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Sample records for analysis quantitative chemical

  1. Multivariate Quantitative Chemical Analysis

    Science.gov (United States)

    Kinchen, David G.; Capezza, Mary

    1995-01-01

    Technique of multivariate quantitative chemical analysis devised for use in determining relative proportions of two components mixed and sprayed together onto object to form thermally insulating foam. Potentially adaptable to other materials, especially in process-monitoring applications in which necessary to know and control critical properties of products via quantitative chemical analyses of products. In addition to chemical composition, also used to determine such physical properties as densities and strengths.

  2. Quantitative chemical analysis of ocular melanosomes in the TEM.

    Science.gov (United States)

    Eibl, O; Schultheiss, S; Blitgen-Heinecke, P; Schraermeyer, U

    2006-01-01

    Melanosomes in retinal tissues of a human, monkey and rat were analyzed by EDX in the TEM. Samples were prepared by ultramicrotomy at different thicknesses. The material was mounted on Al grids and samples were analyzed in a Zeiss 912 TEM equipped with an Omega filter and EDX detector with ultrathin window. Melanosomes consist of C and O as main components, mole fractions are about 90 and 3-10 at.%, respectively, and small mole fraction ratios, between 2 and 0.1 at.%, of Na, Mg, K, Si, P, S, Cl, Ca. All elements were measured quantitatively by standardless EDX with high precision. Mole fractions of transition metals Fe, Cu and Zn were also measured. For Fe a mole fraction ratio of less than 0.1at.% was found and gives the melanin its paramagnetic properties. Its mole fraction is however close to or below the minimum detectable mass fraction of the used equipment. Only in the human eye and only in the retinal pigment epitelium (rpe) the mole fractions of Zn (0.1 at.% or 5000 microg/g) and Cu were clearly beyond the minimum detectable mass fraction. In the rat and monkey eye the mole fraction of Zn was at or below the minimum detectable mass fraction and could not be measured quantitatively. The obtained results yielded the chemical composition of the melanosomes in the choroidal tissue and the retinal pigment epitelium (rpe) of the three different species. The results of the chemical analysis are discussed by mole fraction correlation diagrams. Similarities and differences between the different species are outlined. Correlation behavior was found to hold over species, e.g. the Ca-O correlation. It indicates that Ca is bound to oxygen rich sites in the melanin. These are the first quantitative analyses of melanosomes by EDX reported so far. The quantitative chemical analysis should open a deeper understanding of the metabolic processes in the eye that are of central importance for the understanding of a large number of eye-related diseases. The chemical analysis also

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

    Directory of Open Access Journals (Sweden)

    Sanawar Mansur

    2016-12-01

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

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

    Science.gov (United States)

    Mansur, Sanawar; Abdulla, Rahima; Ayupbec, Amatjan; Aisa, Haji Akbar

    2016-12-21

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

  5. Laser-induced fluorescence: quantitative analysis of atherosclerotic plaque chemical content in human aorta

    Science.gov (United States)

    Dai, Erbin; Wishart, David; Khoury, Samir; Kay, Cyril M.; Jugdutt, Bodh I.; Tulip, John; Lucas, Alexandra

    1996-05-01

    We have been studying laser-induced fluorescence as a technique for identification of selected changes in the chemical composition of atherosclerotic plaque. Formulae for quantification of chemical changes have been developed based upon analysis of fluorescence emission spectra using multiple regression analysis and the principal of least squares. The intima of human aortic necropsy specimens was injected with chemical compounds present in atherosclerotic plaque. Spectra recorded after injection of selected chemical components found in plaque (collagen I, III, IV, elastin and cholesterol) at varying concentrations (0.01 - 1.0 mg) were compared with saline injection. A single fiber system was used for both fluorescence excitation (XeCl excimer laser, 308 nm, 1.5 - 2.0 mJ/ pulse, 5 Hz) and fluorescence emission detection. Average spectra for each chemical have been developed and the wavelengths of peak emission intensity identified. Curve fitting analysis as well as multiple regression analysis were used to develop formulae for assessment of chemical content. Distinctive identifying average curves were established for each chemical. Excellent correlations were identified for collagen I, III, and IV, elastin, and cholesterol (R2 equals 0.92 6- 0.997). Conclusions: (1) Fluorescence spectra of human aortas were significantly altered by collagen I, collagen III, elastin and cholesterol. (2) Fluorescence spectroscopic analysis may allow quantitative assessment of atherosclerotic plaque chemical content in situ.

  6. GC-FID coupled with chemometrics for quantitative and chemical fingerprinting analysis of Alpinia oxyphylla oil.

    Science.gov (United States)

    Miao, Qing; Kong, Weijun; Zhao, Xiangsheng; Yang, Shihai; Yang, Meihua

    2015-01-01

    Analytical methods for quantitative analysis and chemical fingerprinting of volatile oils from Alpinia oxyphylla were established. The volatile oils were prepared by hydrodistillation, and the yields were between 0.82% and 1.33%. The developed gas chromatography-flame ionization detection (GC-FID) method showed good specificity, linearity, reproducibility, stability and recovery, and could be used satisfactorily for quantitative analysis. The results showed that the volatile oils contained 2.31-77.30 μL/mL p-cymene and 12.38-99.34 mg/mL nootkatone. A GC-FID fingerprinting method was established, and the profiles were analyzed using chemometrics. GC-MS was used to identify the principal compounds in the GC-FID profiles. The profiles of almost all the samples were consistent and stable. The harvesting time and source were major factors that affected the profile, while the volatile oil yield and the nootkatone content had minor secondary effects.

  7. A Method for Quantitative Analysis of Chemical Mixtures with THz Time Domain Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zeng-Yan; JI Te; YU Xiao-Han; XIAO Ti-Qiao; XU Hong-Jie

    2006-01-01

    @@ A method for analysing chemical mixtures quantitatively with terahertz time domain spectroscopy is proposed.The experimental results demonstrate the feasibility of this technique. Transmission coefficient of THz wave at the sample surface is taken into account to improve the analytic precision. Isomer mixtures are chosen as the experimental samples. Compared to similar techniques, the analytic precision could be improved evidently in this method.

  8. Quantitative Chemical Analysis of Archaeological Slag Material Using Handheld X-ray Fluorescence Spectrometry.

    Science.gov (United States)

    Scott, Rebecca B; Eekelers, Kim; Degryse, Patrick

    2016-01-01

    Handheld X-ray fluorescence spectrometry (XRF) has seen a dramatic increase in use for archaeological projects. The attraction of the technique is its portable and nondestructive nature. In many cases, the archaeological artefacts in question cannot be destructively sampled, or the piece itself cannot be sent to an analytical laboratory. One of the current research interests associated with the Sagalassos project is the study of the Roman iron industry. Previously exported iron slag and ore from the site and the surrounding area was subjected to laboratory chemical analyses. These indicated that different ores were being utilized in the production of iron in different periods. In order to further the project the slag material still in the site depot needed to be analyzed. However, recent legislative changes mean that materials can only be analyzed on-site. Since samples could not be taken and destructive chemical analysis was no longer feasible, a portable, nondestructive technique was required. Handheld XRF can easily provide qualitative data, but these data are only comparable to other handheld XRF qualitative data, from the same device. Quantitative data gathering is possible, but can be more problematic, particularly when the material in question is heterogeneous in nature. A calibration file was created using the manufacturer's software and "in-house" standards made from the pre-quantified samples of iron slag available in the laboratory. In order to make the calibration as robust as possible, the composition of the standards was analyzed statistically to determine which of these created bias and leverage for specific elements. These standards were then omitted from the calibration for that element. The calibration was tested in the laboratory using samples of iron slag previously analyzed with wet chemistry, and the results indicated that most sample analyses showed 30% error were found in samples which contained very low or very high quantities of the

  9. Gas purge microsyringe extraction for quantitative direct gas chromatographic-mass spectrometric analysis of volatile and semivolatile chemicals.

    Science.gov (United States)

    Yang, Cui; Piao, Xiangfan; Qiu, Jinxue; Wang, Xiaoping; Ren, Chunyan; Li, Donghao

    2011-03-25

    Sample pretreatment before chromatographic analysis is the most time consuming and error prone part of analytical procedures, yet it is a key factor in the final success of the analysis. A quantitative and fast liquid phase microextraction technique termed as gas purge microsyringe extraction (GP-MSE) has been developed for simultaneous direct gas chromatography-mass spectrometry (GC-MS) analysis of volatile and semivolatile chemicals without cleanup process. Use of a gas flowing system, temperature control and a conventional microsyringe greatly increased the surface area of the liquid phase micro solvent, and led to quantitative recoveries of both volatile and semivolatile chemicals within short extraction time of only 2 min. Recoveries of polycyclic aromatic hydrocarbons (PAHs), organochlorine pesticides (OCPs) and alkylphenols (APs) determined were 85-107%, and reproducibility was between 2.8% and 8.5%. In particular, the technique shows high sensitivity for semivolatile chemicals which is difficult to achieve in other sample pretreatment techniques such as headspace-liquid phase microextraction. The variables affecting extraction efficiency such as gas flow rate, extraction time, extracting solvent type, temperature of sample and extracting solvent were investigated. Finally, the technique was evaluated to determine PAHs, APs and OCPs from plant and soil samples. The experimental results demonstrated that the technique is economic, sensitive to both volatile and semivolatile chemicals, is fast, simple to operate, and allows quantitative extraction. On-site monitoring of volatile and semivolatile chemicals is now possible using this technique due to the simplification and speed of sample treatment.

  10. Quantitative Hydrocarbon Surface Analysis

    Science.gov (United States)

    Douglas, Vonnie M.

    2000-01-01

    The elimination of ozone depleting substances, such as carbon tetrachloride, has resulted in the use of new analytical techniques for cleanliness verification and contamination sampling. The last remaining application at Rocketdyne which required a replacement technique was the quantitative analysis of hydrocarbons by infrared spectrometry. This application, which previously utilized carbon tetrachloride, was successfully modified using the SOC-400, a compact portable FTIR manufactured by Surface Optics Corporation. This instrument can quantitatively measure and identify hydrocarbons from solvent flush of hardware as well as directly analyze the surface of metallic components without the use of ozone depleting chemicals. Several sampling accessories are utilized to perform analysis for various applications.

  11. Quantitative analysis of cell surface membrane proteins using membrane-impermeable chemical probe coupled with 18O labeling

    Science.gov (United States)

    Zhang, Haizhen; Brown, Roslyn N.; Qian, Wei-Jun; Monroe, Matthew E.; Purvine, Samuel O.; Moore, Ronald J.; Gritsenko, Marina A.; Shi, Liang; Romine, Margaret F; Fredrickson, James K.; Paša-Tolić, Ljiljana; Smith, Richard D.; Lipton, Mary S.

    2010-01-01

    We report a mass spectrometry-based strategy for quantitative analysis of cell surface membrane proteome changes. The strategy includes enrichment of surface membrane proteins using a membrane-impermeable chemical probe followed by stable isotope 18O labeling and LC-MS analysis. We applied this strategy for enriching membrane proteins expressed by Shewanella oneidensis MR-1, a gram-negative bacterium with known metal-reduction capability via extracellular electron transfer between outer membrane proteins and extracellular electron receptors. LC/MS/MS analysis resulted in the identification of about 400 proteins with 79% of them being predicted to be membrane localized. Quantitative aspects of the membrane enrichment were shown by peptide level 16O and 18O labeling of proteins from wild-type and mutant cells (generated from deletion of a type II secretion protein, GspD) prior to LC-MS analysis. Using a chemical probe labeled pure protein as an internal standard for normalization, the quantitative data revealed reduced abundances in ΔgspD mutant cells of many outer membrane proteins including the outer membrane c-cype cytochromes OmcA and MtrC, in agreement with previously investigation demonstrating that these proteins are substrates of the type II secretion system. PMID:20380418

  12. Quantitative analysis of cell surface membrane proteins using membrane-impermeable chemical probe coupled with 18O labeling.

    Science.gov (United States)

    Zhang, Haizhen; Brown, Roslyn N; Qian, Wei-Jun; Monroe, Matthew E; Purvine, Samuel O; Moore, Ronald J; Gritsenko, Marina A; Shi, Liang; Romine, Margaret F; Fredrickson, James K; Pasa-Tolić, Ljiljana; Smith, Richard D; Lipton, Mary S

    2010-05-07

    We report a mass spectrometry-based strategy for quantitative analysis of cell surface membrane proteome changes. The strategy includes enrichment of surface membrane proteins using a membrane-impermeable chemical probe followed by stable isotope (18)O labeling and LC-MS analysis. We applied this strategy for enriching membrane proteins expressed by Shewanella oneidensis MR-1, a Gram-negative bacterium with known metal-reduction capability via extracellular electron transfer between outer membrane proteins and extracellular electron receptors. LC/MS/MS analysis resulted in the identification of about 400 proteins with 79% of them being predicted to be membrane localized. Quantitative aspects of the membrane enrichment were shown by peptide level (16)O and (18)O labeling of proteins from wild-type and mutant cells (generated from deletion of a type II secretion protein, GspD) prior to LC-MS analysis. Using a chemical probe labeled pure protein as an internal standard for normalization, the quantitative data revealed reduced abundances in Delta gspD mutant cells of many outer membrane proteins including the outer membrane c-type cytochromes OmcA and MtrC, in agreement with a previous report that these proteins are substrates of the type II secretion system.

  13. Chemical fingerprint and quantitative analysis for quality control of polyphenols extracted from pomegranate peel by HPLC.

    Science.gov (United States)

    Li, Jianke; He, Xiaoye; Li, Mengying; Zhao, Wei; Liu, Liu; Kong, Xianghong

    2015-06-01

    A simple and efficient HPLC fingerprint method was developed and validated for quality control of the polyphenols extracted from pomegranate peel (PPPs). Ten batches of pomegranate collected from different orchards in Shaanxi Lintong of China were used to establish the fingerprint. For the fingerprint analysis, 15 characteristic peaks were selected to evaluate the similarities of 10 batches of the PPPs. The similarities of the PPPs samples were all more than 0.968, indicating that the samples from different areas of Lintong were consistent. Additionally, simultaneous quantification of eight monophenols (including gallic acid, punicalagin, catechin, chlorogenic acid, caffeic acid, epicatechin, rutin, and ellagic acid) in the PPPs was conducted to interpret the consistency of the quality test. The results demonstrated that the HPLC fingerprint as a characteristic distinguishing method combining similarity evaluation and quantitative analysis can be successfully used to assess the quality and to identify the authenticity of the PPPs.

  14. Comprehensive Quantitative Analysis of 32 Chemical Ingredients of a Chinese Patented Drug Sanhuang Tablet

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    Hau-Yee Fung

    2017-01-01

    Full Text Available Sanhuang Tablet (SHT is a Chinese patented drug commonly used for the treatment of inflammations of the respiratory tract, gastrointestinal tract, and skin. It contains a special medicinal composition including the single compound berberine hydrochloride, extracts of Scutellariae Radix and Rhei Radix et Rhizoma, as well as the powder of Rhei Radix et Rhizoma. Despite advances in analytical techniques, quantitative evaluation of a Chinese patented drug like SHT remains a challenge due to the complexity of its chemical profile. In this study, ultra-high performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UHPLC-Q-TOF-MS was used to simultaneously quantify 29 non-sugar small molecule components of SHT (11 flavonoids, two isoflavonoids, one flavanone, five anthraquinones, two dianthranones, five alkaloids, two organic acids and one stilbene. Three major saccharide components, namely fructose, glucose, and sucrose, were also quantitatively determined using high performance liquid chromatography-charged aerosol detector (HPLC-CAD on an Asahipak NH2P-50 4E amino column. The established methods were validated in terms of linearity, sensitivity, precision, accuracy, and stability, and then successfully applied to analyze 27 batches of commercial SHT products. A total of up to 57.61% (w/w of SHT could be quantified, in which the contents of the determined non-saccharide small molecules varied from 5.91% to 16.83% (w/w and three saccharides accounted for 4.41% to 48.05% (w/w. The results showed that the quality of the commercial products was inconsistent, and only four of those met Chinese Pharmacopoeia criteria.

  15. Quantitative Chemical Analysis of Slag Ash of Novocherkassk State District Power Plant

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    Tatyana Germanovna Korotkova

    2017-02-01

    Full Text Available Quantitative chemical composition of ash and slag mix generated upon combustion of Donetsk culm is determined. It is established that ash and slag mix of Novocherkassk state district power plant (SDPP (Rostov region, Russia after coal combustion has the following composition: iron – 2.3%; mineral constituents – 75.8%; calcium oxide – 20.4%; aluminum oxide – 0.0118%; water – 1.3022%; manganese oxide – 0.18%; copper oxide – 0.0043%; plumbum – 0.0017%; it is qualified as hazard class IV for environment. Cadmium, mercury, arsenic, selenium, antimony, bismuth are contained in trace amounts < 0.1 mg/kg. In order to reduce dust emissions the cleaning stage I of gas scrubbing facility is equipped with group cyclone comprised of four cyclone units. Medium and coarse particles under the action of centrifugal force are deposited in the cyclone. This promoted decrease in dust load on bag filters, the cleaning stage II. Qualitative chemical composition of ash captured by group cyclone and that of ash captured by bag filter are determined. Cadmium, copper, plumbum, zinc, iron, manganese, and calcium are contained in coarse and fine particles captured by group cyclone and bag filter. Aluminum referred to light metals is completely captured by cyclone. The ash dust in its bulk is of dark gray color. The ash captured by cyclone contains coarse particles of black color and the ash captured bag filter contains fine particles of light colors (gray-yellow color producing silky gloss. This is characteristic for ash dust after combustion of Donetsk culm. The main component of the ash is silicon dioxide, its content in the ash captured by filter reaches 91%. These fine particles create light tone of this ash.

  16. Quantitative analysis of cell surface membrane proteins using membrane-impermeable chemical probe coupled with 18O labeling

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Haizhen; Brown, Roslyn N.; Qian, Weijun; Monroe, Matthew E.; Purvine, Samuel O.; Moore, Ronald J.; Gritsenko, Marina A.; Shi, Liang; Romine, Margaret F.; Fredrickson, Jim K.; Pasa-Tolic, Ljiljana; Smith, Richard D.; Lipton, Mary S.

    2010-05-03

    We report a mass spectrometry-based strategy for quantitative analysis of cell surface membrane proteome changes. The strategy includes enrichment of surface membrane proteins using a membrane-impermeable chemical probe followed by stable isotope 18O labeling and LC-MS analysis. We applied this strategy for enriching membrane proteins expressed by Shewanella oneidensis MR-1, a gram-negative bacterium with known metal-reduction capability via extracellular electron transfer between outer membrane proteins and environmental electron receptors. LC/MS/MS analysis resulted in the identification of about 79% membrane proteins among all proteins identified from the enriched sample. To illustrate the quantification of membrane proteome changes, enriched membrane protein samples from wild-type and mutant cells (generated from deletion of a type II secretion protein, GspD) were further labeled with 16O and 18O at the peptide level prior to LC-MS analysis. A chemical-probe-labeled pure protein has also been used as an internal standard for normalization purpose. The quantitative data revealed reduced abundances of many outer membrane proteins such as OmcA and MtrC in ΔgspD mutant cells, which agreed well with previously published studies.

