 symmetry which are normally resonant within the conduction band and metastable DX states. Negatively charged shallow donor states (D - states) and "molecular" combinations where the electrons are shared between two or more donor sites have been studied by infrared spectroscopy of III-V materials. These states are important precursors of the metal-insulator transition. Recently there have been a number of studies of impurities within quantum wells and heterostructures. The dependence of impurity energy on distance from the well edge has been established and it has been shown that high concentrations of D - states can be formed by remote deping of the structures.

  14. Effect of zinc impurity on silicon solar-cell efficiency

    NASA Technical Reports Server (NTRS)

    Sah, C.-T.; Chan, P. C. H.; Wang, C.-K.; Yamakawa, K. A.; Lutwack, R.; Sah, R. L.-Y.

    1981-01-01

    Zinc is a major residue impurity in the preparation of solar-grade silicon material by the zinc vapor reduction of silicon tetrachloride. This paper projects that in order to get a 17-percent AM1 cell efficiency for the Block IV module of the Low-Cost Solar Array Project, the concentration of the zinc recombination centers in the base region of silicon solar cells must be less than 4 x 10 to the 11th Zn/cu cm in the p-base n+/p/p+ cell and 7 x 10 to the 11th Zn/cu cm in the n-base p+/n/n+ cell for a base dopant impurity concentration of 5 x 10 to the 14 atoms/cu cm. If the base dopant impurity concentration is increased by a factor of 10 to 5 x 10 to the 15th atoms/cu cm, then the maximum allowable zinc concentration is increased by a factor of about two for a 17-percent AM1 efficiency. The thermal equilibrium electron and hole recombination and generation rates at the double-acceptor zinc centers are obtained from previous high-field measurements as well as new measurements at zero field described in this paper. These rates are used in the exact dc-circuit model to compute the projections.

  15. Thermodynamics of impurity-enhanced vacancy formation in metals

    NASA Astrophysics Data System (ADS)

    Bukonte, Laura; Ahlgren, Tommy; Heinola, Kalle

    2017-01-01

    Hydrogen induced vacancy formation in metals and metal alloys has been of great interest during the past couple of decades. The main reason for this phenomenon, often referred to as the superabundant vacancy formation, is the lowering of vacancy formation energy due to the trapping of hydrogen. By means of thermodynamics, we study the equilibrium vacancy formation in fcc metals (Pd, Ni, Co, and Fe) in correlation with the H amounts. The results of this study are compared and found to be in good agreement with experiments. For the accurate description of the total energy of the metal-hydrogen system, we take into account the binding energies of each trapped impurity, the vibrational entropy of defects, and the thermodynamics of divacancy formation. We demonstrate the effect of vacancy formation energy, the hydrogen binding, and the divacancy binding energy on the total equilibrium vacancy concentration. We show that the divacancy fraction gives the major contribution to the total vacancy fraction at high H fractions and cannot be neglected when studying superabundant vacancies. Our results lead to a novel conclusion that at high hydrogen fractions, superabundant vacancy formation takes place regardless of the binding energy between vacancies and hydrogen. We also propose the reason of superabundant vacancy formation mainly in the fcc phase. The equations obtained within this work can be used for any metal-impurity system, if the impurity occupies an interstitial site in the lattice.

  16. Gyrokinetic modelling of stationary electron and impurity profiles in tokamaks

    SciTech Connect

    Skyman, A. Tegnered, D. Nordman, H. Strand, P.

    2014-09-15

    Particle transport due to Ion Temperature Gradient (ITG)/Trapped Electron Mode (TEM) turbulence is investigated using the gyrokinetic code GENE. Both a reduced quasilinear treatment and nonlinear simulations are performed for typical tokamak parameters corresponding to ITG dominated turbulence. The gyrokinetic results are compared and contrasted with results from a computationally efficient fluid model. A selfconsistent treatment is used, where the stationary local profiles are calculated corresponding to zero particle flux simultaneously for electrons and trace impurities. The scaling of the stationary profiles with magnetic shear, safety factor, electron-to-ion temperature ratio, collisionality, toroidal sheared rotation, plasma β, triangularity, and elongation is investigated. In addition, the effect of different main ion mass on the zero flux condition is discussed. The electron density gradient can significantly affect the stationary impurity profile scaling. It is therefore expected that a selfconsistent treatment will yield results more comparable to experimental results for parameter scans where the stationary background density profile is sensitive. This is shown to be the case in scans over magnetic shear, collisionality, elongation, and temperature ratio, for which the simultaneous zero flux electron and impurity profiles are calculated. A slight asymmetry between hydrogen, deuterium, and tritium with respect to profile peaking is obtained, in particular, for scans in collisionality and temperature ratio.