  17. Quantitative real-time monitoring of chemical reactions by autosampling flow injection analysis coupled with atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Zhu, Zhenqian; Bartmess, John E; McNally, Mary Ellen; Hoffman, Ron M; Cook, Kelsey D; Song, Liguo

    2012-09-04

    Although qualitative and/or semiquantitative real-time monitoring of chemical reactions have been reported with a few mass spectrometric approaches, to our knowledge, no quantitative mass spectrometric approach has been reported so far to have a calibration valid up to molar concentrations as required by process control. This is mostly due to the absence of a practical solution that could well address the sample overloading issue. In this study, a novel autosampling flow injection analysis coupled with an atmospheric pressure chemical ionization mass spectrometry (FIA/APCI-MS) system, consisting of a 1 μL automatic internal sample injector, a postinjection splitter with 1:10 splitting ratio, and a detached APCI source connected to the mass spectrometer using a 4.5 in. long, 0.042 in. inner diameter (ID) stainless-steel capillary, was thus introduced. Using this system together with an optional FIA solvent modifier, e.g., 0.05% (v/v) isopropylamine, a linear quantitative calibration up to molar concentration has been achieved with 3.4-7.2% relative standard deviations (RSDs) for 4 replicates. As a result, quantitative real-time monitoring of a model reaction was successfully performed at the 1.63 M level. It is expected that this novel autosampling FIA/APCI-MS system can be used in quantitative real-time monitoring of a wide range of reactions under diverse reaction conditions.

  18. Quantitative data analysis of chemical contamination in the Venice lagoon. A risk management perspective

    Energy Technology Data Exchange (ETDEWEB)

    Miniero, R.; Domenico, A. di [Istituto Superiore di Sanita, Rome (Italy). Dept. Environment and Primary Prevention

    2004-09-15

    A comprehensive risk management for the contaminants present in bottom sediments of the Venice lagoon appears to be complicated by three issues: the past, present, and future influence of human pressure; the obvious sensitivity of a wetland like the lagoon; its extension. The actual situation can be viewed as typical of stressors at regional scale. The relationships between a coastal city and its environment are one of the central question addressed in Chapter 17 of Agenda 21, adopted at the United Nations Conference on Environment and Development (UNCED). In this chapter, the importance of coasts in a life-supporting system and the positive opportunity for sustainable development that coastal areas represent are stressed. However, in industrialized countries a practicable co-existence of environment and development will require mostly regulatory measures to regulate their relationships. The Venice lagoon is one of the leading shellfish production areas in Italy, harvesting several metric tons per year of the clam Tapes philippinarum and the mussel Mytilus galloprovincialis. A number of studies in recent years have characterized the chemical contamination of matrices like biota and sediment. The chemicals analyzed belong to different families including organic contaminants (such as polychlorinated dibenzodioxins (PCDDs) and dibenzofurans (PCDFs)), chlorinated pesticides, heavy metals, organometals, etc. The primary contamination sources have been clearly identified with Porto Marghera industrial settlement and the city of Venice with its canals, motorboats, and dense anthropogenic activity. The impacts of all these activities appear to be concentrated in the central basin although the industrial area be situated at the southern boundaries of the northern basin. From the studies on sediments, the following four impact types were identified in the lagoon: industrial, urban, ''not classifiable'', and lagoon background. In this paper, the PCDD

  19. Quantitative analysis of deuterium using the isotopic effect on quaternary {sup 13}C NMR chemical shifts

    Energy Technology Data Exchange (ETDEWEB)

    Darwish, Tamim A., E-mail: tamim.darwish@ansto.gov.au [National Deuteration Facility, Australian Nuclear Science and Technology Organisation, Locked Bag 21, Kirrawee DC, NSW 2232 (Australia); Yepuri, Nageshwar Rao; Holden, Peter J. [National Deuteration Facility, Australian Nuclear Science and Technology Organisation, Locked Bag 21, Kirrawee DC, NSW 2232 (Australia); James, Michael [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia)

    2016-07-13

    Quantitative analysis of specifically deuterated compounds can be achieved by a number of conventional methods, such as mass spectroscopy, or by quantifying the residual {sup 1}H NMR signals compared to signals from internal standards. However, site specific quantification using these methods becomes challenging when dealing with non-specifically or randomly deuterated compounds that are produced by metal catalyzed hydrothermal reactions in D{sub 2}O, one of the most convenient deuteration methods. In this study, deuterium-induced NMR isotope shifts of quaternary {sup 13}C resonances neighboring deuterated sites have been utilized to quantify the degree of isotope labeling of molecular sites in non-specifically deuterated molecules. By probing {sup 13}C NMR signals while decoupling both proton and deuterium nuclei, it is possible to resolve {sup 13}C resonances of the different isotopologues based on the isotopic shifts and the degree of deuteration of the carbon atoms. We demonstrate that in different isotopologues, the same quaternary carbon, neighboring partially deuterated carbon atoms, are affected to an equal extent by relaxation. Decoupling both nuclei ({sup 1}H, {sup 2}H) resolves closely separated quaternary {sup 13}C signals of the different isotopologues, and allows their accurate integration and quantification under short relaxation delays (D1 = 1 s) and hence fast accumulative spectral acquisition. We have performed a number of approaches to quantify the deuterium content at different specific sites to demonstrate a convenient and generic analysis method for use in randomly deuterated molecules, or in cases of specifically deuterated molecules where back-exchange processes may take place during work up. - Graphical abstract: The relative intensities of quaternary {sup 13}C {"1H,"2H} resonances are equal despite the different relaxation delays, allowing the relative abundance of the different deuterated isotopologues to be calculated using NMR fast

  20. Quantitative and qualitative analysis of common peaks in chemical fingerprint of Yuanhu Zhitong tablet by HPLC-DAD–MS/MS

    Directory of Open Access Journals (Sweden)

    Dao-Quan Tang

    2014-04-01

    Full Text Available A quality control (QC strategy for quantitative and qualitative analysis of “common peaks” in chemical fingerprint was proposed to analyze Yuanhu Zhitong tablet (YZT, using high performance liquid chromatography with diode array detector and tandem mass spectrometry (HPLC-DAD–MS/MS. The chromatographic separation was achieved on an Agilent Eclipse plus C18 column with a gradient elution using a mixture of 0.4‰ ammonium acetate aqueous (pH 6.0 adjusted with glacial acetic acid and acetonitrile. In chemical fingerprint, 40 peaks were assigned as the “common peaks”. For quantification of “common peaks”, the detection wavelength was set at 254 nm, 270 nm, 280 nm and 345 nm, respectively. The method was validated and good results were obtained to simultaneously determine 10 analytes (protopine, jatrorrhizine, coptisine, palmatine, berberine, xanthotoxin, bergapten, tetrahydropalmatine, imperatorin and isoimperatorin. For qualification of “common peaks”, 33 compounds including 10 quantitative analytes were identified or tentatively characterized using LC–MS/MS. These results demonstrated that the present approach may be a powerful and useful tool to tackle the complex quality issue of YZT.

  1. Quantitative and qualitative analysis of common peaks in chemical fingerprint of Yuanhu Zhitong tablet by HPLC-DAD-MS/MS

    Institute of Scientific and Technical Information of China (English)

    Dao-Quan Tang; Xiao-Xiao Zheng; Xu Chen; Dong-Zhi Yang; Qian Du

    2014-01-01

    A quality control (QC) strategy for quantitative and qualitative analysis of “common peaks” in chemical fingerprint was proposed to analyze Yuanhu Zhitong tablet (YZT), using high performance liquid chromatography with diode array detector and tandem mass spectrometry (HPLC-DAD-MS/MS). The chromatographic separation was achieved on an Agilent Eclipse plus C18 column with a gradient elution using a mixture of 0.4‰ ammonium acetate aqueous (pH 6.0 adjusted with glacial acetic acid) and acetonitrile. In chemical fingerprint, 40 peaks were assigned as the “common peaks”. For quantification of “common peaks”, the detection wavelength was set at 254 nm, 270 nm, 280 nm and 345 nm, respectively. The method was validated and good results were obtained to simultaneously determine 10 analytes (protopine, jatrorrhizine, coptisine, palmatine, berberine, xanthotoxin, bergapten, tetrahydropalmatine, imperatorin and isoimperatorin). For qualification of “common peaks”, 33 compounds including 10 quantitative analytes were identified or tentatively characterized using LC-MS/MS. These results demonstrated that the present approach may be a powerful and useful tool to tackle the complex quality issue of YZT.

  2. Quantitative chemical-structure evaluation using atom probe tomography: Short-range order analysis of Fe–Al

    Energy Technology Data Exchange (ETDEWEB)

    Marceau, R.K.W., E-mail: r.marceau@deakin.edu.au [Institute for Frontier Materials, Deakin University, Geelong, VIC 3216 (Australia); Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Straße 1, 40237 Düsseldorf (Germany); Ceguerra, A.V.; Breen, A.J. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, NSW 2006 (Australia); Raabe, D. [Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Straße 1, 40237 Düsseldorf (Germany); Ringer, S.P. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, NSW 2006 (Australia)

    2015-10-15

    Short-range-order (SRO) has been quantitatively evaluated in an Fe–18Al (at%) alloy using atom probe tomography (APT) data and by calculation of the generalised multicomponent short-range order (GM-SRO) parameters, which have been determined by shell-based analysis of the three-dimensional atomic positions. The accuracy of this method with respect to limited detector efficiency and spatial resolution is tested against simulated D0{sub 3} ordered data. Whilst there is minimal adverse effect from limited atom probe instrument detector efficiency, the combination of this with imperfect spatial resolution has the effect of making the data appear more randomised. The value of lattice rectification of the experimental APT data prior to GM-SRO analysis is demonstrated through improved information sensitivity. - Highlights: • Short-range-order (SRO) is quantitatively evaluated using atom probe tomography data. • Chemical species-specific SRO parameters have been calculated. • The accuracy of this method is tested against simulated D0{sub 3} ordered data. • Imperfect spatial resolution combined with finite detector efficiency causes a randomising effect. • Lattice rectification of the data prior to GM-SRO analysis is demonstrated to improve information sensitivity.

  3. Quantitative Techniques in Volumetric Analysis

    Science.gov (United States)

    Zimmerman, John; Jacobsen, Jerrold J.

    1996-12-01

    Quantitative Techniques in Volumetric Analysis is a visual library of techniques used in making volumetric measurements. This 40-minute VHS videotape is designed as a resource for introducing students to proper volumetric methods and procedures. The entire tape, or relevant segments of the tape, can also be used to review procedures used in subsequent experiments that rely on the traditional art of quantitative analysis laboratory practice. The techniques included are: Quantitative transfer of a solid with a weighing spoon Quantitative transfer of a solid with a finger held weighing bottle Quantitative transfer of a solid with a paper strap held bottle Quantitative transfer of a solid with a spatula Examples of common quantitative weighing errors Quantitative transfer of a solid from dish to beaker to volumetric flask Quantitative transfer of a solid from dish to volumetric flask Volumetric transfer pipet A complete acid-base titration Hand technique variations The conventional view of contemporary quantitative chemical measurement tends to focus on instrumental systems, computers, and robotics. In this view, the analyst is relegated to placing standards and samples on a tray. A robotic arm delivers a sample to the analysis center, while a computer controls the analysis conditions and records the results. In spite of this, it is rare to find an analysis process that does not rely on some aspect of more traditional quantitative analysis techniques, such as careful dilution to the mark of a volumetric flask. Figure 2. Transfer of a solid with a spatula. Clearly, errors in a classical step will affect the quality of the final analysis. Because of this, it is still important for students to master the key elements of the traditional art of quantitative chemical analysis laboratory practice. Some aspects of chemical analysis, like careful rinsing to insure quantitative transfer, are often an automated part of an instrumental process that must be understood by the

  4. Quantitative Analysis of Chemically Modified Starches by 1H-NMR Spectroscopy

    NARCIS (Netherlands)

    Graaf, R.A. de; Lammers, G.; Janssen, L.P.B.M.; Beenackers, A.A.C.M.

    1995-01-01

    A quantitative 1H-NMR method for the determination of the Molar Substitution (MS) of acetylated and hydroxypropylated starches was developed and tested for MS ranging from 0.09 to 0.5. Results were checked using the Johnson method and a titration method for hydroxypropylated and acetylated starch, r

  5. Quantitative analysis of chemically modified starches by H-1-NMR spectroscopy

    NARCIS (Netherlands)

    de Graaf, R.A.; Lammers, G; Janssen, L.P.B.M.; Beenackers, A.A C M

    1995-01-01

    A quantitative H-1-NMR method for the determination of the Molar Substitution (MS) of acetylated and hydroxypropylated starches was developed and tested for MS ranging from 0.09 to 0.5. Results were checked using the Johnson method and a titration method for hydroxypropylated and acetylated starch,

  6. Chemical fingerprinting and quantitative analysis of a Panax notoginseng preparation using HPLC-UV and HPLC-MS

    Directory of Open Access Journals (Sweden)

    Shao Qing

    2011-02-01

    Full Text Available Abstract Background Xuesaitong (XST injection, consisting of total saponins from Panax notoginseng, was widely used for the treatment of cardio- and cerebro-vascular diseases in China. This study develops a simple and global quality evaluation method for the quality control of XST. Methods High performance liquid chromatography-ultraviolet detection (HPLC-UV was used to identify and quantify the chromatographic fingerprints of the XST injection. Characteristic common peaks were identified using HPLC with photo diode array detection/electrospray ionization tandem mass spectrometry (HPLC-PDA/ESI-MSn. Results Representative fingerprints from ten batches of samples showed 27 'common saponins' all of which were identified and quantified using ten reference saponins. Conclusion Chemical fingerprinting and quantitative analysis identified most of the common saponins for the quality control of P. notoginseng products such as the XST injection.

  7. Accurate radiation temperature and chemical potential from quantitative photoluminescence analysis of hot carrier populations

    Science.gov (United States)

    Gibelli, François; Lombez, Laurent; Guillemoles, Jean-François

    2017-02-01

    In order to characterize hot carrier populations in semiconductors, photoluminescence measurement is a convenient tool, enabling us to probe the carrier thermodynamical properties in a contactless way. However, the analysis of the photoluminescence spectra is based on some assumptions which will be discussed in this work. We especially emphasize the importance of the variation of the material absorptivity that should be considered to access accurate thermodynamical properties of the carriers, especially by varying the excitation power. The proposed method enables us to obtain more accurate results of thermodynamical properties by taking into account a rigorous physical description and finds direct application in investigating hot carrier solar cells, which are an adequate concept for achieving high conversion efficiencies with a relatively simple device architecture.

  8. Quantitative and chemical fingerprint analysis for the quality evaluation of Isatis indigotica based on ultra-performance liquid chromatography with photodiode array detector combined with chemometric methods.

    Science.gov (United States)

    Shi, Yan-Hong; Xie, Zhi-Yong; Wang, Rui; Huang, Shan-Jun; Li, Yi-Ming; Wang, Zheng-Tao

    2012-01-01

    A simple and reliable method of ultra-performance liquid chromatography with photodiode array detector (UPLC-PDA) was developed to control the quality of Radix Isatidis (dried root of Isatis indigotica) for chemical fingerprint analysis and quantitative analysis of eight bioactive constituents, including R,S-goitrin, progoitrin, epiprogoitrin, gluconapin, adenosine, uridine, guanosine, and hypoxanthine. In quantitative analysis, the eight components showed good regression (R > 0.9997) within test ranges, and the recovery method ranged from 99.5% to 103.0%. The UPLC fingerprints of the Radix Isatidis samples were compared by performing chemometric procedures, including similarity analysis, hierarchical clustering analysis, and principal component analysis. The chemometric procedures classified Radix Isatidis and its finished products such that all samples could be successfully grouped according to crude herbs, prepared slices, and adulterant Baphicacanthis cusiae Rhizoma et Radix. The combination of quantitative and chromatographic fingerprint analysis can be used for the quality assessment of Radix Isatidis and its finished products.

  9. Quantitative analysis of the relative mutagenicity of five chemical constituents of tobacco smoke in the mouse lymphoma assay.

    Science.gov (United States)

    Guo, Xiaoqing; Heflich, Robert H; Dial, Stacey L; Richter, Patricia A; Moore, Martha M; Mei, Nan

    2016-05-01

    Quantifying health-related biological effects, like genotoxicity, could provide a way of distinguishing between tobacco products. In order to develop tools for using genotoxicty data to quantitatively evaluate the risk of tobacco products, we tested five carcinogens found in cigarette smoke, 4-aminobiphenyl (4-ABP), benzo[a]pyrene (BaP), cadmium (in the form of CdCl2), 2-amino-3,4-dimethyl-3H-imidazo[4,5-f]quinoline (MeIQ) and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), in the mouse lymphoma assay (MLA). The resulting mutagenicity dose responses were analyzed by various quantitative approaches and their strengths and weaknesses for distinguishing responses in the MLA were evaluated. L5178Y/Tk (+/-) 3.7.2C mouse lymphoma cells were treated with four to seven concentrations of each chemical for 4h. Only CdCl2 produced a positive response without metabolic activation (S9); all five chemicals produced dose-dependent increases in cytotoxicity and mutagenicity with S9. The lowest dose exceeding the global evaluation factor, the benchmark dose producing a 10%, 50%, 100% or 200% increase in the background frequency (BMD10, BMD50, BMD100 and BMD200), the no observed genotoxic effect level (NOGEL), the lowest observed genotoxic effect level (LOGEL) and the mutagenic potency expressed as a mutant frequency per micromole of chemical, were calculated for all the positive responses. All the quantitative metrics had similar rank orders for the agents' ability to induce mutation, from the most to least potent as CdCl2(-S9) > BaP(+S9) > CdCl2(+S9) > MeIQ(+S9) > 4-ABP(+S9) > NNK(+S9). However, the metric values for the different chemical responses (i.e. the ratio of the greatest value to the least value) for the different chemicals ranged from 16-fold (BMD10) to 572-fold (mutagenic potency). These results suggest that data from the MLA are capable of discriminating the mutagenicity of various constituents of cigarette smoke, and that quantitative analyses are available

  10. Quantitative and Chemical Fingerprint Analysis for the Quality Evaluation of Receptaculum Nelumbinis by RP-HPLC Coupled with Hierarchical Clustering Analysis

    Directory of Open Access Journals (Sweden)

    Jin-Zhong Wu

    2013-01-01

    Full Text Available A simple and reliable method of high-performance liquid chromatography with photodiode array detection (HPLC-DAD was developed to evaluate the quality of Receptaculum Nelumbinis (dried receptacle of Nelumbo nucifera through establishing chromatographic fingerprint and simultaneous determination of five flavonol glycosides, including hyperoside, isoquercitrin, quercetin-3-O-β-d-glucuronide, isorhamnetin-3-O-β-d-galactoside and syringetin-3-O-β-d-glucoside. In quantitative analysis, the five components showed good regression (R > 0.9998 within linear ranges, and their recoveries were in the range of 98.31%–100.32%. In the chromatographic fingerprint, twelve peaks were selected as the characteristic peaks to assess the similarities of different samples collected from different origins in China according to the State Food and Drug Administration (SFDA requirements. Furthermore, hierarchical cluster analysis (HCA was also applied to evaluate the variation of chemical components among different sources of Receptaculum Nelumbinis in China. This study indicated that the combination of quantitative and chromatographic fingerprint analysis can be readily utilized as a quality control method for Receptaculum Nelumbinis and its related traditional Chinese medicinal preparations.

  11. Label-free imaging and quantitative chemical analysis of Alzheimer's disease brain samples with multimodal multiphoton nonlinear optical microspectroscopy

    Science.gov (United States)

    Lee, Jang Hyuk; Kim, Dae Hwan; Song, Woo Keun; Oh, Myoung-Kyu; Ko, Do-Kyeong

    2015-05-01

    We developed multimodal multiphoton microspectroscopy using a small-diameter probe with gradient-index lenses and applied it to unstained Alzheimer's disease (AD) brain samples. Our system maintained the image quality and spatial resolution of images obtained using an objective lens of similar numerical aperture. Multicolor images of AD brain samples were obtained simultaneously by integrating two-photon excited fluorescence and second-harmonic generation on a coherent anti-Stokes Raman scattering (CARS) microendoscope platform. Measurements of two hippocampal regions, the cornus ammonis-1 and dentate gyrus, revealed more lipids, amyloid fibers, and collagen in the AD samples than in the normal samples. Normal and AD brains were clearly distinguished by a large spectral difference and quantitative analysis of the CH mode using CARS microendoscope spectroscopy. We expect this system to be an important diagnosis tool in AD research.

  12. Quantitative Chemical Indices of Weathered Igneous Rocks

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A study was conducted to compare the effectiveness of different weathering indices for characterising weathered igneous rocks of Hong Kong. Among eight chemical indices evaluated in this study, the Parker index has been found most suitable for a quantitative description of state of weathering. Based on geochemical results of 174 samples, the index decreases almost linearly with an increasing extent of weathering. The results enable a better understanding of the modification of geotechnical properties of igneous rocks associated with weathering processes.

  13. Aroma characterization of chinese rice wine by gas chromatography-olfactometry, chemical quantitative analysis, and aroma reconstitution.

    Science.gov (United States)

    Chen, Shuang; Xu, Yan; Qian, Michael C

    2013-11-27

    The aroma profile of Chinese rice wine was investigated in this study. The volatile compounds in a traditional Chinese rice wine were extracted using Lichrolut EN and further separated by silica gel normal phase chromatography. Seventy-three aroma-active compounds were identified by gas chromatography-olfactometry (GC-O) and gas chromatography-mass spectrometry (GC-MS). In addition to acids, esters, and alcohols, benzaldehyde, vanillin, geosmin, and γ-nonalactone were identified to be potentially important to Chinse rice wine. The concentration of these aroma-active compounds in the Chinese rice wine was further quantitated by combination of four different methods, including headsapce-gas chromatography, solid phase microextraction-gas chromatography (SPME)-GC-MS, solid-phase extraction-GC-MS, and SPME-GC-pulsed flame photometric detection (PFPD). Quantitative results showed that 34 aroma compounds were at concentrations higher than their corresponding odor thresholds. On the basis of the odor activity values (OAVs), vanillin, dimethyl trisulfide, β-phenylethyl alcohol, guaiacol, geosmin, and benzaldehyde could be responsible for the unique aroma of Chinese rice wine. An aroma reconstitution model prepared by mixing 34 aroma compounds with OAVs > 1 in an odorless Chinese rice wine matrix showed a good similarity to the aroma of the original Chinese rice wine.

  14. Chemical Security Analysis Center

    Data.gov (United States)

    Federal Laboratory Consortium — In 2006, by Presidential Directive, DHS established the Chemical Security Analysis Center (CSAC) to identify and assess chemical threats and vulnerabilities in the...

  15. Quantitative analysis of methadone in biological fluids using deuterium-labeled methadone and GLC-chemical-ionization mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hackey, D.L. (Argonne National Lab., IL); Kreek, M.J.; Mattson, D.H.

    1977-11-01

    The (+)-, (-)-, and (+-)-/sup 2/H/sub 5/-methadones, which contained five deuterium atoms in one aromatic ring, were synthesized for use in clinical pharmacological studies and as internal standards. GLC--chemical-ionization mass spectrometry was used to determine plasma and urinary methadone levels by an inverse isotope dilution assay. Plasma drug levels could be determined to 10 pmoles/ml, and urine levels could be measured to 5 pmoles/ml. Plasma methadone levels were examined in several patients undergoing methadone maintenance therapy. These levels generally ranged between 100 and 400 ng/ml (320 to 1300 pmoles/ml) after an average oral dose of 1 mg/kg/day. The methadone half-life was 28.8 +- 4.8 hr.

  16. Qualitative and quantitative analysis of chemical constituents of Centipeda minima by HPLC-QTOF-MS & HPLC-DAD.

    Science.gov (United States)

    Chan, Chi-On; Jin, Deng-Ping; Dong, Nai-Ping; Chen, Si-Bao; Mok, Daniel Kam Wah

    2016-06-01

    A high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC-QTOF-MS) method in both positive and negative ion modes was established to investigate the major constituents in the ethanolic extract of Centipeda minima (EBSC). Twelve common components including flavones and their glycosides, phenolic and polyphenolic acids, and sesquiterpene lactone were identified in ten batches of samples based on comparison with the retention time and accurate mass of external standards (mass accuracy within 3ppm) or the fragmentation patterns of tandem MS. Meanwhile, a simple, accurate and reliable HPLC-DAD method was also developed to determine the content of 10 chemical markers simultaneously. Results obtained from method validations including linearity, accuracy and precision showed that this new method is reliable and robust. Isochlorogenic acid A and brevilin A were found to be the most abundant in the ethanol extract of EBSC and could be served as markers for quality control of EBSC.

  17. Quantitative visualization of the chemical reacting JET

    Energy Technology Data Exchange (ETDEWEB)

    Okamoto, K.; Arata, Y.; Sasaki, T.; Madarame, H. [Nuclear Engineering Research Laboratory, Tokyo Univ., Tokai, Ibaraki (Japan)

    2000-10-01

    The sodium-water reaction should be precisely evaluated for the safety analysis of the sodium-cooled nuclear power plant. To evaluate these chemical reacting jet, the characteristics of the reaction and the mole fraction distributions of the reacting material should be known. In this study, to evaluate the basic characteristics, two fluid jet and chemical reacting jet was measured by the PIV and DELIF. The new dye pair for the dual emission LIF technique was proposed to measure the pH distribution. The Quinine for pH sensitive dye with blue emission and Rhodamine 6G for non-sensitive dye with orange emission, were excited by the third harmonic of Nd:YAG laser (355nm). The high accurate measurement could be achieved for the range of pH 4.0 to 5.5. The ammonia jet into acetic acid was measured using the proposed dye. The effectiveness of the present method was demonstrated. (author)

  18. Chemical Analysis Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: Uses state-of-the-art instrumentation for qualitative and quantitative analysis of organic and inorganic compounds, and biomolecules from gas, liquid, and...

  19. Quantitative Risk Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Helms, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-02-10

    The US energy sector is vulnerable to multiple hazards including both natural disasters and malicious attacks from an intelligent adversary. The question that utility owners, operators and regulators face is how to prioritize their investments to mitigate the risks from a hazard that can have the most impact on the asset of interest. In order to be able to understand their risk landscape and develop a prioritized mitigation strategy, they must quantify risk in a consistent way across all hazards their asset is facing. Without being able to quantitatively measure risk, it is not possible to defensibly prioritize security investments or evaluate trade-offs between security and functionality. Development of a methodology that will consistently measure and quantify risk across different hazards is needed.

  20. Monotowns: A Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Shastitko Andrei

    2016-06-01

    Full Text Available The authors propose an empirical analysis of the current situation in monotowns. The study questions the perceived seriousness of the ‘monotown problem’ as well as the actual challenges it presents. The authors use a cluster analysis to divide monotowns into groups for further structural comparison. The structural differences in the available databases limit the possibilities of empirical analysis. Hence, alternative approaches are required. The authors consider possible reasons for the limitations identified. Special attention is paid to the monotowns that were granted the status of advanced development territories. A comparative analysis makes it possible to study their general characteristics and socioeconomic indicators. The authors apply the theory of opportunistic behaviour to describe potential problems caused by the lack of unified criteria for granting monotowns the status of advanced development territories. The article identifies the main stakeholders and the character of their interaction; it desc ribes a conceptual model built on the principal/agent interactions, and identifies the parametric space of mutually beneficial cooperation. The solution to the principal/agent problem suggested in the article contributes to the development of an alternative approach to the current situation and a rational approach to overcoming the ‘monotown problem’.

  1. Quantitative analysis of surface amine groups on plasma-polymerized ethylenediamine films using UV-visible spectroscopy compared to chemical derivatization with FT-IR spectroscopy, XPS and TOF-SIMS

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jinmo [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Jung, Donggeun [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Park, Yongsup [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Kim, Yongki [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Moon, Dae Won [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Lee, Tae Geol [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of)]. E-mail: tglee@kriss.re.kr

    2007-02-28

    A quantitative analysis of the surface density of amine groups on a plasma-polymerized ethylenediamine thin film deposited on a platinum surface using inductively coupled plasma chemical vapor deposition method is described. UV-visible spectroscopy together with a chemical derivatization technique using Fourier transform infrared (FT-IR) spectroscopy was used to obtain the quantitative information. Chemical tags of pentafluorobenzaldehyde were hybridized with the surface amine groups and were easily detected due to the characteristic absorption bands of C-F stretching, aromatic ring and C=N stretching vibrations in the reflection-absorption FT-IR spectra. The surface amine density was reproducibly controlled as a function of deposition plasma power and quantified using UV-visible spectroscopy. A good linear correlation was observed between the FT-IR intensities of the characteristic absorption bands and the surface amine densities, suggesting the possibility of using this chemical derivatization technique to quantify the surface densities of specific functional groups on an organic surface. Chemical derivatization was also used with X-ray photoelectron spectroscopy on the same samples, and the results were compared with those obtained from FT-IR and time-of-flight secondary ion mass spectrometry. Although each analysis technique has different probing depths from the surface, the three different data sets obtained from the chemical tags correlated well with each other since each analysis technique measured the chemical tags on the sample surface.

  2. Quantitative analysis of glycated proteins.

    Science.gov (United States)

    Priego-Capote, Feliciano; Ramírez-Boo, María; Finamore, Francesco; Gluck, Florent; Sanchez, Jean-Charles

    2014-02-07

    The proposed protocol presents a comprehensive approach for large-scale qualitative and quantitative analysis of glycated proteins (GP) in complex biological samples including biological fluids and cell lysates such as plasma and red blood cells. The method, named glycation isotopic labeling (GIL), is based on the differential labeling of proteins with isotopic [(13)C6]-glucose, which supports quantitation of the resulting glycated peptides after enzymatic digestion with endoproteinase Glu-C. The key principle of the GIL approach is the detection of doublet signals for each glycated peptide in MS precursor scanning (glycated peptide with in vivo [(12)C6]- and in vitro [(13)C6]-glucose). The mass shift of the doublet signals is +6, +3 or +2 Da depending on the peptide charge state and the number of glycation sites. The intensity ratio between doublet signals generates quantitative information of glycated proteins that can be related to the glycemic state of the studied samples. Tandem mass spectrometry with high-energy collisional dissociation (HCD-MS2) and data-dependent methods with collision-induced dissociation (CID-MS3 neutral loss scan) are used for qualitative analysis.

  3. Quantitative and Chemical Fingerprint Analysis for the Quality Evaluation of Isatis indigotica based on Ultra-Performance Liquid Chromatography with Photodiode Array Detector Combined with Chemometric Methods

    Directory of Open Access Journals (Sweden)

    Zheng-Tao Wang

    2012-07-01

    Full Text Available A simple and reliable method of ultra-performance liquid chromatography with photodiode array detector (UPLC-PDA was developed to control the quality of Radix Isatidis (dried root of Isatis indigotica for chemical fingerprint analysis and quantitative analysis of eight bioactive constituents, including R,S-goitrin, progoitrin, epiprogoitrin, gluconapin, adenosine, uridine, guanosine, and hypoxanthine. In quantitative analysis, the eight components showed good regression (R > 0.9997 within test ranges, and the recovery method ranged from 99.5% to 103.0%. The UPLC fingerprints of the Radix Isatidis samples were compared by performing chemometric procedures, including similarity analysis, hierarchical clustering analysis, and principal component analysis. The chemometric procedures classified Radix Isatidis and its finished products such that all samples could be successfully grouped according to crude herbs, prepared slices, and adulterant Baphicacanthis cusiae Rhizoma et Radix. The combination of quantitative and chromatographic fingerprint analysis can be used for the quality assessment of Radix Isatidis and its finished products.

  4. Quantitative Infrared Spectra of Vapor Phase Chemical Agents

    Energy Technology Data Exchange (ETDEWEB)

    Sharpe, Steven W.; Johnson, Timothy J.; Chu, P M.; Kleimeyer, J; Rowland, Brad; Gardner, Patrick J.

    2003-04-21

    Quantitative high resolution (0.1 cm -1) infrared spectra have been acquired for a number of pressure broadened (101.3 KPa N2), vapor phase chemicals including: Sarin (GB), Soman (GD), Tabun (GA), Cyclosarin (GF), VX, nitrogen mustard (HN3), sulfur mustard (HD) and Lewisite (L).

  5. Submarine Pipeline Routing Risk Quantitative Analysis

    Institute of Scientific and Technical Information of China (English)

    徐慧; 于莉; 胡云昌; 王金英

    2004-01-01

    A new method for submarine pipeline routing risk quantitative analysis was provided, and the study was developed from qualitative analysis to quantitative analysis.The characteristics of the potential risk of the submarine pipeline system were considered, and grey-mode identification theory was used. The study process was composed of three parts: establishing the indexes system of routing risk quantitative analysis, establishing the model of grey-mode identification for routing risk quantitative analysis, and establishing the standard of mode identification result. It is shown that this model can directly and concisely reflect the hazard degree of the routing through computing example, and prepares the routing selection for the future.

  6. Quantitative genetic activity graphical profiles for use in chemical evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Waters, M.D. [Environmental Protection Agency, Washington, DC (United States); Stack, H.F.; Garrett, N.E.; Jackson, M.A. [Environmental Health Research and Testing, Inc., Research Triangle Park, NC (United States)

    1990-12-31

    A graphic approach, terms a Genetic Activity Profile (GAP), was developed to display a matrix of data on the genetic and related effects of selected chemical agents. The profiles provide a visual overview of the quantitative (doses) and qualitative (test results) data for each chemical. Either the lowest effective dose or highest ineffective dose is recorded for each agent and bioassay. Up to 200 different test systems are represented across the GAP. Bioassay systems are organized according to the phylogeny of the test organisms and the end points of genetic activity. The methodology for producing and evaluating genetic activity profile was developed in collaboration with the International Agency for Research on Cancer (IARC). Data on individual chemicals were compiles by IARC and by the US Environmental Protection Agency (EPA). Data are available on 343 compounds selected from volumes 1-53 of the IARC Monographs and on 115 compounds identified as Superfund Priority Substances. Software to display the GAPs on an IBM-compatible personal computer is available from the authors. Structurally similar compounds frequently display qualitatively and quantitatively similar profiles of genetic activity. Through examination of the patterns of GAPs of pairs and groups of chemicals, it is possible to make more informed decisions regarding the selection of test batteries to be used in evaluation of chemical analogs. GAPs provided useful data for development of weight-of-evidence hazard ranking schemes. Also, some knowledge of the potential genetic activity of complex environmental mixtures may be gained from an assessment of the genetic activity profiles of component chemicals. The fundamental techniques and computer programs devised for the GAP database may be used to develop similar databases in other disciplines. 36 refs., 2 figs.

  7. Simplified quantification of labile proton concentration-weighted chemical exchange rate (k(ws) ) with RF saturation time dependent ratiometric analysis (QUESTRA): normalization of relaxation and RF irradiation spillover effects for improved quantitative chemical exchange saturation transfer (CEST) MRI.

    Science.gov (United States)

    Sun, Phillip Zhe

    2012-04-01

    Chemical exchange saturation transfer MRI is an emerging imaging technique capable of detecting dilute proteins/peptides and microenvironmental properties, with promising in vivo applications. However, chemical exchange saturation transfer MRI contrast is complex, varying not only with the labile proton concentration and exchange rate, but also with experimental conditions such as field strength and radiofrequency (RF) irradiation scheme. Furthermore, the optimal RF irradiation power depends on the exchange rate, which must be estimated in order to optimize the chemical exchange saturation transfer MRI experiments. Although methods including numerical fitting with modified Bloch-McConnell equations, quantification of exchange rate with RF saturation time and power (QUEST and QUESP), have been proposed to address this relationship, they require multiple-parameter non-linear fitting and accurate relaxation measurement. Our work extended the QUEST algorithm with ratiometric analysis (QUESTRA) that normalizes the magnetization transfer ratio at labile and reference frequencies, which effectively eliminates the confounding relaxation and RF spillover effects. Specifically, the QUESTRA contrast approaches its steady state mono-exponentially at a rate determined by the reverse exchange rate (k(ws) ), with little dependence on bulk water T(1) , T(2) , RF power and chemical shift. The proposed algorithm was confirmed numerically, and validated experimentally using a tissue-like phantom of serially titrated pH compartments.

  8. Quantitative Infrared Spectra of Vapor Phase Chemical Agents

    Energy Technology Data Exchange (ETDEWEB)

    Sharpe, Steven W.; Johnson, Timothy J.; Chu, P. M.; Kleimeyer, J.; Rowland, Brad

    2003-08-01

    Quantitative, moderately high resolution (0.1 cm-1) infrared spectra have been acquired for a number of nitrogen broadened (1 atm N2) vapor phase chemicals including: Sarin (GB), Soman (GD), Tabun (GA), Cyclosarin (GF), VX, Nitrogen Mustard (HN3), Sulfur Mustard (HD), and Lewisite (L). The spectra are acquired using a heated, flow-through White Cell1 of 5.6 meter optical path length. Each reported spectrum represents a statistical fit to Beer’s law, which allows for a rigorous calculation of uncertainty in the absorption coefficients. As part of an ongoing collaboration with the National Institute of Standards and Technology (NIST), cross-laboratory validation is a critical aspect of this work. In order to identify possible errors in the Dugway flow-through system, quantitative spectra of isopropyl alcohol from both NIST and Pacific Northwest National Laboratory (PNNL) are compared to similar data taken at Dugway proving Grounds (DPG).

  9. Quantitative analysis of saccadic search strategy

    NARCIS (Netherlands)

    Over, E.A.B.

    2007-01-01

    This thesis deals with the quantitative analysis of saccadic search strategy. The goal of the research presented was twofold: 1) to quantify overall characteristics of fixation location and saccade direction, and 2) to identify search strategies, with the use of a quantitative description of eye mov

  10. Influence of physico-chemical material characteristics on staphylococcal biofilm formation – A qualitative and quantitative in vitro analysis of five different calcium phosphate bone grafts

    Directory of Open Access Journals (Sweden)

    M Clauss

    2014-07-01

    Full Text Available Various compositions of synthetic calcium phosphates (CaP have been proposed and their use has considerably increased over the past decades. Besides differences in physico-chemical properties, resorption and osseointegration, artificial CaP bone graft might differ in their resistance against biofilm formation. We investigated standardised cylinders of 5 different CaP bone grafts (cyclOS, chronOS (both β-TCP (tricalcium phosphate, dicalcium phosphate (DCP, calcium-deficient hydroxyapatite (CDHA and α-TCP. Various physico-chemical characterisations e.g., geometrical density, porosity, and specific surface area were investigated. Biofilm formation was carried out in tryptic soy broth (TSB and human serum (SE using Staphylococcus aureus (ATCC 29213 and S. epidermidis RP62A (ATCC 35984. The amount of biofilm was analysed by an established protocol using sonication and microcalorimetry. Physico-chemical characterisation showed marked differences concerning macro- and micropore size, specific surface area and porosity accessible to bacteria between the 5 scaffolds. Biofilm formation was found on all scaffolds and was comparable for α-TCP, chronOS, CDHA and DCP at corresponding time points when the scaffolds were incubated with the same germ and/or growth media, but much lower for cyclOS. This is peculiar because cyclOS had an intermediate porosity, mean pore size, specific surface area, and porosity accessible to bacteria. Our results suggest that biofilm formation is not influenced by a single physico-chemical parameter alone but is a multi-step process influenced by several factors in parallel. Transfer from in vitro data to clinical situations is difficult; thus, advocating the use of cyclOS scaffolds over the four other CaP bone grafts in clinical situations with a high risk of infection cannot be clearly supported based on our data.

  11. Influence of physico-chemical material characteristics on staphylococcal biofilm formation--a qualitative and quantitative in vitro analysis of five different calcium phosphate bone grafts.