  17. Impurity Profiles in the MST Reversed-Field Pinch

    NASA Astrophysics Data System (ADS)

    Woehrer, D.; den Hartog, D. J.; Chapman, J. T.

    1996-11-01

    We have spectroscopically measured the radial distribution of several impurities in the MST Reversed-Field Pinch plasma.(This work was supported by the U. S. Department of Energy.) For several years we have operated a passive high-speed Doppler spectrometer [D. J. Den Hartog and R. J. Fonck, Rev. Sci. Instrum. 65, 3238 (1994)] on MST to measure impurity flow velocity and ion temperature. We have evidence that the flow velocity radial profile has substantial structure, with the flow at the edge sometimes oppositely directed to that in the core. These measurements were taken by comparing the flow of an edge state (C III, for example) to a core state (C V). It is crucial that we precisely measure this flow profile and its variation during a sawtooth cycle. Therefore, we must accurately measure the location of the various emission shells of the impurity ionization states. This is being accomplished with an array of small f = 20 cm holographic grating monochromators. Light is coupled into them via separate fused silica fiber optic bundles from a radial array of light collection chords. We will make measurements of emission profiles from ions such as B III, B IV, C III, C V, and O V.

  18. Periodically driven Kondo impurity in nonequilibrium steady states

    NASA Astrophysics Data System (ADS)

    Iwahori, Koudai; Kawakami, Norio

    2016-12-01

    We study the nonequilibrium dynamics of a periodically driven anisotropic Kondo impurity model. The periodic time dependence is introduced for a local magnetic field which couples to the impurity spin and also for an in-plane exchange interaction. We obtain the exact results on the time evolution for arbitrary periodic time dependence at the special point in the parameter space known as the Toulouse limit. We first consider a specific case where the local magnetic field is periodically switched on and off. When the driving period is much shorter than the inverse of the Kondo temperature, an intriguing oscillating behavior (resonance phenomenon) emerges in the time average of the impurity spin polarization with increasing the local magnetic field intensity. By taking the high-frequency limit of the external driving, we elucidate that the system recovers the translational invariance in time and can be described by a mixture of the zero-temperature and infinite-temperature properties. In certain cases, the system is governed by either zero-temperature or infinite-temperature properties and, therefore, can be properly described by the corresponding equilibrium state.

  19. Transport of light, trace impurities in Alcator C-Mod

    NASA Astrophysics Data System (ADS)

    Rowan, W. L.; Bespamyatnov, I. O.; Liao, K. T.; Horton, W.; Fu, X. R.; Hughes, J. W.

    2012-10-01

    Light impurity profiles for boron were measured in ITB, H-mode, L-mode, and I-mode discharges in Alcator C-Mod. Within this wide range of modes, the profiles varied from peaked to hollow to flat. Specifically, hollow profiles are often observed in H-mode, while ITBs produce strong peaking, and L-mode produces moderate peaking. I-mode discharges are characterized by flat impurity profiles. For the study reported here, the profiles were measured with charge exchange recombination spectroscopy. The dependences of Rv/D were sought on dimensionless quantities including ion density scale length, effective charge, collisionality, and temperature scale length. We find that neoclassical transport consistently underestimates the measured transport. The excess measured transport is assumed to be turbulent. The strongest dependence of Rv/D is with temperature scale length. In addition, the measured transport was compared with the prediction of an analytical theory of drift wave turbulence that identifies transport implications for drift waves driven by ion and impurity density gradients.