    Science.gov (United States)

    Clauss, M; Furustrand Tafin, U; Betrisey, B; van Garderen, N; Trampuz, A; Ilchmann, T; Bohner, M

    2014-07-18

    Various compositions of synthetic calcium phosphates (CaP) have been proposed and their use has considerably increased over the past decades. Besides differences in physico-chemical properties, resorption and osseointegration, artificial CaP bone graft might differ in their resistance against biofilm formation. We investigated standardised cylinders of 5 different CaP bone grafts (cyclOS, chronOS (both β-TCP (tricalcium phosphate)), dicalcium phosphate (DCP), calcium-deficient hydroxyapatite (CDHA) and α-TCP). Various physico-chemical characterisations e.g., geometrical density, porosity, and specific surface area were investigated. Biofilm formation was carried out in tryptic soy broth (TSB) and human serum (SE) using Staphylococcus aureus (ATCC 29213) and S. epidermidis RP62A (ATCC 35984). The amount of biofilm was analysed by an established protocol using sonication and microcalorimetry. Physico-chemical characterisation showed marked differences concerning macro- and micropore size, specific surface area and porosity accessible to bacteria between the 5 scaffolds. Biofilm formation was found on all scaffolds and was comparable for α-TCP, chronOS, CDHA and DCP at corresponding time points when the scaffolds were incubated with the same germ and/or growth media, but much lower for cyclOS. This is peculiar because cyclOS had an intermediate porosity, mean pore size, specific surface area, and porosity accessible to bacteria. Our results suggest that biofilm formation is not influenced by a single physico-chemical parameter alone but is a multi-step process influenced by several factors in parallel. Transfer from in vitro data to clinical situations is difficult; thus, advocating the use of cyclOS scaffolds over the four other CaP bone grafts in clinical situations with a high risk of infection cannot be clearly supported based on our data.

  12. Raman scattering quantitative analysis of the anion chemical composition in kesterite Cu{sub 2}ZnSn(S{sub x}Se{sub 1−x}){sub 4} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Dimitrievska, Mirjana, E-mail: mdimitrievska@irec.cat [Catalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1 2pl., 08930 Sant Adrià del Besòs, Barcelona (Spain); Gurieva, Galina [Helmholtz Centre Berlin for Materials and Energy, Department Crystallography, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Xie, Haibing; Carrete, Alex [Catalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1 2pl., 08930 Sant Adrià del Besòs, Barcelona (Spain); Cabot, Andreu [Catalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1 2pl., 08930 Sant Adrià del Besòs, Barcelona (Spain); Institució Catalana de Recerca i Estudis Avançats – ICREA, Passeig Lluís Companys 23, 08010 Barcelona (Spain); Saucedo, Edgardo [Catalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1 2pl., 08930 Sant Adrià del Besòs, Barcelona (Spain); Pérez-Rodríguez, Alejandro [Catalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1 2pl., 08930 Sant Adrià del Besòs, Barcelona (Spain); IN" 2UB, Departament d’Electrònica, Universitat de Barcelona, C. Martí i Franquès 1, 08028 Barcelona (Spain); and others

    2015-04-15

    Highlights: • An optical method for the quantitative measurement of [S]/([S] + [Se]) in CZTSSe is presented. • It is based on Raman spectroscopy and covers whole S–Se range of compositions. • The proposed method is independent of crystal quality, experimental conditions and type of material. • The validity of the technique is proven by comparison with independent composition measurements (XRD and EQE). • Test of the method on the data published in the literature has given satisfactory results. - Abstract: A simple and non destructive optical methodology for the quantitative measurement of [S]/([S] + [Se]) anion composition in kesterite Cu{sub 2}ZnSn(S{sub x}Se{sub 1−x}){sub 4} (CZTSSe) solid solutions by means of Raman spectroscopy in the whole S–Se range of compositions has been developed. This methodology is based on the dependence of the integral intensity ratio of Raman bands sensitive to anion vibrations with the [S]/([S] + [Se]) composition of the kesterite solid solutions. The calibration of the parameters used in this analysis involved the synthesis of a set of CZTSSe powders by solid state reaction method, spanning the range from pure Cu{sub 2}ZnSnS{sub 4} to pure Cu{sub 2}ZnSnSe{sub 4}. The validity of the methodology has been tested on different sets of independent samples, including also non-stoichiometric device grade CZTSSe layers with different compositions and films that were synthesized by solution based processes with different crystalline quality. In all cases, the comparison of the results obtained from the analysis of the intensity of the Raman bands with independent composition measurements performed by different techniques as X-ray diffraction and external quantum efficiency has confirmed the satisfactory performance of the developed methodology for the quantitative analysis of these compounds, independently on the crystal quality or the method of synthesis. Further strong support on the methodology performance has been

  13. Quantitative chemical exchange saturation transfer (qCEST) MRI - omega plot analysis of RF-spillover-corrected inverse CEST ratio asymmetry for simultaneous determination of labile proton ratio and exchange rate.

    Science.gov (United States)

    Wu, Renhua; Xiao, Gang; Zhou, Iris Yuwen; Ran, Chongzhao; Sun, Phillip Zhe

    2015-03-01

    Chemical exchange saturation transfer (CEST) MRI is sensitive to labile proton concentration and exchange rate, thus allowing measurement of dilute CEST agent and microenvironmental properties. However, CEST measurement depends not only on the CEST agent properties but also on the experimental conditions. Quantitative CEST (qCEST) analysis has been proposed to address the limitation of the commonly used simplistic CEST-weighted calculation. Recent research has shown that the concomitant direct RF saturation (spillover) effect can be corrected using an inverse CEST ratio calculation. We postulated that a simplified qCEST analysis is feasible with omega plot analysis of the inverse CEST asymmetry calculation. Specifically, simulations showed that the numerically derived labile proton ratio and exchange rate were in good agreement with input values. In addition, the qCEST analysis was confirmed experimentally in a phantom with concurrent variation in CEST agent concentration and pH. Also, we demonstrated that the derived labile proton ratio increased linearly with creatine concentration (P exchange rate followed a dominantly base-catalyzed exchange relationship (P exchange rate in a relatively complex in vitro CEST system.

  14. Quantitative analysis of Boehm's GC

    Institute of Scientific and Technical Information of China (English)

    GUAN Xue-tao; ZHANG Yuan-rui; GOU Xiao-gang; CHENG Xu

    2003-01-01

    The term garbage collection describes the automated process of finding previously allocated memorythatis no longer in use in order to make the memory available to satisfy subsequent allocation requests. Wehave reviewed existing papers and implementations of GC, and especially analyzed Boehm' s C codes, which isa real-time mark-sweep GC running under Linux and ANSI C standard. In this paper, we will quantitatively an-alyze the performance of different configurations of Boehm' s collector subjected to different workloads. Reportedmeasurements demonstrate that a refined garbage collector is a viable alternative to traditional explicit memorymanagement techniques, even for low-level languages. It is more a trade-off for certain system than an all-or-nothing proposition.

  15. Quantitative analysis of qualitative images

    Science.gov (United States)

    Hockney, David; Falco, Charles M.

    2005-03-01

    We show optical evidence that demonstrates artists as early as Jan van Eyck and Robert Campin (c1425) used optical projections as aids for producing their paintings. We also have found optical evidence within works by later artists, including Bermejo (c1475), Lotto (c1525), Caravaggio (c1600), de la Tour (c1650), Chardin (c1750) and Ingres (c1825), demonstrating a continuum in the use of optical projections by artists, along with an evolution in the sophistication of that use. However, even for paintings where we have been able to extract unambiguous, quantitative evidence of the direct use of optical projections for producing certain of the features, this does not mean that paintings are effectively photographs. Because the hand and mind of the artist are intimately involved in the creation process, understanding these complex images requires more than can be obtained from only applying the equations of geometrical optics.

  16. Cancer detection by quantitative fluorescence image analysis.

    Science.gov (United States)

    Parry, W L; Hemstreet, G P

    1988-02-01

    Quantitative fluorescence image analysis is a rapidly evolving biophysical cytochemical technology with the potential for multiple clinical and basic research applications. We report the application of this technique for bladder cancer detection and discuss its potential usefulness as an adjunct to methods used currently by urologists for the diagnosis and management of bladder cancer. Quantitative fluorescence image analysis is a cytological method that incorporates 2 diagnostic techniques, quantitation of nuclear deoxyribonucleic acid and morphometric analysis, in a single semiautomated system to facilitate the identification of rare events, that is individual cancer cells. When compared to routine cytopathology for detection of bladder cancer in symptomatic patients, quantitative fluorescence image analysis demonstrated greater sensitivity (76 versus 33 per cent) for the detection of low grade transitional cell carcinoma. The specificity of quantitative fluorescence image analysis in a small control group was 94 per cent and with the manual method for quantitation of absolute nuclear fluorescence intensity in the screening of high risk asymptomatic subjects the specificity was 96.7 per cent. The more familiar flow cytometry is another fluorescence technique for measurement of nuclear deoxyribonucleic acid. However, rather than identifying individual cancer cells, flow cytometry identifies cellular pattern distributions, that is the ratio of normal to abnormal cells. Numerous studies by others have shown that flow cytometry is a sensitive method to monitor patients with diagnosed urological disease. Based upon results in separate quantitative fluorescence image analysis and flow cytometry studies, it appears that these 2 fluorescence techniques may be complementary tools for urological screening, diagnosis and management, and that they also may be useful separately or in combination to elucidate the oncogenic process, determine the biological potential of tumors

  17. Simultaneous Qualitative and Quantitative Analysis of Multiple Chemical Constituents in YiQiFuMai Injection by Ultra-Fast Liquid Chromatography Coupled with Ion Trap Time-of-Flight Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Chunhua Liu

    2016-05-01

    Full Text Available YiQiFuMai injection (YQFM is a modern lyophilized powder preparation derived from the traditional Chinese medicine Sheng-mai san (SMS used for treating cardiovascular diseases, such as chronic heart failure. However, its chemical composition has not been fully elucidated, particularly for the preparation derived from Ophiopogon japonicus. This study aimed to establish a systematic and reliable method to quickly and simultaneously analyze the chemical constituents in YQFM by ultra-fast liquid chromatography coupled with ion trap time-of-flight mass spectrometry (UFLC-IT-TOF/MS. Sixty-five compounds in YQFM were tentatively identified by comparison with reference substances or literature data. Furthermore, twenty-one compounds, including three ophiopogonins, fifteen ginsenosides and three lignans were quantified by UFLC-IT-TOF/MS. Notably, this is the first determination of steroidal saponins from O. japonicus in YQFM. The relative standard deviations (RSDs of intra- and inter-day precision, reproducibility and stability were <4.9% and all analytes showed good linearity (R2 ≥ 0.9952 and acceptable recovery of 91.8%–104.2% (RSD ≤ 5.4%, indicating that the methods were reliable. These methods were successfully applied to quantitative analysis of ten batches of YQFM. The developed approach can provide useful and comprehensive information for quality control, further mechanistic studies in vivo and clinical application of YQFM.

  18. Benefits and risks of fish consumption Part I. A quantitative analysis of the intake of omega-3 fatty acids and chemical contaminants.

    Science.gov (United States)

    Domingo, José L; Bocio, Ana; Falcó, Gemma; Llobet, Juan M

    2007-02-12

    In recent years, and based on the importance of fish as a part of a healthy diet, there has been a notable promotion of fish consumption. However, the balance between health benefits and risks, due to the intake of chemical contaminants, is not well characterized. In the present study, edible samples of 14 marine species were analyzed for the concentrations of omega-3 fatty acids, as well as a number of metals and organic pollutants. Daily intakes were specifically determined for a standard adult of 70kg, and compared with the tolerable/admissible intakes of the pollutants, if available. Salmon, mackerel, and red mullet were the species showing the highest content of omega-3 fatty acids. The daily intakes of cadmium, lead, and mercury through fish consumption were 1.1, 2.0, and 9.9microg, respectively. Dioxins and furans plus dioxin-like polychlorinated biphenyls (PCBs) intake was 38.0pg WHO-TEQ/day, whereas those of polybrominated diphenyl ethers (PBDEs), polychlorinated diphenyl ethers (PCDEs), polychlorinated naphthalenes (PCNs) and hexachlorobenzene (HCB) were 20.8, 39.4, 1.53, and 1.50ng/day, respectively. In turn, the total intake of 16 analyzed polycyclic aromatic hydrocarbons (PAHs) was 268ng/day. The monthly fish consumption limits for human health endpoints based on the intake of these chemical contaminants were calculated for a 70 years exposure. In general terms, most marine species here analyzed should not mean adverse health effects for the consumers. However, the type of fish, the frequency of consumption, and the meal size are essential issues for the balance of the health benefits and risks of regular fish consumption.

  19. Quantitative and simultaneous analysis of the polarity of polycrystalline ZnO seed layers and related nanowires grown by wet chemical deposition

    Science.gov (United States)

    Guillemin, Sophie; Parize, Romain; Carabetta, Joseph; Cantelli, Valentina; Albertini, David; Gautier, Brice; Brémond, Georges; Fong, Dillon D.; Renevier, Hubert; Consonni, Vincent

    2017-03-01

    The polarity in ZnO nanowires is an important issue since it strongly affects surface configuration and reactivity, nucleation and growth, electro-optical properties, and nanoscale-engineering device performances. However, measuring statistically the polarity of ZnO nanowire arrays grown by chemical bath deposition and elucidating its correlation with the polarity of the underneath polycrystalline ZnO seed layer grown by the sol–gel process represents a major difficulty. To address that issue, we combine resonant x-ray diffraction (XRD) at Zn K-edge using synchrotron radiation with piezoelectric force microscopy and polarity-sensitive chemical etching to statistically investigate the polarity of more than 107 nano-objects both on the macroscopic and local microscopic scales, respectively. By using high temperature annealing under an argon atmosphere, it is shown that the compact, highly c-axis oriented ZnO seed layer is more than 92% Zn-polar and that only a few small O-polar ZnO grains with an amount less than 8% are formed. Correlatively, the resulting ZnO nanowires are also found to be Zn-polar, indicating that their polarity is transferred from the c-axis oriented ZnO grains acting as nucleation sites in the seed layer. These findings pave the way for the development of new strategies to form unipolar ZnO nanowire arrays as a requirement for a number of nanoscale-engineering devices like piezoelectric nanogenerators. They also highlight the great advantage of resonant XRD as a macroscopic, non-destructive method to simultaneously and statistically measure the polarity of ZnO nanowire arrays and of the underneath ZnO seed layer.

  20. Qualitative and quantitative studies of chemical composition of sandarac resin by GC-MS.

    Science.gov (United States)

    Kononenko, I; de Viguerie, L; Rochut, S; Walter, Ph

    2017-01-01

    The chemical composition of sandarac resin was investigated qualitatively and quantitatively by gas chromatography-mass spectrometry (GC-MS). Six compounds with labdane and pimarane skeletons were identified in the resin. The obtained mass spectra were interpreted and the mass spectrometric behaviour of these diterpenoids under EI conditions was described. Quantitative analysis by the method of internal standard revealed that identified diterpenoids represent only 10-30% of the analysed sample. The sandarac resin from different suppliers was analysed (from Kremer, Okhra, Color Rare, La Marchande de Couleurs, L'Atelier Montessori, Hevea). The analysis of different lumps of resins showed that the chemical composition differs from one lump to another, varying mainly in the relative distributions of the components.

  1. Quantitative gold nanoparticle analysis methods: A review.

    Science.gov (United States)

    Yu, Lei; Andriola, Angelo

    2010-08-15

    Research and development in the area of gold nanoparticles' (AuNPs) preparation, characterization, and applications are burgeoning in recent years. Many of the techniques and protocols are very mature, but two major concerns are with the mass domestic production and the consumption of AuNP based products. First, how many AuNPs exist in a dispersion? Second, where are the AuNPs after digestion by the environment and how many are there? To answer these two questions, reliable and reproducible methods are needed to analyze the existence and the population of AuNP in samples. This review summarized the most recent chemical and particle quantitative analysis methods that have been used to characterize the concentration (in number of moles of gold per liter) or population (in number of particles per mL) of AuNPs. The methods summarized in this review include, mass spectroscopy, electroanalytical methods, spectroscopic methods, and particle counting methods. These methods may count the number of AuNP directly or analyze the total concentration of element gold in an AuNP dispersion.

  2. Retrieval algorithm of quantitative analysis of passive Fourier transform infrared (FTRD) remote sensing measurements of chemical gas cloud from measuring the transmissivity by passive remote Fourier transform infrared

    Institute of Scientific and Technical Information of China (English)

    Liu Zhi-Ming; Liu Wen-qing; Gao Ming-Guang; Tong Jing-Jing; Zhang Wian-Shu; Xu Liang; Wei Xiuai

    2008-01-01

    Passive Fourier transform infrared (FTIR) remote sensing measurement of chemical gas cloud is a vital technology.It takes an important part in many fields for the detection of released gases.The principle of concentration measurement is based on the Beer-Lambert law.Unlike the active measurement,for the passive remote sensing,in most cases,the difference between the temperature of the gas cloud and the brightness temperature of the background is usually a few kelvins.The gas cloud emission is almost equal to the background emission,thereby the emission of the gas cloud cannot be ignored.The concentration retrieval algorithm is quite different from the active measurement.In this paper,the concentration retrieval algorithm for the passive FTIR remote measurement of gas cloud is presented in detail,which involves radiative transfer model,radiometric calibration,absorption coefficient calculation,et al.The background spectrum has a broad feature,which is a slowly varying function of frequency.In this paper,the background spectrum is fitted with a polynomial by using the Levenberg-Marquardt method which is a kind of nonlinear least squares fitting algorithm.No background spectra are required.Thus,this method allows mobile,real-time and fast measurements of gas clouds.

  3. Quantitative analysis of liver GST-P foci promoted by a chemical mixture of hexachlorobenzene and PCB 126: implication of size-dependent cellular growth kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Yasong [Colorado State University, Quantitative and Computational Toxicology Group, Department of Environmental and Radiological Health Sciences, Fort Collins, CO (United States); Translational Pharmacology Group, PDM, Pfizer Inc, Groton, CT (United States); Lohitnavy, Manupat; Lohitnavy, Ornrat; Eickman, Elizabeth; Gerjevic, Lisa; Yang, Raymond S.H. [Colorado State University, Quantitative and Computational Toxicology Group, Department of Environmental and Radiological Health Sciences, Fort Collins, CO (United States); Reddy, Micaela [DMPK Group, Preclinical Sciences, Roche Palo Alto LLC, CA (United States); Ashley, Amanda [Colorado State University, Department of Cell and Molecular Biology, Fort Collins, CO (United States); Xu, Yihua [University of Wisconsin, McArdle Laboratory for Cancer Research, Madison, WI (United States); Conolly, Rory B. [USEPA, National Center for Computational Toxicology, Research Triangle Park, NC (United States)

    2008-02-15

    The objectives of this study were twofold: (1) evaluating the carcinogenic potential of the mixture of two persistent environmental pollutants, hexachlorobenzene (HCB) and 3,3',4,4',5-pentachlorobiphenyl (PCB 126), in an initiation-promotion bioassay involving the development of {pi} glutathione S-transferase (GST-P) liver foci, and (2) analyzing the GST-P foci data using a biologically-based computer model (i.e., clonal growth model) with an emphasis on the effect of focal size on the growth kinetics of initiated cells. The 8-week bioassay involved a series of treatments of initiator, two-thirds partial hepatectomy, and daily oral gavage of the mixture of two doses in male F344 rats. The mixture treatment significantly increased liver GST-P foci development, indicating carcinogenic potential of this mixture. Our clonal growth model was developed to simulate the appearance and development of initiated GST-P cells in the liver over time. In the model, the initiated cells were partitioned into two subpopulations with the same division rate but different death rates. Each subpopulation was further categorized into single cells, mini- (2-11 cells), medium- (12-399 cells), and large-foci (>399 cells) with different growth kinetics. Our modeling suggested that the growth of GST-P foci is size-dependent; in general, the larger the foci, the higher the rate constants of division and death. In addition, the modeling implied that the two doses promoted foci development in different manners even though the experimental foci data appeared to be similar between the two doses. This study further illustrated how clonal growth modeling may facilitate our understanding in chemical carcinogenic process. (orig.)

  4. Quantitative Reconstructions of 3D Chemical Nanostructures in Nanowires.

    Science.gov (United States)

    Rueda-Fonseca, P; Robin, E; Bellet-Amalric, E; Lopez-Haro, M; Den Hertog, M; Genuist, Y; André, R; Artioli, A; Tatarenko, S; Ferrand, D; Cibert, J

    2016-03-01

    Energy dispersive X-ray spectrometry is used to extract a quantitative 3D composition profile of heterostructured nanowires. The analysis of hypermaps recorded along a limited number of projections, with a preliminary calibration of the signal associated with each element, is compared to the intensity profiles calculated for a model structure with successive shells of circular, elliptic, or faceted cross sections. This discrete tomographic technique is applied to II-VI nanowires grown by molecular beam epitaxy, incorporating ZnTe and CdTe and their alloys with Mn and Mg, with typical size down to a few nanometers and Mn or Mg content as low as 10%.

  5. Chemical fingerprint analysis and quantitative determination of steroidal compounds from Dioscorea villosa, Dioscorea species and dietary supplements using UHPLC-ELSD.

    Science.gov (United States)

    Avula, Bharathi; Wang, Yan-Hong; Ali, Zulfiqar; Smillie, Troy J; Khan, Ikhlas A

    2014-02-01

    Ultra high-performance liquid chromatography (UHPLC) with evaporative light scattering detection was used for the quantification of steroidal saponins and diosgenin from the rhizomes or tubers of various Dioscorea species and dietary supplements that were purported to contain Dioscorea. The analysis was performed on an Acquity UPLC™ system with an UPLC™ BEH Shield RP18 column using a gradient elution with water and acetonitrile. Owing to their low UV absorption, the steroidal saponins were observed by evaporative light scattering detection. The 12 compounds could be separated within 15 min using the developed UHPLC method with detection limits of 5-12 µg/mL with 2 μL injection volume. The analytical method was validated for linearity, repeatability, accuracy, limits of detection and limits of quantification. The relative standard deviations for intra- and inter-day experiments were <3.1%, and the recovery efficiency was 97-101%. The total content of standard compounds was found to be in the ranges 0.01-14.5% and 0.9-28.6 mg daily intake for dry plant materials and solid commercial preparations, respectively. UHPLC-mass spectrometry with a quadrupole mass analyzer and ESI source was used only for confirmation of the identity of the various saponins. The developed method is simple, rapid and especially suitable for quality control analysis of commercial products.

  6. Localized Quantitative Characterization of Chemical Functionalization Effects on Adhesion Properties of SWNT

    Directory of Open Access Journals (Sweden)

    Hao Lu

    2011-01-01

    Full Text Available Chemical modification of single-walled carbon nanotubes (SWNT has been found to be an excellent method to promote SWNT dispersion, and possibly to improve interaction with matrices via covalent bonding. It is thus a quite promising technique to enhance the mechanical properties of SWNT-reinforced nanocomposites. However, the underlying mechanism of SWNT chemical functionalization effects on interfacial strength is not quantitatively understood, limiting their usefulness in the design of nanocomposites. In this work, an atomic force microscopy (AFM- based adhesive force mapping technique combined with a statistical analysis method were developed and implemented to study adhesive interactions of small SWNT bundles functionalized by amino, epoxide, and hydroperoxide groups as compared to SDS-treated SWNT in controlled environment. Finally, the importance of such localized quantitative measurements in SWNT-reinforced nanocomposites design and fabrication was also discussed.

  7. Quantitative risks analysis of maritime terminal petrochemical

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Leandro Silveira; Leal, Cesar A. [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica (PROMEC)]. E-mail: leandro19889900@yahoo.com.br

    2008-07-01

    This work consists of the application of a computer program (RISKAN) developed for studies of quantification of industrial risks and also a revision of the models used in the program. As part the evaluation made, a test was performed with the application of the computer program to estimate the risks for a marine terminal for storage of petrochemical products, in the city of Rio Grande, Brazil. Thus, as part of the work, it was performed a Quantitative Risk Analysis associated to the terminal, both for the workers and for the population nearby, with a verification of acceptability using the tolerability limits established by the State Licensing Agency (FEPAM-RS). In the risk analysis methodology used internationally, the most used way of presenting results of social risks is in the graphical form with the use of the FN curves and for the individual risk it is common the use of the iso-risk curves traced on the map of the area where is the plant. In the beginning of the study, both a historical analysis of accidents and use of the technique of Preliminary Analysis of Risks were made in order to aid in the process of identification of the possible scenarios of accidents related to the activities in the terminal. After identifying the initiating events, their frequencies or probabilities of occurrence were estimated and followed by the calculations of the physical effects and deaths, with the use, inside the computer program, of published models of Prins Mauritz Laboratory and of American Institute of Chemical Engineers. The average social risk obtained for the external populations was of 8.7x10{sup -7} fatality.year{sup -1} and for the internal population (people working inside the terminal), 3.2x10{sup -4} fatality.year-1. The accident scenario that most contributed to the social risk was death due to exposure to the thermal radiation caused by pool fire, with 84.3% of the total estimated for external populations and 82.9% for the people inside the terminal. The

  8. Christhin: Quantitative Analysis of Thin Layer Chromatography

    CERN Document Server

    Barchiesi, Maximiliano; Renaudo, Carlos; Rossi, Pablo; Pramparo, María de Carmen; Nepote, Valeria; Grosso, Nelson Ruben; Gayol, María Fernanda

    2012-01-01

    Manual for Christhin 0.1.36 Christhin (Chromatography Riser Thin) is software developed for the quantitative analysis of data obtained from thin-layer chromatographic techniques (TLC). Once installed on your computer, the program is very easy to use, and provides data quickly and accurately. This manual describes the program, and reading should be enough to use it properly.

  9. Quantitative texture analysis of electrodeposited line patterns

    DEFF Research Database (Denmark)

    Pantleon, Karen; Somers, Marcel A.J.

    2005-01-01

    Free-standing line patterns of Cu and Ni were manufactured by electrochemical deposition into lithographically prepared patterns. Electrodeposition was carried out on top of a highly oriented Au-layer physically vapor deposited on glass. Quantitative texture analysis carried out by means of x...

  10. Seniors' Online Communities: A Quantitative Content Analysis

    Science.gov (United States)

    Nimrod, Galit

    2010-01-01

    Purpose: To examine the contents and characteristics of seniors' online communities and to explore their potential benefits to older adults. Design and Methods: Quantitative content analysis of a full year's data from 14 leading online communities using a novel computerized system. The overall database included 686,283 messages. Results: There was…

  11. A quantitative approach to scar analysis.

    Science.gov (United States)

    Khorasani, Hooman; Zheng, Zhong; Nguyen, Calvin; Zara, Janette; Zhang, Xinli; Wang, Joyce; Ting, Kang; Soo, Chia

    2011-02-01

    Analysis of collagen architecture is essential to wound healing research. However, to date no consistent methodologies exist for quantitatively assessing dermal collagen architecture in scars. In this study, we developed a standardized approach for quantitative analysis of scar collagen morphology by confocal microscopy using fractal dimension and lacunarity analysis. Full-thickness wounds were created on adult mice, closed by primary intention, and harvested at 14 days after wounding for morphometrics and standard Fourier transform-based scar analysis as well as fractal dimension and lacunarity analysis. In addition, transmission electron microscopy was used to evaluate collagen ultrastructure. We demonstrated that fractal dimension and lacunarity analysis were superior to Fourier transform analysis in discriminating scar versus unwounded tissue in a wild-type mouse model. To fully test the robustness of this scar analysis approach, a fibromodulin-null mouse model that heals with increased scar was also used. Fractal dimension and lacunarity analysis effectively discriminated unwounded fibromodulin-null versus wild-type skin as well as healing fibromodulin-null versus wild-type wounds, whereas Fourier transform analysis failed to do so. Furthermore, fractal dimension and lacunarity data also correlated well with transmission electron microscopy collagen ultrastructure analysis, adding to their validity. These results demonstrate that fractal dimension and lacunarity are more sensitive than Fourier transform analysis for quantification of scar morphology.

  12. Chemical substructure analysis in toxicology

    Energy Technology Data Exchange (ETDEWEB)

    Beauchamp, R.O. Jr. [Center for Information on Toxicology and Environment, Raleigh, NC (United States)

    1990-12-31

    A preliminary examination of chemical-substructure analysis (CSA) demonstrates the effective use of the Chemical Abstracts compound connectivity file in conjunction with the bibliographic file for relating chemical structures to biological activity. The importance of considering the role of metabolic intermediates under a variety of conditions is illustrated, suggesting structures that should be examined that may exhibit potential activity. This CSA technique, which utilizes existing large files accessible with online personal computers, is recommended for use as another tool in examining chemicals in drugs. 2 refs., 4 figs.

  13. Spotsizer: High-throughput quantitative analysis of microbial growth

    Science.gov (United States)

    Jeffares, Daniel C.; Arzhaeva, Yulia; Bähler, Jürg

    2017-01-01

    Microbial colony growth can serve as a useful readout in assays for studying complex genetic interactions or the effects of chemical compounds. Although computational tools for acquiring quantitative measurements of microbial colonies have been developed, their utility can be compromised by inflexible input image requirements, non-trivial installation procedures, or complicated operation. Here, we present the Spotsizer software tool for automated colony size measurements in images of robotically arrayed microbial colonies. Spotsizer features a convenient graphical user interface (GUI), has both single-image and batch-processing capabilities, and works with multiple input image formats and different colony grid types. We demonstrate how Spotsizer can be used for high-throughput quantitative analysis of fission yeast growth. The user-friendly Spotsizer tool provides rapid, accurate, and robust quantitative analyses of microbial growth in a high-throughput format. Spotsizer is freely available at https://data.csiro.au/dap/landingpage?pid=csiro:15330 under a proprietary CSIRO license. PMID:27712582

  14. The chemical characterization of the aroma of dessert and sparkling white wines (Pedro Ximénez, Fino, Sauternes, and Cava) by gas chromatography-olfactometry and chemical quantitative analysis.

    Science.gov (United States)

    Campo, Eva; Cacho, Juan; Ferreira, Vicente

    2008-04-09

    Wines from Pedro Ximénez (PX), Fino, botrytized Sauternes, and Cava were screened by gas chromatography-olfactometry (GC-O), and the most relevant aroma compounds were further quantified in six different wines of each group. The comparison of GC-O and quantitative data with similar data from white young wines has made it possible to identify the aroma compounds potentially responsible for the specific sensory characteristics of these wines. Results have shown that all these wines are relatively rich in 3-methylbutanal, phenylacetaldehyde, methional, sotolon, and the ethyl esters of 2-, 3-, and 4-methylpentanoic acids. While Cava has a less specific aroma profile halfway between these special wines and young white wines, PX is richest in 3-methylbutanal, furfural, beta-damascenone, ethyl cyclohexanoate, and sotolon; Fino in acetaldehyde, diacetyl, ethyl esters of branched aliphatic acids with four, five, or six carbon atoms, and 4-ethylguaiacol; and Sauternes in phenylacetaldehyde, 3-mercaptohexanol, and 4-methyl-4-mercaptopentanone.

  15. Major Chemical Constituents of Bamboo Shoots (Phyllostachys pubescens): Qualitative and Quantitative Research.

    Science.gov (United States)

    Sun, Jia; Ding, Zhao-Qing; Gao, Quan; Xun, Hang; Tang, Feng; Xia, Er-Dong

    2016-03-30

    Bamboo shoots are a delicacy in Asia. Two novel compounds, adenine-(1'R,2'R,3'R)-cyclic butanetetraol carbonate (16) and (-)-(7R,8S)-(4-hydroxy-3-methoxyphenylglycerol 9-O-β-D-[6-O-4-hydroxy-3-methoxybenzoyl])-glucopyranoside (20), together with 12 known nucleosides (1-12), 3 amino acids (13-15), β-carboline (17), and 2 megastigmane glycosides (18, 19) were isolated from bamboo shoots (Phyllostachys pubescens). Their structures and absolute configurations were rigorously determined by detailed spectroscopic analysis, and the composition of carbohydrates in bamboo shoots was qualitatively detected and quantitatively analyzed with ion chromatography. A simple, rapid, sensitive, and accurate HPLC-UV analysis was built for routine edible quality control of bamboo shoots, and 12 major components of bamboo shoots were quantitatively analyzed. The major chemical constituents of bamboo shoots were determined to be carbohydrates, amino acids, and nucleotides. These findings are correctives to the usual view of bamboo shoots chemical composition, and the previous research reports about the chemical composition of bamboo shoots may have taken the aromatic amino acids and nucleotides for flavonoids and phenolic acids.

  16. Comprehensive Quantitative Analysis of SQ Injection Using Multiple Chromatographic Technologies.

    Science.gov (United States)

    Chau, Siu-Leung; Huang, Zhi-Bing; Song, Yan-Gang; Yue, Rui-Qi; Ho, Alan; Lin, Chao-Zhan; Huang, Wen-Hua; Han, Quan-Bin

    2016-08-19

    Quality control of Chinese medicine injections remains a challenge due to our poor knowledge of their complex chemical profile. This study aims to investigate the chemical composition of one of the best-selling injections, Shenqi Fuzheng (SQ) injection (SQI), via a full component quantitative analysis. A total of 15 representative small molecular components of SQI were simultaneously determined using ultra-high performance liquid chromatography (UHPLC) coupled with quadrupole tandem time-of-flight mass spectrometry (Q-TOF-MS); saccharide composition of SQI was also quantitatively determined by high performance liquid chromatography (HPLC) with evaporative light scattering detector (ELSD) on an amino column before and after acid hydrolysis. The existence of polysaccharides was also examined on a gel permeation chromatography column. The method was well validated in terms of linearity, sensitivity, precision, accuracy and stability, and was successfully applied to analyze 13 SQI samples. The results demonstrate that up to 94.69% (w/w) of this injection product are quantitatively determined, in which small molecules and monosaccharide/sucrose account for 0.18%-0.21%, and 53.49%-58.2%, respectively. The quantitative information contributes to accumulating scientific evidence to better understand the therapy efficacy and safety of complex Chinese medicine injections.

  17. Comprehensive Quantitative Analysis of SQ Injection Using Multiple Chromatographic Technologies

    Directory of Open Access Journals (Sweden)

    Siu-Leung Chau

    2016-08-01

    Full Text Available Quality control of Chinese medicine injections remains a challenge due to our poor knowledge of their complex chemical profile. This study aims to investigate the chemical composition of one of the best-selling injections, Shenqi Fuzheng (SQ injection (SQI, via a full component quantitative analysis. A total of 15 representative small molecular components of SQI were simultaneously determined using ultra-high performance liquid chromatography (UHPLC coupled with quadrupole tandem time-of-flight mass spectrometry (Q-TOF-MS; saccharide composition of SQI was also quantitatively determined by high performance liquid chromatography (HPLC with evaporative light scattering detector (ELSD on an amino column before and after acid hydrolysis. The existence of polysaccharides was also examined on a gel permeation chromatography column. The method was well validated in terms of linearity, sensitivity, precision, accuracy and stability, and was successfully applied to analyze 13 SQI samples. The results demonstrate that up to 94.69% (w/w of this injection product are quantitatively determined, in which small molecules and monosaccharide/sucrose account for 0.18%–0.21%, and 53.49%–58.2%, respectively. The quantitative information contributes to accumulating scientific evidence to better understand the therapy efficacy and safety of complex Chinese medicine injections.

  18. Quantitative image analysis of celiac disease

    Science.gov (United States)

    Ciaccio, Edward J; Bhagat, Govind; Lewis, Suzanne K; Green, Peter H

    2015-01-01

    We outline the use of quantitative techniques that are currently used for analysis of celiac disease. Image processing techniques can be useful to statistically analyze the pixular data of endoscopic images that is acquired with standard or videocapsule endoscopy. It is shown how current techniques have evolved to become more useful for gastroenterologists who seek to understand celiac disease and to screen for it in suspected patients. New directions for focus in the development of methodology for diagnosis and treatment of this disease are suggested. It is evident that there are yet broad areas where there is potential to expand the use of quantitative techniques for improved analysis in suspected or known celiac disease patients. PMID:25759524

  19. Quantitative image analysis of celiac disease.

    Science.gov (United States)

    Ciaccio, Edward J; Bhagat, Govind; Lewis, Suzanne K; Green, Peter H

    2015-03-07

    We outline the use of quantitative techniques that are currently used for analysis of celiac disease. Image processing techniques can be useful to statistically analyze the pixular data of endoscopic images that is acquired with standard or videocapsule endoscopy. It is shown how current techniques have evolved to become more useful for gastroenterologists who seek to understand celiac disease and to screen for it in suspected patients. New directions for focus in the development of methodology for diagnosis and treatment of this disease are suggested. It is evident that there are yet broad areas where there is potential to expand the use of quantitative techniques for improved analysis in suspected or known celiac disease patients.

  20. Using Qualitative Hazard Analysis to Guide Quantitative Safety Analysis

    Science.gov (United States)

    Shortle, J. F.; Allocco, M.

    2005-01-01

    Quantitative methods can be beneficial in many types of safety investigations. However, there are many difficulties in using quantitative m ethods. Far example, there may be little relevant data available. This paper proposes a framework for using quantitative hazard analysis to prioritize hazard scenarios most suitable for quantitative mziysis. The framework first categorizes hazard scenarios by severity and likelihood. We then propose another metric "modeling difficulty" that desc ribes the complexity in modeling a given hazard scenario quantitatively. The combined metrics of severity, likelihood, and modeling difficu lty help to prioritize hazard scenarios for which quantitative analys is should be applied. We have applied this methodology to proposed concepts of operations for reduced wake separation for airplane operatio ns at closely spaced parallel runways.

  1. Influence analysis in quantitative trait loci detection.

    Science.gov (United States)

    Dou, Xiaoling; Kuriki, Satoshi; Maeno, Akiteru; Takada, Toyoyuki; Shiroishi, Toshihiko

    2014-07-01

    This paper presents systematic methods for the detection of influential individuals that affect the log odds (LOD) score curve. We derive general formulas of influence functions for profile likelihoods and introduce them into two standard quantitative trait locus detection methods-the interval mapping method and single marker analysis. Besides influence analysis on specific LOD scores, we also develop influence analysis methods on the shape of the LOD score curves. A simulation-based method is proposed to assess the significance of the influence of the individuals. These methods are shown useful in the influence analysis of a real dataset of an experimental population from an F2 mouse cross. By receiver operating characteristic analysis, we confirm that the proposed methods show better performance than existing diagnostics.