  20. Nitrogen Impurity Gettering in Oxide Dispersion Ductilized Chromium

    SciTech Connect

    Brady, Michael P; Anderson, Ian M; Weaver, Mark; Meyer III, Harry M; Walker, Larry R; Miller, Michael K; Larson, David James; Wright, Ian G; Sikka, Vinod K; Rar, Andrei; Pharr, George Mathews; Keiser, James R; Walls, Claudia Alexandra

    2003-01-01

    Work by Scruggs in the 1960s demonstrated that tensile ductility could be achieved at room temperature in powder metallurgically-produced Cr alloyed with MgO. During consolidation, much of the MgO converted to the MgCr{sub 2}O{sub 4} spinel phase, which was hypothesized to getter nitrogen from the Cr, rendering it ductile. We have duplicated this effect, achieving room temperature tensile elongations of 4% for hot-pressed Cr-6MgO-(0-1)Ti (wt.%) and 10% for hot-pressed and extruded Cr-6MgO-0.75Ti. Direct incorporation of nitrogen into the MgCr{sub 2}O{sub 4} phase was not detected; however, impurities, particularly nitrogen and sulfur, were observed to segregate to and/or precipitate at interfaces between the MgO/MgCr{sub 2}O{sub 4} phases and the Cr matrix. Exploratory studies of other non-spinel forming oxide dispersions (La{sub 2}O{sub 3}, TiO{sub 2} and Y{sub 2}O{sub 3}) showed a similar pattern of impurity segregation/precipitation, suggesting that there is nothing unique about spinel dispersions in Cr with regards to impurities. However, none of these other dispersions resulted in similar levels of tensile elongation.

  1. The influence of impurities on the growth rate of calcite

    NASA Astrophysics Data System (ADS)

    Meyer, H. J.

    1984-05-01

    The effects of 34 different additives on the growth rate of calcite were investigated. An initial growth rate of about one crystal monolayer (3 × 10 -8 cm) per minute was adjusted at a constant supersaturation which was maintained by a control circuit. Then the impurity was added step by step and the reduction of the growth rate was measured. The impurity concentration necessary to reduce the initial growth rate by a certain percentage increased in the order Fe 2+, ATP, P 3O 5-10, P 2O 4-7, (PO 3) 6-6, Zn 2+, ADP, Ce 3+, Pb 2+, carbamyl phosphate, Fe 3+, PO 3-4, Co 2+, Mn 2+, Be 2+, β-glycerophosphate, Ni 2+, Cd 2+, "Tris", phenylphosphate, chondroitine sulphate, Ba 2+, citrate, AMP, Sr 2+, tricarballylate, taurine, SO 2-4, Mg 2+ by 4 orders of magnitude. The most effective additives halved the initial growth rate in concentrations of 2 × 10 -8 mol/1. For Fe 2+ the halving concentration was nearly proportional to the initial rate. The mechanism of inhibition by adsorption of the impurities at growth sites (kinks) is discussed.

  2. Infrared spectrometric measurement of impurities in highly enriched 'Si28'

    NASA Astrophysics Data System (ADS)

    Zakel, S.; Wundrack, S.; Niemann, H.; Rienitz, O.; Schiel, D.

    2011-04-01

    Within the scope of re-determining the Avogadro constant, the content of impurities in ultra-pure, mono-isotopically enriched silicon 'Si28' was measured by infrared spectrometry. The calibration factors required for the calculation of the concentrations from the maximum absorption coefficients had to be determined in this context for the isotopically enriched material. For this purpose a model was prepared, which enables conversion of the factors for Si with natural isotopic abundance. On the basis of these results, the concentrations of the three most decisive impurities in the enriched material were determined. These are oxygen atoms on interstitial sites and substituting carbon and boron atoms which occupy silicon sites. Whereas carbon and oxygen were measured in accordance with standardized procedures modified for the particular metrological use, the absorption measurement of the boron was carried out differently to the conventional standard. The concentrations determined for the three types of crystal impurities are high enough to make a correction of the lattice parameter for the 'Si28' material necessary.

  3. Approaches to modeling of plasmas containing impurity at arbitrary concentration

    NASA Astrophysics Data System (ADS)

    Tokar, Mikhail Z.

    2016-02-01

    A new approximate method to modeling of two-ion-species plasmas with arbitrary concentration of impurity is developed. It based on the usage of equations for the electron density and the ratio of the ion species densities as new dependent variables. In contrast to motion equations for the ion mass velocities used normally, those for the new variables have a singularity at the Debye sheath only, as in the case of a one species plasma. Computations for the most critical situations of weak and intermediate friction between species due to Coulomb collisions reproduce nearly perfectly the results got by solving the original equations, however within a calculation time reduced by a factor of 102-103. In the case of strong friction, where ions’ velocities are very close each other, the normal procedure does not converge at all, but the new one, being precise in this limit, operates very reliably. Calculations are done for conditions typical in the linear device PSI-2, with deuterium plasmas seeded by neon impurity. For fixed electron and ion temperatures a critical density of impurity atoms is found, at which the electron density grows without limits. Such a catastrophic behavior does not occur if the electron and ion heat balances are taken into account to calculate the temperature profiles self-consistently.

  4. Satellite Water Impurity Marker (SWIM) for predicting seasonal cholera outbreaks

    NASA Astrophysics Data System (ADS)

    Jutla, A. S.; Akanda, A. S.; Islam, S.

    2011-12-01

    Prediction of outbreaks of cholera, a deadly water related disease, remains elusive. Since coastal brackish water provides a natural ecological niche for cholera bacteria and because a powerful evidence of new biotypes is emerging, it is highly unlikely that cholera will be fully eradicated. Therefore, it is necessary to develop cholera prediction model with several months' of lead time. Satellite based estimates of chlorophyll, a surrogate for phytoplankton abundance, has been associated with proliferation of cholera bacteria. However, survival of cholera bacteria in a variety of coastal ecological environment put constraints on predictive abilities of chlorophyll algorithm since it only measures greenness in coastal waters. Here, we propose a new remote sensing reflectance based statistical index: Satellite Water Impurity Marker, or SWIM. This statistical index estimates impurity levels in the coastal waters and is based on the variability observed in the difference between the blue (412nm) and green (555nm) wavelengths in coastal waters. The developed index is bounded between clear and impure water and shows the ability to predict cholera outbreaks in the Bengal Delta with a predicted r2 of 78% with two months lead time. We anticipate that a predictive system based on SWIM will provide essential lead time allowing effective intervention and mitigation strategies to be developed for other cholera endemic regions of the world.

  5. Electro-migration of impurities in TlBr

    NASA Astrophysics Data System (ADS)

    Kim, Ki Hyun; Kim, Eunlim; Kim, H.; Tappero, R.; Bolotnikov, A. E.; Camarda, G. S.; Hossain, A.; Cirignano, L.; James, R. B.

    2013-10-01

    We observed the electro-migration of Cu, Ag, and Au impurities that exist in positive-ion states in TlBr detectors under electric field strengths typically used for device operation. The migration occurred predominantly through bulk- and specific-channels, which are presumed to be a network of grain and sub-grain boundaries. The electro-migration velocity of Cu, Ag, and Au in TlBr is about 4-8 × 10-8 cm/s at room temperature under an electric field of 500-800 V/mm. The instability and polarization effects of TlBr detectors might well be correlated with the electro-migration of residual impurities in TlBr, which alters the internal electric field over time. The effect may also have been due to migration of the electrode material itself, which would allow for the possibility of a better choice for contact material and for depositing an effective diffusion barrier. From our findings, we suggest that applying our electro-migration technique for purifying material is a promising new way to remove electrically active metallic impurities in TlBr crystals, as well as other materials.