  2. Quantitative resilience analysis through control design.

    Energy Technology Data Exchange (ETDEWEB)

    Sunderland, Daniel; Vugrin, Eric D.; Camphouse, Russell Chris (Sandia National Laboratories, Carlsbad, NM)

    2009-09-01

    Critical infrastructure resilience has become a national priority for the U. S. Department of Homeland Security. System resilience has been studied for several decades in many different disciplines, but no standards or unifying methods exist for critical infrastructure resilience analysis. Few quantitative resilience methods exist, and those existing approaches tend to be rather simplistic and, hence, not capable of sufficiently assessing all aspects of critical infrastructure resilience. This report documents the results of a late-start Laboratory Directed Research and Development (LDRD) project that investigated the development of quantitative resilience through application of control design methods. Specifically, we conducted a survey of infrastructure models to assess what types of control design might be applicable for critical infrastructure resilience assessment. As a result of this survey, we developed a decision process that directs the resilience analyst to the control method that is most likely applicable to the system under consideration. Furthermore, we developed optimal control strategies for two sets of representative infrastructure systems to demonstrate how control methods could be used to assess the resilience of the systems to catastrophic disruptions. We present recommendations for future work to continue the development of quantitative resilience analysis methods.

  3. Quantitative phase analysis by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang Hee; Song, Su Ho; Lee, Jin Ho; Shim, Hae Seop [Korea Atomic Energy Research Institute, Taejon (Korea)

    1999-06-01

    This study is to apply quantitative phase analysis (QPA) by neutron diffraction to the round robin samples provided by the International Union of Crystallography(IUCr). We measured neutron diffraction patterns for mixed samples which have several different weight percentages and their unique characteristic features. Neutron diffraction method has been known to be superior to its complementary methods such as X-ray or Synchrotron, but it is still accepted as highly reliable under limited conditions or samples. Neutron diffraction has strong capability especially on oxides due to its scattering cross-section of the oxygen and it can become a more strong tool for analysis on the industrial materials with this quantitative phase analysis techniques. By doing this study, we hope not only to do one of instrument performance tests on our HRPD but also to improve our ability on the analysis of neutron diffraction data by comparing our QPA results with others from any advanced reactor facilities. 14 refs., 4 figs., 6 tabs. (Author)

  4. Quantitative Survey and Structural Classification of Fracking Chemicals Reported in Unconventional Gas Exploitation

    Science.gov (United States)

    Elsner, Martin; Schreglmann, Kathrin

    2015-04-01

    Few technologies are being discussed in such controversial terms as hydraulic fracturing ("fracking") in the recovery of unconventional gas. Particular concern regards the chemicals that may return to the surface as a result of hydraulic fracturing. These are either "fracking chemicals" - chemicals that are injected together with the fracking fluid to optimize the fracturing performance or geogenic substances which may turn up during gas production, in the so-called produced water originating from the target formation. Knowledge about them is warranted for several reasons. (1) Monitoring. Air emissions are reported to arise from well drilling, the gas itself or condensate tanks. In addition, potential spills and accidents bear the danger of surface and shallow groundwater contaminations. Monitoring strategies are therefore warranted to screen for "indicator" substances of potential impacts. (2) Chemical Analysis. To meet these analytical demands, target substances must be defined so that adequate sampling approaches and analytical methods can be developed. (3) Transformation in the Subsurface. Identification and classification of fracking chemicals (aromatics vs. alcohols vs. acids, esters, etc.) is further important to assess the possibility of subsurface reactions which may potentially generate new, as yet unidentified transformation products. (4) Wastewater Treatment. For the same reason chemical knowledge is important for optimized wastewater treatment strategies. (5) Human and Ecosystem Health. Knowledge of the most frequent fracking chemicals is further essential for risk assessment (environmental behavior, toxicity) (6) Public Discussions. Finally, an overview of reported fracking chemicals can provide unbiased scientific into current public debates and enable critical reviews of Green Chemistry approaches. Presently, however, such information is not readily available. We aim to close this knowledge gap by providing a quantitative overview of chemical

  5. Quantitative analysis of spirality in elliptical galaxies

    CERN Document Server

    Dojcsak, Levente

    2013-01-01

    We use an automated galaxy morphology analysis method to quantitatively measure the spirality of galaxies classified manually as elliptical. The data set used for the analysis consists of 60,518 galaxy images with redshift obtained by the Sloan Digital Sky Survey (SDSS) and classified manually by Galaxy Zoo, as well as the RC3 and NA10 catalogues. We measure the spirality of the galaxies by using the Ganalyzer method, which transforms the galaxy image to its radial intensity plot to detect galaxy spirality that is in many cases difficult to notice by manual observation of the raw galaxy image. Experimental results using manually classified elliptical and S0 galaxies with redshift <0.3 suggest that galaxies classified manually as elliptical and S0 exhibit a nonzero signal for the spirality. These results suggest that the human eye observing the raw galaxy image might not always be the most effective way of detecting spirality and curves in the arms of galaxies.

  6. Using Glycinylation, a Chemical Derivatization Technique, for the Quantitation of Ubiquitinated Proteins

    OpenAIRE

    Fiedler, Katherine L.; Cotter, Robert J.

    2013-01-01

    The quantitation of lysine post-translational modifications (PTMs) by bottom-up mass spectrometry is convoluted by the need for analogous derivatives and the production of different tryptic peptides from the unmodified and modified versions of a protein. Chemical derivatization of lysines prior to enzymatic digestion circumvents these problems and has proven to be a successful method for lysine PTM quantitation. The most notable example is the use of deuteroacetylation to quantitate lysine ac...

  7. Quantitative Analysis in Nuclear Medicine Imaging

    CERN Document Server

    2006-01-01

    This book provides a review of image analysis techniques as they are applied in the field of diagnostic and therapeutic nuclear medicine. Driven in part by the remarkable increase in computing power and its ready and inexpensive availability, this is a relatively new yet rapidly expanding field. Likewise, although the use of radionuclides for diagnosis and therapy has origins dating back almost to the discovery of natural radioactivity itself, radionuclide therapy and, in particular, targeted radionuclide therapy has only recently emerged as a promising approach for therapy of cancer and, to a lesser extent, other diseases. As effort has, therefore, been made to place the reviews provided in this book in a broader context. The effort to do this is reflected by the inclusion of introductory chapters that address basic principles of nuclear medicine imaging, followed by overview of issues that are closely related to quantitative nuclear imaging and its potential role in diagnostic and therapeutic applications. ...

  8. Automatic quantitative morphological analysis of interacting galaxies

    CERN Document Server

    Shamir, Lior; Wallin, John

    2013-01-01

    The large number of galaxies imaged by digital sky surveys reinforces the need for computational methods for analyzing galaxy morphology. While the morphology of most galaxies can be associated with a stage on the Hubble sequence, morphology of galaxy mergers is far more complex due to the combination of two or more galaxies with different morphologies and the interaction between them. Here we propose a computational method based on unsupervised machine learning that can quantitatively analyze morphologies of galaxy mergers and associate galaxies by their morphology. The method works by first generating multiple synthetic galaxy models for each galaxy merger, and then extracting a large set of numerical image content descriptors for each galaxy model. These numbers are weighted using Fisher discriminant scores, and then the similarities between the galaxy mergers are deduced using a variation of Weighted Nearest Neighbor analysis such that the Fisher scores are used as weights. The similarities between the ga...

  9. 危险化学品企业安全验收评价结论量化分析%Quantitative analysis on conclusions of safety assessment upon completion for hazard chemical enterprises

    Institute of Scientific and Technical Information of China (English)

    葛秀坤; 邵辉; 赵庆贤; 邢志祥; 郝永梅

    2012-01-01

    为了使危险化学品企业安全验收评价结论更加准确、客观,根据安全验收评价结论编制的原则和相关导则,从法律法规符合性、外部安全条件、总平面布局及建筑结构、主要生产装置设施、主要储存装置设施、公用工程和辅助设施、安全管理及从业人员条件和应急救援等八个方面建立了安全验收评价结论定量评估指标体系.基于层次分析法确定各级指标权重,建立了安全验收评价结论定量评估模型.为方便对安全验收评价结论进行准确、快速地评估,利用EXCEL软件建立了安全验收评价结论定量评估系统.该评估模型和评估系统可以客观、快速、准确地对危险化学品企业安全验收评价结论进行定量评估.%In order to make safety assessment upon completion of hazard chemical enterprises more accurate and objective, according to compilation principles of safety assessment upon completion and related guidelines, a quantitative evaluation index system of evaluation was established from eight aspects, including laws and regulations eon-formability, foreign safety situation, general layout, main production equipments, main store equipments, public project and auxiliary facilities, safety mangement and employment conditions and-emergency rescue. The index weights were made by Analytic Hierarchy Process method and quantitative assessment models on conclusions of safety assessment upon completion were established. In order to make safety assessment upon completion conclusion more accurate and faster, a quantitative evaluation system on conclusions of safety assessment upon completion was built by EXCEL software. The assessment models and system can quantify conclusions of safety assessment upon completion for hazard chemical enterprises more objectively, quickly and accurately.

  10. Quantitative risk analysis as a basis for emergency planning

    Energy Technology Data Exchange (ETDEWEB)

    Yogui, Regiane Tiemi Teruya [Bureau Veritas do Brasil, Rio de Janeiro, RJ (Brazil); Macedo, Eduardo Soares de [Instituto de Pesquisas Tecnologicas (IPT), Sao Paulo, SP (Brazil)

    2009-07-01

    Several environmental accidents happened in Brazil and in the world during the 70's and 80's. This strongly motivated the preparation for emergencies in the chemical and petrochemical industries. Environmental accidents affect the environment and the communities that are neighbor to the industrial facilities. The present study aims at subsidizing and providing orientation to develop Emergency Planning from the data obtained on Quantitative Risk Analysis, elaborated according to the Technical Standard P4.261/03 from CETESB (Sao Paulo Environmental Agency). It was observed, during the development of the research, that the data generated on these studies need a complementation and a deeper analysis, so that it is possible to use them on the Emergency Plans. The main issues that were analyzed and discussed on this study were the reevaluation of hazard identification for the emergency plans, the consequences and vulnerability analysis for the response planning, the risk communication, and the preparation to respond to the emergencies of the communities exposed to manageable risks. As a result, the study intends to improve the interpretation and use of the data deriving from the Quantitative Risk Analysis to develop the emergency plans. (author)

  11. Nonlinear dynamics and quantitative EEG analysis.

    Science.gov (United States)

    Jansen, B H

    1996-01-01

    Quantitative, computerized electroencephalogram (EEG) analysis appears to be based on a phenomenological approach to EEG interpretation, and is primarily rooted in linear systems theory. A fundamentally different approach to computerized EEG analysis, however, is making its way into the laboratories. The basic idea, inspired by recent advances in the area of nonlinear dynamics and chaos theory, is to view an EEG as the output of a deterministic system of relatively simple complexity, but containing nonlinearities. This suggests that studying the geometrical dynamics of EEGs, and the development of neurophysiologically realistic models of EEG generation may produce more successful automated EEG analysis techniques than the classical, stochastic methods. A review of the fundamentals of chaos theory is provided. Evidence supporting the nonlinear dynamics paradigm to EEG interpretation is presented, and the kind of new information that can be extracted from the EEG is discussed. A case is made that a nonlinear dynamic systems viewpoint to EEG generation will profoundly affect the way EEG interpretation is currently done.

  12. Quantitative chemical analysis for the standardization of copaiba oil by high resolution gas chromatography; Analise quimica quantitativa para a padronizacao do oleo de copaiba por cromatografia em fase gasosa de alta resolucao

    Energy Technology Data Exchange (ETDEWEB)

    Tappin, Marcelo R.R.; Pereira, Jislaine F.G.; Lima, Lucilene A.; Siani, Antonio C. [Farmanguinhos - Inst. de Tecnologia em Farmacos, Rio de Janeiro, RJ (Brazil)]. E-mail: siani@far.fiocruz.br; Mazzei, Jose L. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Escola de Quimica; Ramos, Monica F.S. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Faculdade de Farmacia. Dept. de Medicamentos

    2004-04-01

    Quantitative GC-FID was evaluated for analysis of methylated copaiba oils, using trans-(-)-caryophyllene or methyl copalate as external standards. Analytical curves showed good linearity and reproducibility in terms of correlation coefficients (0.9992 and 0.996, respectively) and relative standard deviation (< 3%). Quantification of sesquiterpenes and diterpenic acids were performed with each standard, separately. When compared with the integrator response normalization, the standardization was statistically similar for the case of methyl copalate, but the response of trans-(-)-caryophyllene was statistically (P < 0.05) different. This method showed to be suitable for classification and quality control of commercial samples of the oils. (author)

  13. Quantitative determinations of chemical compounds with nutritional value from Inca crops: Chenopodium quinoa ('quinoa').

    Science.gov (United States)

    González, J A; Roldán, A; Gallardo, M; Escudero, T; Prado, F E

    1989-12-01

    Quantitative determinations of total and soluble proteins, total and free sugars, starch, total lipids, tanins, ash (Ca, Na, K, Fe, and P), and caloric value were carried out on quinoa flour. Results show that the amount of soluble proteins was higher than the standard value for wheat and maize and was very close to that of barley's. The yield of free sugars like glucose (4.55%), fructose (2.41%) and sucrose (2.39%) were also of importance. Iron and calcium levels were higher than the reported values for maize and barley. The same occurred for the caloric value (435.5 Kcal/100 g). The content of saponins was also examined since its effect on red blood cells of group A and O has been related as a potential problem of the Andes population. From the chemical analysis a more complete view about quinoa as human food was presented.

  14. Quantitative analysis of protein turnover in plants.

    Science.gov (United States)

    Nelson, Clark J; Li, Lei; Millar, A Harvey

    2014-03-01

    Proteins are constantly being synthesised and degraded as plant cells age and as plants grow, develop and adapt the proteome. Given that plants develop through a series of events from germination to fruiting and even undertake whole organ senescence, an understanding of protein turnover as a fundamental part of this process in plants is essential. Both synthesis and degradation processes are spatially separated in a cell across its compartmented structure. The majority of protein synthesis occurs in the cytosol, while synthesis of specific components occurs inside plastids and mitochondria. Degradation of proteins occurs in both the cytosol, through the action of the plant proteasome, and in organelles and lytic structures through different protease classes. Tracking the specific synthesis and degradation rate of individual proteins can be undertaken using stable isotope feeding and the ability of peptide MS to track labelled peptide fractions over time. Mathematical modelling can be used to follow the isotope signature of newly synthesised protein as it accumulates and natural abundance proteins as they are lost through degradation. Different technical and biological constraints govern the potential for the use of (13)C, (15)N, (2)H and (18)O for these experiments in complete labelling and partial labelling strategies. Future development of quantitative protein turnover analysis will involve analysis of protein populations in complexes and subcellular compartments, assessing the effect of PTMs and integrating turnover studies into wider system biology study of plants.

  15. Quantitative risk analysis preoperational of gas pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Manfredi, Carlos; Bispo, Gustavo G.; Esteves, Alvaro [Gie S.A., Buenos Aires (Argentina)

    2009-07-01

    The purpose of this analysis is to predict how it can be affected the individual risk and the public's general security due to the operation of a gas pipeline. In case that the single or social risks are considered intolerable, compared with the international standards, to be recommended measures of mitigation of the risk associated to the operation until levels that can be considered compatible with the best practices in the industry. The quantitative risk analysis calculates the probability of occurrence of an event based on the frequency of occurrence of the same one and it requires a complex mathematical treatment. The present work has as objective to develop a calculation methodology based on the previously mentioned publication. This calculation methodology is centered in defining the frequencies of occurrence of events, according to representative database of each case in study. Besides, it settles down the consequences particularly according to the considerations of each area and the different possibilities of interferences with the gas pipeline in study. For each one of the interferences a typical curve of ignition probabilities is developed in function from the distance to the pipe. (author)

  16. Quantitative Risk Analysis: Method And Process

    Directory of Open Access Journals (Sweden)

    Anass BAYAGA

    2010-03-01

    Full Text Available Recent and past studies (King III report, 2009: 73-75; Stoney 2007;Committee of Sponsoring Organisation-COSO, 2004, Bartell, 2003; Liebenberg and Hoyt, 2003; Reason, 2000; Markowitz 1957 lament that although, the introduction of quantifying risk to enhance degree of objectivity in finance for instance was quite parallel to its development in the manufacturing industry, it is not the same in Higher Education Institution (HEI. In this regard, the objective of the paper was to demonstrate the methods and process of Quantitative Risk Analysis (QRA through likelihood of occurrence of risk (phase I. This paper serves as first of a two-phased study, which sampled hundred (100 risk analysts in a University in the greater Eastern Cape Province of South Africa.The analysis of likelihood of occurrence of risk by logistic regression and percentages were conducted to investigate whether there were a significant difference or not between groups (analyst in respect of QRA.The Hosmer and Lemeshow test was non-significant with a chi-square(X2 =8.181; p = 0.300, which indicated that there was a good model fit, since the data did not significantly deviate from the model. The study concluded that to derive an overall likelihood rating that indicated the probability that a potential risk may be exercised within the construct of an associated threat environment, the following governing factors must be considered: (1 threat source motivation and capability (2 nature of the vulnerability (3 existence and effectiveness of current controls (methods and process.

  17. Gas phase chemical detection with an integrated chemical analysis system

    Energy Technology Data Exchange (ETDEWEB)

    CASALNUOVO,STEPHEN A.; FRYE-MASON,GREGORY CHARLES; KOTTENSTETTE,RICHARD; HELLER,EDWIN J.; MATZKE,CAROLYN M.; LEWIS,PATRICK R.; MANGINELL,RONALD P.; BACA,ALBERT G.; HIETALA,VINCENT M.

    2000-04-12

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample preconcentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described.

  18. [Laboratory chemical analysis in ascites].

    Science.gov (United States)

    Satz, N

    1991-04-13

    Chemical analysis of ascitic fluid may be helpful in determining the underlying disease. We discuss the diagnostic accuracy of the common and newer chemical parameters (protein, LDH, lactate, glucose, cholesterol, triglycerides, phospholipids, fibronectin, albumin gradient [value of serum minus value of ascites], ferritin, tumor markers, immunomodulators, leukocytes, bacterial and cytologic examinations). We also review the pathogenesis and clinical findings of the most frequent ascites forms (benign hepatic, infective, malignant ascites, ascites associated with liver metastases or hepatocellular carcinoma, cardiac and pancreatic ascites) and the most important diagnosis criteria. In the malignant ascites a high cholesterol, a narrow albumin gradient or a high ferritin value have high diagnostic accuracy, but diagnosis is by the finding of malignant cells. For the diagnosis of infective ascites, bacteriology is mandatory even though the results are negative in most cases, particularly in spontaneous bacterial peritonitis where diagnosis has to be established clinically, by a low pH or by a high leukocyte count. Benign hepatic ascites is diagnosed by demonstrating an underlying chronic liver disease and laboratory examinations of the peritoneal fluid to exclude other causes. The laboratory tests in ascites associated with liver metastases or with hepatocellular carcinoma were similar to those in benign hepatic ascites and the two ascites forms must be separated by other clinical and technical findings. Pancreatic ascites can easily be distinguished from the other forms by the high amylase and lipase content.

  19. A quantitative comparison between electrocoagulation and chemical coagulation for boron removal from boron-containing solution

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, A. Erdem [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering, 25240 Erzurum (Turkey)], E-mail: aerdemy@atauni.edu.tr; Boncukcuoglu, Recep [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering, 25240 Erzurum (Turkey); Kocakerim, M. Muhtar [Atatuerk University, Faculty of Engineering, Department of Chemical Engineering, 25240 Erzurum (Turkey)

    2007-10-22

    This paper provides a quantitative comparison of electrocoagulation and chemical coagulation approaches based on boron removal. Electrocoagulation process delivers the coagulant in situ as the sacrificial anode corrodes, due to a fixed current density, while the simultaneous evolution of hydrogen at the cathode allows for pollutant removal by flotation. By comparison, conventional chemical coagulation typically adds a salt of the coagulant, with settling providing the primary pollutant removal path. Chemical coagulation was carried out via jar tests using aluminum chloride. Comparison was done with the same amount of coagulant between electrocoagulation and chemical coagulation processes. Boron removal obtained was higher with electrocoagulation process. In addition, it was seen that chemical coagulation has any effect for boron removal from boron-containing solution. At optimum conditions (e.g. pH 8.0 and aluminum dose of 7.45 g/L), boron removal efficiencies for electrocoagulation and chemical coagulation were 94.0% and 24.0%, respectively.

  20. A quantitative comparison between electrocoagulation and chemical coagulation for boron removal from boron-containing solution.

    Science.gov (United States)

    Yilmaz, A Erdem; Boncukcuoğlu, Recep; Kocakerim, M Muhtar

    2007-10-22

    This paper provides a quantitative comparison of electrocoagulation and chemical coagulation approaches based on boron removal. Electrocoagulation process delivers the coagulant in situ as the sacrificial anode corrodes, due to a fixed current density, while the simultaneous evolution of hydrogen at the cathode allows for pollutant removal by flotation. By comparison, conventional chemical coagulation typically adds a salt of the coagulant, with settling providing the primary pollutant removal path. Chemical coagulation was carried out via jar tests using aluminum chloride. Comparison was done with the same amount of coagulant between electrocoagulation and chemical coagulation processes. Boron removal obtained was higher with electrocoagulation process. In addition, it was seen that chemical coagulation has any effect for boron removal from boron-containing solution. At optimum conditions (e.g. pH 8.0 and aluminum dose of 7.45 g/L), boron removal efficiencies for electrocoagulation and chemical coagulation were 94.0% and 24.0%, respectively.

  1. Combination and Integration of Qualitative and Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Philipp Mayring

    2001-02-01

    Full Text Available In this paper, I am going to outline ways of combining qualitative and quantitative steps of analysis on five levels. On the technical level, programs for the computer-aided analysis of qualitative data offer various combinations. Where the data are concerned, the employment of categories (for instance by using qualitative content analysis allows for combining qualitative and quantitative forms of data analysis. On the individual level, the creation of types and the inductive generalisation of cases allow for proceeding from individual case material to quantitative generalisations. As for research design, different models can be distinguished (preliminary study, generalisation, elaboration, triangulation which combine qualitative and quantitative steps of analysis. Where the logic of research is concerned, it can be shown that an extended process model which combined qualitative and quantitative research can be appropriate and thus lead to an integration of the two approaches. URN: urn:nbn:de:0114-fqs010162

  2. Quantitative colorimetric-imaging analysis of nickel in iron meteorites.

    Science.gov (United States)

    Zamora, L Lahuerta; López, P Alemán; Fos, G M Antón; Algarra, R Martín; Romero, A M Mellado; Calatayud, J Martínez

    2011-02-15

    A quantitative analytical imaging approach for determining the nickel content of metallic meteorites is proposed. The approach uses a digital image of a series of standard solutions of the nickel-dimethylglyoxime coloured chelate and a meteorite sample solution subjected to the same treatment as the nickel standards for quantitation. The image is processed with suitable software to assign a colour-dependent numerical value (analytical signal) to each standard. Such a value is directly proportional to the analyte concentration, which facilitates construction of a calibration graph where the value for the unknown sample can be interpolated to calculate the nickel content of the meteorite. The results thus obtained were validated by comparison with the official, ISO-endorsed spectrophotometric method for nickel. The proposed method is fairly simple and inexpensive; in fact, it uses a commercially available digital camera as measuring instrument and the images it provides are processed with highly user-friendly public domain software (specifically, ImageJ, developed by the National Institutes of Health and freely available for download on the Internet). In a scenario dominated by increasingly sophisticated and expensive equipment, the proposed method provides a cost-effective alternative based on simple, robust hardware that is affordable and can be readily accessed worldwide. This can be especially advantageous for countries were available resources for analytical equipment investments are scant. The proposed method is essentially an adaptation of classical chemical analysis to current, straightforward, robust, cost-effective instrumentation.

  3. Silicon sheet growth development for the large area silicon sheet task of the low cost solar array project. Quantitative analysis of defects in silicon

    Science.gov (United States)

    Natesh, R.

    1978-01-01

    The various steps involved in obtaining quantitative information of structural defects in crystalline silicon samples are described. Procedures discussed include: (1) chemical polishing; (2) chemical etching; and (3) automated image analysis of samples on the QTM 720 System.

  4. Some Epistemological Considerations Concerning Quantitative Analysis

    Science.gov (United States)

    Dobrescu, Emilian

    2008-01-01

    This article presents the author's address at the 2007 "Journal of Applied Quantitative Methods" ("JAQM") prize awarding festivity. The festivity was included in the opening of the 4th International Conference on Applied Statistics, November 22, 2008, Bucharest, Romania. In the address, the author reflects on three theses that…

  5. A GC-FID method for quantitative analysis of N,N-carbonyldiimidazole.

    Science.gov (United States)

    Lee, Claire; Mangion, Ian

    2016-03-20

    N,N-Carbonyldiimidazole (CDI), a common synthetic reagent used in commercial scale pharmaceutical synthesis, is known to be sensitive to hydrolysis from ambient moisture. This liability demands a simple, robust analytical method to quantitatively determine reagent quality to ensure reproducible performance in chemical reactions. This work describes a protocol for a rapid GC-FID based analysis of CDI.

  6. Energy Dispersive Spectrometry and Quantitative Analysis Short Course. Introduction to X-ray Energy Dispersive Spectrometry and Quantitative Analysis

    Science.gov (United States)

    Carpenter, Paul; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    This course will cover practical applications of the energy-dispersive spectrometer (EDS) to x-ray microanalysis. Topics covered will include detector technology, advances in pulse processing, resolution and performance monitoring, detector modeling, peak deconvolution and fitting, qualitative and quantitative analysis, compositional mapping, and standards. An emphasis will be placed on use of the EDS for quantitative analysis, with discussion of typical problems encountered in the analysis of a wide range of materials and sample geometries.

  7. Structural and quantitative analysis of Equisetum alkaloids.

    Science.gov (United States)

    Cramer, Luise; Ernst, Ludger; Lubienski, Marcus; Papke, Uli; Schiebel, Hans-Martin; Jerz, Gerold; Beuerle, Till

    2015-08-01

    Equisetum palustre L. is known for its toxicity for livestock. Several studies in the past addressed the isolation and identification of the responsible alkaloids. So far, palustrine (1) and N(5)-formylpalustrine (2) are known alkaloids of E. palustre. A HPLC-ESI-MS/MS method in combination with simple sample work-up was developed to identify and quantitate Equisetum alkaloids. Besides the two known alkaloids six related alkaloids were detected in different Equisetum samples. The structure of the alkaloid palustridiene (3) was derived by comprehensive 1D and 2D NMR experiments. N(5)-Acetylpalustrine (4) was also thoroughly characterized by NMR for the first time. The structure of N(5)-formylpalustridiene (5) is proposed based on mass spectrometry results. Twenty-two E. palustre samples were screened by a HPLC-ESI-MS/MS method after development of a simple sample work-up and in most cases the set of all eight alkaloids were detected in all parts of the plant. A high variability of the alkaloid content and distribution was found depending on plant organ, plant origin and season ranging from 88 to 597mg/kg dried weight. However, palustrine (1) and the alkaloid palustridiene (3) always represented the main alkaloids. For the first time, a comprehensive identification, quantitation and distribution of Equisetum alkaloids was achieved.

  8. China ASON Network Migration Scenarios and Their Quantitative Analysis

    Institute of Scientific and Technical Information of China (English)

    Soichiro; Araki; Itaru; Nishioka; Yoshihiko; Suemura

    2003-01-01

    This paper proposes two migration scenarios from China ring networks to ASON mesh networks. In our quantitative analysis with ASON/GMPLS simulator, a subnetwork protection scheme achieved best balanced performance in resource utilization and restoration time.

  9. China ASON Network Migration Scenarios and Their Quantitative Analysis

    Institute of Scientific and Technical Information of China (English)

    Guoying Zhang; Soichiro Araki; Itaru Nishioka; Yoshihiko Suemura

    2003-01-01

    This paper proposes two migration scenarios from China rin g networks to ASON mesh networks . In our quantitative analysis with ASON/GMPLS simulator, a subnetwork protection scheme achieved best balanced performance in resource utilization and restoration time.

  10. Quantitative data analysis in education a critical introduction using SPSS

    CERN Document Server

    Connolly, Paul

    2007-01-01

    This book provides a refreshing and user-friendly guide to quantitative data analysis in education for students and researchers. It assumes absolutely no prior knowledge of quantitative methods or statistics. Beginning with the very basics, it provides the reader with the knowledge and skills necessary to be able to undertake routine quantitative data analysis to a level expected of published research. Rather than focusing on teaching statistics through mathematical formulae, the book places an emphasis on using SPSS to gain a real feel for the data and an intuitive grasp of t

  11. Joint association analysis of bivariate quantitative and qualitative traits.

    Science.gov (United States)

    Yuan, Mengdie; Diao, Guoqing

    2011-11-29

    Univariate genome-wide association analysis of quantitative and qualitative traits has been investigated extensively in the literature. In the presence of correlated phenotypes, it is more intuitive to analyze all phenotypes simultaneously. We describe an efficient likelihood-based approach for the joint association analysis of quantitative and qualitative traits in unrelated individuals. We assume a probit model for the qualitative trait, under which an unobserved latent variable and a prespecified threshold determine the value of the qualitative trait. To jointly model the quantitative and qualitative traits, we assume that the quantitative trait and the latent variable follow a bivariate normal distribution. The latent variable is allowed to be correlated with the quantitative phenotype. Simultaneous modeling of the quantitative and qualitative traits allows us to make more precise inference on the pleiotropic genetic effects. We derive likelihood ratio tests for the testing of genetic effects. An application to the Genetic Analysis Workshop 17 data is provided. The new method yields reasonable power and meaningful results for the joint association analysis of the quantitative trait Q1 and the qualitative trait disease status at SNPs with not too small MAF.

  12. Quantitative Chemical-Genetic Interaction Map Connects Gene Alterations to Drug Responses | Office of Cancer Genomics

    Science.gov (United States)

    In a recent Cancer Discovery report, CTD2 researchers at the University of California in San Francisco developed a new quantitative chemical-genetic interaction mapping approach to evaluate drug sensitivity or resistance in isogenic cell lines. Performing a high-throughput screen with isogenic cell lines allowed the researchers to explore the impact of a panel of emerging and established drugs on cells overexpressing a single cancer-associated gene in isolation.

  13. Quantitative Models and Analysis for Reactive Systems

    DEFF Research Database (Denmark)

    Thrane, Claus

    phones and websites. Acknowledging that now more than ever, systems come in contact with the physical world, we need to revise the way we construct models and verification algorithms, to take into account the behavior of systems in the presence of approximate, or quantitative information, provided......, allowing verification procedures to quantify judgements, on how suitable a model is for a given specification — hence mitigating the usual harsh distinction between satisfactory and non-satisfactory system designs. This information, among other things, allows us to evaluate the robustness of our framework......, by studying how small changes to our models affect the verification results. A key source of motivation for this work can be found in The Embedded Systems Design Challenge [HS06] posed by Thomas A. Henzinger and Joseph Sifakis. It contains a call for advances in the state-of-the-art of systems verification...

  14. Towards a quantitative OCT image analysis.

    Directory of Open Access Journals (Sweden)

    Marina Garcia Garrido

    Full Text Available Optical coherence tomography (OCT is an invaluable diagnostic tool for the detection and follow-up of retinal pathology in patients and experimental disease models. However, as morphological structures and layering in health as well as their alterations in disease are complex, segmentation procedures have not yet reached a satisfactory level of performance. Therefore, raw images and qualitative data are commonly used in clinical and scientific reports. Here, we assess the value of OCT reflectivity profiles as a basis for a quantitative characterization of the retinal status in a cross-species comparative study.Spectral-Domain Optical Coherence Tomography (OCT, confocal Scanning-Laser Ophthalmoscopy (SLO, and Fluorescein Angiography (FA were performed in mice (Mus musculus, gerbils (Gerbillus perpadillus, and cynomolgus monkeys (Macaca fascicularis using the Heidelberg Engineering Spectralis system, and additional SLOs and FAs were obtained with the HRA I (same manufacturer. Reflectivity profiles were extracted from 8-bit greyscale OCT images using the ImageJ software package (http://rsb.info.nih.gov/ij/.Reflectivity profiles obtained from OCT scans of all three animal species correlated well with ex vivo histomorphometric data. Each of the retinal layers showed a typical pattern that varied in relative size and degree of reflectivity across species. In general, plexiform layers showed a higher level of reflectivity than nuclear layers. A comparison of reflectivity profiles from specialized retinal regions (e.g. visual streak in gerbils, fovea in non-human primates with respective regions of human retina revealed multiple similarities. In a model of Retinitis Pigmentosa (RP, the value of reflectivity profiles for the follow-up of therapeutic interventions was demonstrated.OCT reflectivity profiles provide a detailed, quantitative description of retinal layers and structures including specialized retinal regions. Our results highlight the

  15. Ozonized oils: a qualitative and quantitative analysis.

    Science.gov (United States)

    Guinesi, Adriana Simionatto; Andolfatto, Carolina; Bonetti Filho, Idomeo; Cardoso, Arnaldo Alves; Passaretti Filho, Juliano; Farac, Roberta Vieira

    2011-01-01

    Most of the problems of endodontic origin have a bacterial etiological agent. Thus, there is a continued interest in seeking more effective chemical substances that can replace the camphorated paramonochiorophenol or antibiotics as intracanal medicaments. Among the possible substances, ozone has some interesting biological characteristics: bactericidal action, debriding effect, angiogenesis stimulation capacity and high oxidizing power. The purpose of this study was to chemically evaluate the presence of ozone in sunflower, castor, olive and almond oil, as well as in propylene glycol and byproducts of ozonation, such as formaldehyde. These compounds were ozonized, inserted into empty and sterile vials, and analyzed by testing the reaction between ozone and indigo, for determining the presence of ozone, and subjected to the chromotropic acid test for determining the presence of formaldehyde. It was observed complete absence of ozone in all samples tested and presence of formaldehyde. The bactericidal and healing action of ozonized oils could be attributed to products formed by the ozonation of mineral oils, such as formaldehyde, not to the ozone itself.

  16. Multiple quantitative trait analysis using bayesian networks.

    Science.gov (United States)

    Scutari, Marco; Howell, Phil; Balding, David J; Mackay, Ian

    2014-09-01

    Models for genome-wide prediction and association studies usually target a single phenotypic trait. However, in animal and plant genetics it is common to record information on multiple phenotypes for each individual that will be genotyped. Modeling traits individually disregards the fact that they are most likely associated due to pleiotropy and shared biological basis, thus providing only a partial, confounded view of genetic effects and phenotypic interactions. In this article we use data from a Multiparent Advanced Generation Inter-Cross (MAGIC) winter wheat population to explore Bayesian networks as a convenient and interpretable framework for the simultaneous modeling of multiple quantitative traits. We show that they are equivalent to multivariate genetic best linear unbiased prediction (GBLUP) and that they are competitive with single-trait elastic net and single-trait GBLUP in predictive performance. Finally, we discuss their relationship with other additive-effects models and their advantages in inference and interpretation. MAGIC populations provide an ideal setting for this kind of investigation because the very low population structure and large sample size result in predictive models with good power and limited confounding due to relatedness.

  17. Quantitative produced water analysis using mobile 1H NMR

    Science.gov (United States)

    Wagner, Lisabeth; Kalli, Chris; Fridjonsson, Einar O.; May, Eric F.; Stanwix, Paul L.; Graham, Brendan F.; Carroll, Matthew R. J.; Johns, Michael L.

    2016-10-01

    Measurement of oil contamination of produced water is required in the oil and gas industry to the (ppm) level prior to discharge in order to meet typical environmental legislative requirements. Here we present the use of compact, mobile 1H nuclear magnetic resonance (NMR) spectroscopy, in combination with solid phase extraction (SPE), to meet this metrology need. The NMR hardware employed featured a sufficiently homogeneous magnetic field, such that chemical shift differences could be used to unambiguously differentiate, and hence quantitatively detect, the required oil and solvent NMR signals. A solvent system consisting of 1% v/v chloroform in tetrachloroethylene was deployed, this provided a comparable 1H NMR signal intensity for the oil and the solvent (chloroform) and hence an internal reference 1H signal from the chloroform resulting in the measurement being effectively self-calibrating. The measurement process was applied to water contaminated with hexane or crude oil over the range 1-30 ppm. The results were validated against known solubility limits as well as infrared analysis and gas chromatography.

  18. Quantitative analysis of 3-OH oxylipins in fermentation yeast.

    Science.gov (United States)

    Potter, Greg; Xia, Wei; Budge, Suzanne M; Speers, R Alex

    2017-02-01

    Despite the ubiquitous distribution of oxylipins in plants, animals, and microbes, and the application of numerous analytical techniques to study these molecules, 3-OH oxylipins have never been quantitatively assayed in yeasts. The formation of heptafluorobutyrate methyl ester derivatives and subsequent analysis with gas chromatography - negative chemical ionization - mass spectrometry allowed for the first determination of yeast 3-OH oxylipins. The concentration of 3-OH 10:0 (0.68-4.82 ng/mg dry cell mass) in the SMA strain of Saccharomyces pastorianus grown in laboratory-scale beverage fermentations was elevated relative to oxylipin concentrations in plant tissues and macroalgae. In fermenting yeasts, the onset of 3-OH oxylipin formation has been related to fermentation progression and flocculation initiation. When the SMA strain was grown in laboratory-scale fermentations, the maximal sugar consumption rate preceded the lowest concentration of 3-OH 10:0 by ∼4.5 h and a distinct increase in 3-OH 10:0 concentration by ∼16.5 h.

  19. Applied quantitative analysis in the social sciences

    CERN Document Server

    Petscher, Yaacov; Compton, Donald L

    2013-01-01

    To say that complex data analyses are ubiquitous in the education and social sciences might be an understatement. Funding agencies and peer-review journals alike require that researchers use the most appropriate models and methods for explaining phenomena. Univariate and multivariate data structures often require the application of more rigorous methods than basic correlational or analysis of variance models. Additionally, though a vast set of resources may exist on how to run analysis, difficulties may be encountered when explicit direction is not provided as to how one should run a model

  20. Quantitative analysis of probabilistic BPMN workflows

    DEFF Research Database (Denmark)

    Herbert, Luke Thomas; Sharp, Robin

    2012-01-01

    We present a framework for modelling and analysis of realworld business workflows. We present a formalised core subset of the Business Process Modelling and Notation (BPMN) and then proceed to extend this language with probabilistic nondeterministic branching and general-purpose reward annotations...... of events, reward-based properties and best- and worst- case scenarios. We develop a simple example of medical workflow and demonstrate the utility of this analysis in accurate provisioning of drug stocks. Finally, we suggest a path to building upon these techniques to cover the entire BPMN language, allow...

  1. The quantitative failure of human reliability analysis

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, C.T.

    1995-07-01

    This philosophical treatise argues the merits of Human Reliability Analysis (HRA) in the context of the nuclear power industry. Actually, the author attacks historic and current HRA as having failed in informing policy makers who make decisions based on risk that humans contribute to systems performance. He argues for an HRA based on Bayesian (fact-based) inferential statistics, which advocates a systems analysis process that employs cogent heuristics when using opinion, and tempers itself with a rational debate over the weight given subjective and empirical probabilities.