  6. Formation of peptide impurities in polyester matrices during implant manufacturing.

    PubMed

    Rothen-Weinhold, A; Oudry, N; Schwach-Abdellaoui, K; Frutiger-Hughes, S; Hughes, G J; Jeannerat, D; Burger, U; Besseghir, K; Gurny, R

    2000-05-01

    Most peptides are susceptible, in vivo, to proteolytic degradation, and it is difficult to formulate and to deliver them without loss of biological activity. In addition, it is often desirable to release them continuously and at a controlled rate over a period of weeks or months. For these reasons, a controlled release system is suitable. Poly(lactic acid) (PLA) is a biocompatible and biodegradable material that can be used for many applications, including the design of injectable controlled release systems for pharmaceutical agents. Development of these delivery systems presents challenges in the assessment of stability, specially for peptide drugs. By means of an extrusion method, long-acting poly(lactic acid) implants containing vapreotide, a somatostatin analogue, were prepared. The nature of the main degradation product obtained after implant manufacturing was elucidated. It was found that the main peptide impurity was a lactoyl lactyl-vapreotide conjugate. Because lactide are found in small quantities in most commercially available PLA, the influence of residual lactide in the polymeric matrix, on the formation of peptide impurities during manufacturing, was specially investigated. This work demonstrates that the degree of purity of the carrier is of great importance with regard to the formation of peptide impurities.

  7. Existence of zero-energy impurity states in different classes of topological insulators and superconductors and their relation to topological phase transitions

    NASA Astrophysics Data System (ADS)

    Kimme, Lukas; Hyart, Timo

    2016-01-01

    We consider the effects of impurities on topological insulators and superconductors. We start by identifying the general conditions under which the eigenenergies of an arbitrary Hamiltonian H belonging to one of the Altland-Zirnbauer symmetry classes undergo a robust zero energy crossing as a function of an external parameter which can be, for example, the impurity strength. We define a generalized root of detH and use it to predict or rule out robust zero-energy crossings in all symmetry classes. We complement this result with an analysis based on almost degenerate perturbation theory, which allows a derivation of the asymptotic low-energy behavior of the ensemble averaged density of states ρ ˜Eα for all symmetry classes and makes it transparent that the exponent α does not depend on the choice of the random matrix ensemble. Finally, we show that a lattice of impurities can drive a topologically trivial system into a nontrivial phase, and in particular we demonstrate that impurity bands carrying extremely large Chern numbers can appear in different symmetry classes of two-dimensional topological insulators and superconductors. We use the generalized root of detH (k ) to reveal a spiderweblike momentum space structure of the energy gap closings that separate the topologically distinct phases in px+i py superconductors in the presence of an impurity lattice.

  8. Identification and characterization of the process-related impurities in fasudil hydrochloride by hyphenated techniques using a quality by design approach.

    PubMed

    Song, Min; Chen, Yue-Qin; Lu, Ping-Bo; Hang, Tai-Jun

    2014-04-01

    Following the underlying principles of quality by design mentioned in the ICH Q8 guidance, systematic approaches for the control of process-related impurities have been taken in the manufacturing process of fasudil hydrochloride, a potent Rho-kinase inhibitor and vasodilator. Three related impurities were found in fasudil hydrochloride lab samples by a newly developed RP-HPLC with volatile mobile phase gradient elution and UV detection method. The elemental compositions of the impurities were determined by positive ESI high-resolution TOF-MS analysis of their [M + H](+) ions and their structures were identified through the elucidation of the product mass spectra obtained by a triple quadrupole mass spectrometer. The key impurity was further verified through synthesis and organic spectroscopy including NMR and IR spectroscopy. The origins of these impurities were located and the effective approaches to eliminate them were proposed based on the redesign of the synthetic conditions. The results obtained are important for quality control in the manufacture of fasudil hydrochloride bulk drug substance and injection.

  9. Development of a stability-indicating RP-LC method for the separation of a critical pair of impurities and their degradants in zafirlukast.

    PubMed

    Thiyagarajan, Thilak Kumar; Abdul Hakeem, Jamal Abdul Nasser; Baksam, Vijayakumar

    2012-01-01

    A high-throughput reverse-phase liquid chromatographic (RP-LC) method is developed for the quantification of zafirlukast and its related impurities in drug substance. The separation of known impurities is accomplished using a short (50 mm) LC column with sub-2-µm particle size in a relatively short run-time. A linear gradient elution involves ammonium formate and acetonitrile as mobile phase. The critical impurity pair is the meta and para isomers of zafirlukast, which are known to be potential impurities of zafirlukast, whose resolution is sensitive to pH. The stability-indicating capability of the developed method is demonstrated using forced degradation samples from stress conditions such as hydrolysis, oxidation, thermal and photolytic degradation. The developed RP-LC method is validated in accordance with International Conference on Harmonization requirements. The results from the validation study indicate that this RP-LC method can be used for the determination of synthetic and degradation impurities in regular quality control analysis for the drug substance.

  10. The use of pure and impure placebo interventions in primary care - a qualitative approach

    PubMed Central

    2011-01-01

    Background Placebos play an important role in clinical trials and several surveys have shown that they are also common in daily practice. Previous research focused primarily on the frequency of placebo use in outpatient care. Our aim was to explore physicians' views on the use of placebos in daily practice, whereby distinction was made between pure placebos (substances with no pharmacological effect, e.g. sugar pills) and impure placebos (substances with pharmacological effect but not on the condition being treated, e.g. antibiotics in viral infections or vitamins). Methods We performed semi-structured interviews with a sample of twelve primary care physicians (PCPs). The interview addressed individual definitions of a placebo, attitudes towards placebos and the participants' reasons for prescribing them. The interviews were transcribed and analysed using qualitative content analysis. Results The definition of a placebo given by the majority of the PCPs in our study was one which actually only describes pure placebos. This definition, combined with the fact that most impure placebos were not regarded as placebos at all, means that most of the participating PCPs were not aware of the extent to which placebos are used in daily practice. The PCPs stated that they use placebos (both pure and impure) mainly in the case of non-severe diseases for which there was often no satisfactory somatic explanation. According to the PCPs, cases like this are often treated by complementary and alternative therapies and these, too, are associated with placebo effects. However, all PCPs felt that the ethical aspects of such treatment were unclear and they were unsure as to how to communicate the use of placebos to their patients. Most of them would appreciate ethical guidelines on how to deal with this issue. Conclusions Many PCPs seem to be unaware that some of the drugs they prescribe are classified as impure placebos. Perceptions of effectiveness and doubts about the legal and

  11. Study of the initial transient in the one-dimensional analytical models of impurity segregation during melt crystallization in the presence of convection

    NASA Astrophysics Data System (ADS)

    Voloshin, A. E.

    2013-11-01

    The well-known one-dimensional Burton-Prim-Slichter and Ostrogorsky-Müller analytical models obtained for the stationary mass transfer regime describe in a simple form the dependence of the effective impurity segregation coefficient on the ratio of the crystal growth and convective flow rates. Solutions for the initial transient regime are found in both models. It is shown that the formulas obtained make it possible to determine both the crystal growth rate and the convective mixing intensity on the basis of the analysis of impurity segregation in crystal.

  12. Silicon Materials Task of the Low Cost Solar Array Project, Phase 3. Effect of Impurities and Processing on Silicon Solar Cells

    NASA Technical Reports Server (NTRS)

    Hopkins, R. H.; Davis, J. R.; Blais, P. D.; Rohatgi, A.; Campbell, R. B.; Rai-Choudhury, P.; Stapleton, R. E.; Mollenkopf, H. C.; Mccormick, J. R.

    1979-01-01

    The effects of impurities, various thermochemical processes, and any impurity process interactions on the performance of terrestrial silicon solar cells are defined. Determinations of the segregation coefficients of tungsten, tantalum, and cobalt for the Czochralski pulling of silicon single crystals are reported. Sensitive neutron activation analysis was used to determine the metal impurity content of the silicon while atomic absorption was used to measure the metal content of the residual liquid from which the doped crystals were grown. Gettering of Ti doped silicon wafers improved cell performance by one to two percent for the highest temperatures and longest times. The HCl is more effective than POCl3 treatments for deactivating Ti but POCl3 and HCl produced essentially identical results for Mo or Fe.

  13. Coherence imaging of scrape-off-layer and divertor impurity flows in the Mega Amp Spherical Tokamak (invited)

    SciTech Connect

    Silburn, S. A. Sharples, R. M.; Harrison, J. R.; Meyer, H.; Michael, C. A.; Howard, J.; Gibson, K. J.

    2014-11-15

    A new coherence imaging Doppler spectroscopy diagnostic has been deployed on the UK’s Mega Amp Spherical Tokamak for scrape-off-layer and divertor impurity flow measurements. The system has successfully obtained 2D images of C III, C II, and He II line-of-sight flows, in both the lower divertor and main scrape-off-layer. Flow imaging has been obtained at frame rates up to 1 kHz, with flow resolution of around 1 km/s and spatial resolution better than 1 cm, over a 40° field of view. C III data have been tomographically inverted to obtain poloidal profiles of the parallel impurity flow in the divertor under various conditions. In this paper we present the details of the instrument design, operation, calibration, and data analysis as well as a selection of flow imaging results which demonstrate the diagnostic's capabilities.

  14. Evaluation of alcohol content and metal impurities in liquid dietary supplements by sHSS-GC-FID and GFAAS techniques.

    PubMed

    Mornar, Ana; Sertić, Miranda; Amidžić Klarić, Daniela; Klarić, Ilija; Stipanović, Ksenija; Nigović, Biljana

    2016-11-15

    Despite efforts by many dietary supplements' manufactures to reduce or replace ethanol, many products containing ethanol in concentrations up to 70% are available on market. Furthermore, botanical dietary supplements can vary in metal content as a function of the environment, processing equipment and product containers. Therefore, the aim of study was to develop a new rapid and highly sensitive method for simultaneous determination of ethanol and its impurities in dietary supplements by sHSS-GC-FID technique. In addition, contamination with metals by GFAAS technique was evaluated. The proposed sHSS-GC-FID method was successfully applied for analysis of 93 samples containing various amounts of ethanol. It should be highlighted that the dramatic variation from manufacture's claims was found in even one third of products. Furthermore, high amounts of ethanol were found in several products especially designed for children and in one product labeled as "alcohol-free". Metal impurities were below the limits established by USP.

  15. Aharonov-Bohm oscillations and spin-polarized transport in a mesoscopic ring with a magnetic impurity

    SciTech Connect

    Joshi, Sandeep K.; Sahoo, Debendranath; Jayannavar, A. M.

    2001-08-15

    We present a detailed analysis of Aharonov-Bohm (AB) interference oscillations manifested through transmission of an electron in a mesoscopic ring with a magnetic impurity atom inserted in one of its arms. Spin-polarized transport is also studied. The electron interacts with the impurity through exchange interaction, leading to spin-flip scattering. Transmission in the spin-flipped and -unflipped channels are explicitly calculated. We show that entanglement between electron and spin-flipper states leads to reduction of AB oscillations in spite of the absence of any inelastic scattering. The spin conductance (related to spin-polarized transmission coefficient) is asymmetric under flux reversal, as opposed to the two-probe conductance, which is symmetric. We point out certain limitations of this model in regard to the general notion of dephasing in quantum mechanics.

  16. On the accuracy of analytical models of impurity segregation during directional melt crystallization and their applicability for quantitative calculations

    NASA Astrophysics Data System (ADS)

    Voloshin, A. E.; Prostomolotov, A. I.; Verezub, N. A.

    2016-11-01

    The paper deals with the analysis of the accuracy of some one-dimensional (1D) analytical models of the axial distribution of impurities in the crystal grown from a melt. The models proposed by Burton-Prim-Slichter, Ostrogorsky-Muller and Garandet with co-authors are considered, these models are compared to the results of a two-dimensional (2D) numerical simulation. Stationary solutions as well as solutions for the initial transient regime obtained using these models are considered. The sources of errors are analyzed, a conclusion is made about the applicability of 1D analytical models for quantitative estimates of impurity incorporation into the crystal sample as well as for the solution of the inverse problems.

  17. Impurity segregation coefficient measurements in LiF-LuF3-YF3 systems doped by Nd3+

    NASA Astrophysics Data System (ADS)

    Marisov, M. A.; Koryakina, E. Yu.; Naumov, A. K.; Semashko, V. V.; Korableva, S. L.; Ivoilov, N. G.

    2010-09-01

    In present work the results of measurements of segregation coefficient of Nd3+ ions in LiLuxY1-xF4 (x=0- 1) crystals are presented. Two methods for Nd3+ ions concentration measurements in the crystals are used. The first one - X-ray fluorescence analysis (XRFA) - is used to establish the absolute concentration of impurity ions, and the second - optical absorption spectroscopy (OAS) - allows to estimate not absolute, but relative impurity concentration. By comparison of the results given by both methods the integral cross-sections of 4I9/2-2G7/2 transitions of Nd3+ ions doped in these crystals were estimated. Thus, the standard samples, allowing to establish the absolute Nd3+ ions concentration in LiLuxY 1-x F4(x=0- 1) crystals by means of OAS-method, were created.

  18. Impurity segregation coefficient measurements in LiF-LuF3-YF3 systems doped by Nd3+

    NASA Astrophysics Data System (ADS)

    Marisov, M. A.; Koryakina, E. Yu.; Naumov, A. K.; Semashko, V. V.; Korableva, S. L.; Ivoilov, N. G.

    2011-02-01

    In present work the results of measurements of segregation coefficient of Nd3+ ions in LiLuxY1-xF4 (x=0- 1) crystals are presented. Two methods for Nd3+ ions concentration measurements in the crystals are used. The first one - X-ray fluorescence analysis (XRFA) - is used to establish the absolute concentration of impurity ions, and the second - optical absorption spectroscopy (OAS) - allows to estimate not absolute, but relative impurity concentration. By comparison of the results given by both methods the integral cross-sections of 4I9/2-2G7/2 transitions of Nd3+ ions doped in these crystals were estimated. Thus, the standard samples, allowing to establish the absolute Nd3+ ions concentration in LiLuxY 1-x F4(x=0- 1) crystals by means of OAS-method, were created.

  19. Low energy impurity kink in the normal and anomalous self-energies in Bi-cuprate superconductors

    NASA Astrophysics Data System (ADS)

    Bok, Jin Mo; Bae, Jong Ju; Hong, Seung Hwan; Zhou, X. J.; Choi, Han-Yong

    2015-08-01

    The sharp low energy kink (LEK) in quasiparticle (qp) spectra well below the superconducting energy gap observed in the angle-resolved photo-emission spectroscopy (ARPES) of the Bi-cuprates may be understood in terms of the forward scattering impurities located off the Cu-O planes. The relevance of the idea has been established by comparing the calculated normal self-energy from the off-plane impurity effects and the extracted one from the self-energy analysis of Bi2Sr2CaCu2O8+δ (Bi2212) ARPES data in Hong et al. [Phys. Rev. Lett. 113, 057001 (2014)]. In addition to the explanation of the LEK, this is a necessary step to analyze ARPES data, to reveal the spectrum of fluctuations promoting superconductivity. We also present the extracted anomalous self-energy from the self-energy analysis, which is its first experimental determination as far as we are aware of. The extracted anomalous self-energy and its implications are discussed in comparison with the calculated impurity self-energy term.

  20. Competitive heterogeneous nucleation onto a microscopic impurity in a Potts model

    NASA Astrophysics Data System (ADS)

    Asuquo, Cletus C.; McArthur, Danielle; Bowles, Richard K.

    2016-08-01

    Many metastable systems can nucleate to multiple competing stable or intermediate metastable states. In this work, a Potts model, subject to external fields, is used to study the competitive nucleation of two phases attempting to grow on a microscopic impurity. Monte Carlo simulations are used to calculate the free energy surfaces for the system under different conditions, where the relative stability of the phases is adjusted by changing the interaction parameters, and the nucleation rates obtained using multicomponent transition state theory (TST) are compared with the rates measured using the survival probability method. We find that the two methods predict similar nucleation rates when the free energy barrier used in the transition state theory is defined as the work required to form a critical embryo from the metastable phase. An analysis of the free energy surfaces also reveals that the competition between the nucleating phases leads to an effective drying of the impurity which slows down the nucleation rate compared to the single phase case.