  2. Analysis of archaeological ceramics by total-reflection X-ray fluorescence: Quantitative approaches

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Ruiz, R. [Servicio Interdepartamental de Investigacion, Facultad de Ciencias, Universidad Autonoma de Madrid, Modulo C-9, Laboratorio de TXRF, Crta. Colmenar, Km 15, Cantoblanco, E-28049, Madrid (Spain)], E-mail: ramon.fernandez@uam.es; Garcia-Heras, M. [Grupo de Arqueometria de Vidrios y Materiales Ceramicos, Instituto de Historia, Centro de Ciencias Humanas y Sociales, CSIC, C/ Albasanz, 26-28, 28037 Madrid (Spain)

    2008-09-15

    This paper reports the quantitative methodologies developed for the compositional characterization of archaeological ceramics by total-reflection X-ray fluorescence at two levels. A first quantitative level which comprises an acid leaching procedure, and a second selective level, which seeks to increase the number of detectable elements by eliminating the iron present in the acid leaching procedure. Total-reflection X-ray fluorescence spectrometry has been compared, at a quantitative level, with Instrumental Neutron Activation Analysis in order to test its applicability to the study of this kind of materials. The combination of a solid chemical homogenization procedure previously reported with the quantitative methodologies here presented allows the total-reflection X-ray fluorescence to analyze 29 elements with acceptable analytical recoveries and accuracies.

  3. Quantitative analysis of cascade impactor samples - revisited

    Science.gov (United States)

    Orlić , I.; Chiam, S. Y.; Sanchez, J. L.; Tang, S. M.

    1999-04-01

    Concentrations of aerosols collected in Singapore during the three months long haze period that affected the whole South-East Asian region in 1997 are reported. Aerosol samples were continuously collected by using a fine aerosol sampler (PM2.5) and occasionally with a single orifice cascade impactor (CI) sampler. Our results show that in the fine fraction (<2.5 μm) the concentrations of two well-known biomass burning products, i.e. K and S were generally increased by a factor 2-3 compared to the non-hazy periods. However, a discrepancy was noticed, at least for elements with lower atomic number (Ti and below) between the results obtained by the fine aerosol sampler and the cascade impactor. Careful analysis by means of Nuclear Microscopy, in particular by the Scanning Transmission Ion Microscopy (STIM) technique, revealed that thicknesses of the lower CI stages exceeded thick target limits for 2 MeV protons. Detailed depth profiles of all CI stages were therefore measured using the STIM technique and concentrations corrected for absorption and proton energy loss. After correcting results for the actual sample thickness, concentrations of all major elements (S, Cl, K, Ca) agreed much better with the PM2.5 results. The importance of implementing thick target corrections in analysis of CI samples, especially those collected in the urban environments, is emphasized. Broad beam PIXE analysis approach is certainly not adequate in these cases.

  4. Optical MEMS for chemical analysis and biomedicine

    CERN Document Server

    Jiang, Hongrui

    2016-01-01

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

  5. A Comparative Assessment of Greek Universities' Efficiency Using Quantitative Analysis

    Science.gov (United States)

    Katharaki, Maria; Katharakis, George

    2010-01-01

    In part due to the increased demand for higher education, typical evaluation frameworks for universities often address the key issue of available resource utilisation. This study seeks to estimate the efficiency of 20 public universities in Greece through quantitative analysis (including performance indicators, data envelopment analysis (DEA) and…

  6. Event History Analysis in Quantitative Genetics

    DEFF Research Database (Denmark)

    Maia, Rafael Pimentel

    Event history analysis is a clas of statistical methods specially designed to analyze time-to-event characteristics, e.g. the time until death. The aim of the thesis was to present adequate multivariate versions of mixed survival models that properly represent the genetic aspects related to a given...... time-to-event characteristic of interest. Real genetic longevity studies based on female animals of different species (sows, dairy cows, and sheep) exemplifies the use of the methods. Moreover these studies allow to understand som genetic mechanisms related to the lenght of the productive life...

  7. QUANTITATIVE ANALYSIS OF DRAWING TUBES MICROSTRUCTURE

    Directory of Open Access Journals (Sweden)

    Maroš Martinkovič

    2009-05-01

    Full Text Available Final properties of forming pieces are affected by production, at first conditions of mechanical working. Application of stereology methods to statistic reconstruction of three-dimensional plastic deformed material structure by bulk forming led to detail analysis of material structure changes. The microstructure of cold drawing tubes from STN 411353 steel was analyzed. Grain boundaries orientation was measured on perpendicular and parallel section of tubes with different degree of deformation. Macroscopic deformation leads to grain boundaries deformation and these ones were compared.

  8. Financial indicators for municipalities: a quantitative analysis

    Directory of Open Access Journals (Sweden)

    Sreĉko Devjak

    2009-12-01

    Full Text Available From the characterization of Local Authority financing models and structures in Portugal and Slovenia, a set of financial and generic budget indicators has been established. These indicators may be used in a comparative analysis considering the Bragança District in Portugal, and municipalities of similar population size in Slovenia. The research identified significant differences, in terms of financing sources due to some discrepancies on financial models and competences of municipalities on each country. The results show that Portuguese and Slovenian municipalities, in 2003, for the economy indicator, had similar ranking behaviour, but in 2004, they changed this behaviour.

  9. Segmentation and Quantitative Analysis of Epithelial Tissues.

    Science.gov (United States)

    Aigouy, Benoit; Umetsu, Daiki; Eaton, Suzanne

    2016-01-01

    Epithelia are tissues that regulate exchanges with the environment. They are very dynamic and can acquire virtually any shape; at the cellular level, they are composed of cells tightly connected by junctions. Most often epithelia are amenable to live imaging; however, the large number of cells composing an epithelium and the absence of informatics tools dedicated to epithelial analysis largely prevented tissue scale studies. Here we present Tissue Analyzer, a free tool that can be used to segment and analyze epithelial cells and monitor tissue dynamics.

  10. Functional Analysis for Chemical Engineers.

    Science.gov (United States)

    Ramkrishna, D.

    1979-01-01

    Described is a graduate level engineering course on functional analysis offered at Purdue University. The course restricts itself to linear problems, specifically analysis of linear operators on vector spaces. Key applications in the course demonstrating the utility of abstract formulations are presented. (BT)

  11. Structural model analysis of multiple quantitative traits.

    Directory of Open Access Journals (Sweden)

    Renhua Li

    2006-07-01

    Full Text Available We introduce a method for the analysis of multilocus, multitrait genetic data that provides an intuitive and precise characterization of genetic architecture. We show that it is possible to infer the magnitude and direction of causal relationships among multiple correlated phenotypes and illustrate the technique using body composition and bone density data from mouse intercross populations. Using these techniques we are able to distinguish genetic loci that affect adiposity from those that affect overall body size and thus reveal a shortcoming of standardized measures such as body mass index that are widely used in obesity research. The identification of causal networks sheds light on the nature of genetic heterogeneity and pleiotropy in complex genetic systems.

  12. Quantitative Analysis of Seismicity in Iran

    Science.gov (United States)

    Raeesi, Mohammad; Zarifi, Zoya; Nilfouroushan, Faramarz; Boroujeni, Samar Amini; Tiampo, Kristy

    2016-12-01

    We use historical and recent major earthquakes and GPS geodetic data to compute seismic strain rate, geodetic slip deficit, static stress drop, the parameters of the magnitude-frequency distribution and geodetic strain rate in the Iranian Plateau to identify seismically mature fault segments and regions. Our analysis suggests that 11 fault segments are in the mature stage of the earthquake cycle, with the possibility of generating major earthquakes. These faults primarily are located in the north and the east of Iran. Four seismically mature regions in southern Iran with the potential for damaging strong earthquakes are also identified. We also delineate four additional fault segments in Iran that can generate major earthquakes without robust clues to their maturity.The most important fault segment in this study is the strike-slip system near the capital city of Tehran, with the potential to cause more than one million fatalities.

  13. Quantitative Analysis of Seismicity in Iran

    Science.gov (United States)

    Raeesi, Mohammad; Zarifi, Zoya; Nilfouroushan, Faramarz; Boroujeni, Samar Amini; Tiampo, Kristy

    2017-03-01

    We use historical and recent major earthquakes and GPS geodetic data to compute seismic strain rate, geodetic slip deficit, static stress drop, the parameters of the magnitude-frequency distribution and geodetic strain rate in the Iranian Plateau to identify seismically mature fault segments and regions. Our analysis suggests that 11 fault segments are in the mature stage of the earthquake cycle, with the possibility of generating major earthquakes. These faults primarily are located in the north and the east of Iran. Four seismically mature regions in southern Iran with the potential for damaging strong earthquakes are also identified. We also delineate four additional fault segments in Iran that can generate major earthquakes without robust clues to their maturity.The most important fault segment in this study is the strike-slip system near the capital city of Tehran, with the potential to cause more than one million fatalities.

  14. Uncertainty of quantitative microbiological methods of pharmaceutical analysis.

    Science.gov (United States)

    Gunar, O V; Sakhno, N G

    2015-12-30

    The total uncertainty of quantitative microbiological methods, used in pharmaceutical analysis, consists of several components. The analysis of the most important sources of the quantitative microbiological methods variability demonstrated no effect of culture media and plate-count techniques in the estimation of microbial count while the highly significant effect of other factors (type of microorganism, pharmaceutical product and individual reading and interpreting errors) was established. The most appropriate method of statistical analysis of such data was ANOVA which enabled not only the effect of individual factors to be estimated but also their interactions. Considering all the elements of uncertainty and combining them mathematically the combined relative uncertainty of the test results was estimated both for method of quantitative examination of non-sterile pharmaceuticals and microbial count technique without any product. These data did not exceed 35%, appropriated for a traditional plate count methods.

  15. Spectroscopic Chemical Analysis Methods and Apparatus

    Science.gov (United States)

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

    2017-01-01

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

  16. Quantitative analysis of forest fire extinction efficiency

    Directory of Open Access Journals (Sweden)

    Miguel E. Castillo-Soto

    2015-08-01

    Full Text Available Aim of study: Evaluate the economic extinction efficiency of forest fires, based on the study of fire combat undertaken by aerial and terrestrial means. Area of study, materials and methods: Approximately 112,000 hectares in Chile. Records of 5,876 forest fires that occurred between 1998 and 2009 were analyzed. The area further provides a validation sector for results, by incorporating databases for the years 2010 and 2012. The criteria used for measuring extinction efficiency were economic value of forestry resources, Contraction Factor analysis and definition of the extinction costs function. Main results: It is possible to establish a relationship between burnt area, extinction costs and economic losses. The method proposed may be used and adapted to other fire situations, requiring unit costs for aerial and terrestrial operations, economic value of the property to be protected and speed attributes of fire spread in free advance. Research highlights: The determination of extinction efficiency in containment works of forest fires and potential projection of losses, different types of plant fuel and local conditions favoring the spread of fire broaden the admissible ranges of a, φ and Ce considerably.

  17. Study of rosin-glycerol esters as microencapsulating materials. II. Quantitative correlation between physico-chemical properties and release characteristics.

    Science.gov (United States)

    Pathak, Y V; Rao, M N; Dorle, A K

    1985-01-01

    Rosin-glycerol esters have been used as microencapsulating materials. A quantitative correlation has been observed between the physico-chemical properties, i.e. acid value and moisture affinity, and the release characteristics from the encapsulated drug.

  18. Toxicity challenges in environmental chemicals: Prediction of human plasma protein binding through quantitative structure-activity relationship (QSAR) models

    Science.gov (United States)

    The present study explores the merit of utilizing available pharmaceutical data to construct a quantitative structure-activity relationship (QSAR) for prediction of the fraction of a chemical unbound to plasma protein (Fub) in environmentally relevant compounds. Independent model...

  19. Quantitative methods for the analysis of electron microscope images

    DEFF Research Database (Denmark)

    Skands, Peter Ulrik Vallø

    1996-01-01

    The topic of this thesis is an general introduction to quantitative methods for the analysis of digital microscope images. The images presented are primarily been acquired from Scanning Electron Microscopes (SEM) and interfermeter microscopes (IFM). The topic is approached though several examples...... foundation of the thesis fall in the areas of: 1) Mathematical Morphology; 2) Distance transforms and applications; and 3) Fractal geometry. Image analysis opens in general the possibility of a quantitative and statistical well founded measurement of digital microscope images. Herein lies also the conditions...

  20. Quantitative and Qualitative Analysis of Surface Modified Cellulose Utilizing TGA-MS

    OpenAIRE

    Daniel Loof; Matthias Hiller; Hartmut Oschkinat; Katharina Koschek

    2016-01-01

    With the aim to enhance interfacial adhesion of a hydrophobic polymer matrix and cellulosic fibers and fillers, chemical surface modifications with silane coupling agents are performed. Thermogravimetric analysis (TGA) could be used to determine the degree of surface functionalization. However, similar thermal properties of treated and untreated cellulose hamper a precise determination of silane loading. This contribution deals with quantitative determination of silane loading combining both ...

  1. Chemical sensing in process analysis.

    Science.gov (United States)

    Hirschfeld, T; Callis, J B; Kowalski, B R

    1984-10-19

    Improvements in process control, which determine production efficiency and product quality, are critically dependent upon on-line process analysis. The technology of the required instrumentation will be substantially expanded by advances in sensing devices. In the future, the hardware will consist of sensor arrays and miniaturized instruments fabricated by microlithography and silicon micromachining. Chemometrics will be extensively used in software to provide error detection, selfcalibration, and correction as well as multivariate data analysis for the determination of anticipated and unanticipated species. A number of examples of monolithically fabricated sensors now exist and more will be forthcoming as the new paradigms and new tools are widely adopted. A trend toward not only on-line but even in-product sensors is becoming discernible.

  2. 40 CFR 761.253 - Chemical analysis.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Chemical analysis. 761.253 Section 761.253 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... analysis. (a) Extract PCBs from the standard wipe sample collection medium and clean-up the extracted...

  3. Issues in Quantitative Analysis of Ultraviolet Imager (UV) Data: Airglow

    Science.gov (United States)

    Germany, G. A.; Richards, P. G.; Spann, J. F.; Brittnacher, M. J.; Parks, G. K.

    1999-01-01

    The GGS Ultraviolet Imager (UVI) has proven to be especially valuable in correlative substorm, auroral morphology, and extended statistical studies of the auroral regions. Such studies are based on knowledge of the location, spatial, and temporal behavior of auroral emissions. More quantitative studies, based on absolute radiometric intensities from UVI images, require a more intimate knowledge of the instrument behavior and data processing requirements and are inherently more difficult than studies based on relative knowledge of the oval location. In this study, UVI airglow observations are analyzed and compared with model predictions to illustrate issues that arise in quantitative analysis of UVI images. These issues include instrument calibration, long term changes in sensitivity, and imager flat field response as well as proper background correction. Airglow emissions are chosen for this study because of their relatively straightforward modeling requirements and because of their implications for thermospheric compositional studies. The analysis issues discussed here, however, are identical to those faced in quantitative auroral studies.

  4. Rapid quantitative chemical mapping of surfaces with sub-2 nm resolution

    Science.gov (United States)

    Lai, Chia-Yun; Perri, Saverio; Santos, Sergio; Garcia, Ricardo; Chiesa, Matteo

    2016-05-01

    We present a theory that exploits four observables in bimodal atomic force microscopy to produce maps of the Hamaker constant H. The quantitative H maps may be employed by the broader community to directly interpret the high resolution of standard bimodal AFM images as chemical maps while simultaneously quantifying chemistry in the non-contact regime. We further provide a simple methodology to optimize a range of operational parameters for which H is in the closest agreement with the Lifshitz theory in order to (1) simplify data acquisition and (2) generalize the methodology to any set of cantilever-sample systems.We present a theory that exploits four observables in bimodal atomic force microscopy to produce maps of the Hamaker constant H. The quantitative H maps may be employed by the broader community to directly interpret the high resolution of standard bimodal AFM images as chemical maps while simultaneously quantifying chemistry in the non-contact regime. We further provide a simple methodology to optimize a range of operational parameters for which H is in the closest agreement with the Lifshitz theory in order to (1) simplify data acquisition and (2) generalize the methodology to any set of cantilever-sample systems. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00496b

  5. Chemical analysis of aquatic pheromones in fish.

    Science.gov (United States)

    Stewart, Michael; Baker, Cindy F; Sorensen, Peter W

    2013-01-01

    Pheromones are chemicals that pass between members of the same species that have inherent meaning. In the case of fish, pheromones are water-soluble and found in low concentrations. As such, sensitive and selective methods are needed to separate and analyze these pheromones from an environmental matrix that may contain many other chemicals. This chapter describes a generic method used to concentrate and identify these chemicals and two extremely sensitive and selective methods for analysis, namely, mass spectrometry and enzyme-linked immunosorbent assay.

  6. Insights Into Quantitative Biology: analysis of cellular adaptation

    OpenAIRE

    Agoni, Valentina

    2013-01-01

    In the last years many powerful techniques have emerged to measure protein interactions as well as gene expression. Many progresses have been done since the introduction of these techniques but not toward quantitative analysis of data. In this paper we show how to study cellular adaptation and how to detect cellular subpopulations. Moreover we go deeper in analyzing signal transduction pathways dynamics.

  7. Quantitative analysis of microtubule transport in growing nerve processes

    DEFF Research Database (Denmark)

    Ma*, Ytao; Shakiryanova*, Dinara; Vardya, Irina;

    2004-01-01

    the translocation of MT plus ends in the axonal shaft by expressing GFP-EB1 in Xenopus embryo neurons in culture. Formal quantitative analysis of MT assembly/disassembly indicated that none of the MTs in the axonal shaft were rapidly transported. Our results suggest that transport of axonal MTs is not required...

  8. Quantitative numerical analysis of transient IR-experiments on buildings

    Science.gov (United States)

    Maierhofer, Ch.; Wiggenhauser, H.; Brink, A.; Röllig, M.

    2004-12-01

    Impulse-thermography has been established as a fast and reliable tool in many areas of non-destructive testing. In recent years several investigations have been done to apply active thermography to civil engineering. For quantitative investigations in this area of application, finite difference calculations have been performed for systematic studies on the influence of environmental conditions, heating power and time, defect depth and size and thermal properties of the bulk material (concrete). The comparison of simulated and experimental data enables the quantitative analysis of defects.

  9. Quantitative analysis of culture using millions of digitized books.

    Science.gov (United States)

    Michel, Jean-Baptiste; Shen, Yuan Kui; Aiden, Aviva Presser; Veres, Adrian; Gray, Matthew K; Pickett, Joseph P; Hoiberg, Dale; Clancy, Dan; Norvig, Peter; Orwant, Jon; Pinker, Steven; Nowak, Martin A; Aiden, Erez Lieberman

    2011-01-14

    We constructed a corpus of digitized texts containing about 4% of all books ever printed. Analysis of this corpus enables us to investigate cultural trends quantitatively. We survey the vast terrain of 'culturomics,' focusing on linguistic and cultural phenomena that were reflected in the English language between 1800 and 2000. We show how this approach can provide insights about fields as diverse as lexicography, the evolution of grammar, collective memory, the adoption of technology, the pursuit of fame, censorship, and historical epidemiology. Culturomics extends the boundaries of rigorous quantitative inquiry to a wide array of new phenomena spanning the social sciences and the humanities.

  10. Quantitative analysis of culture using millions of digitized books

    Science.gov (United States)

    Michel, Jean-Baptiste; Shen, Yuan Kui; Aiden, Aviva P.; Veres, Adrian; Gray, Matthew K.; Pickett, Joseph P.; Hoiberg, Dale; Clancy, Dan; Norvig, Peter; Orwant, Jon; Pinker, Steven; Nowak, Martin A.; Aiden, Erez Lieberman

    2011-01-01

    We constructed a corpus of digitized texts containing about 4% of all books ever printed. Analysis of this corpus enables us to investigate cultural trends quantitatively. We survey the vast terrain of ‘culturomics’, focusing on linguistic and cultural phenomena that were reflected in the English language between 1800 and 2000. We show how this approach can provide insights about fields as diverse as lexicography, the evolution of grammar, collective memory, the adoption of technology, the pursuit of fame, censorship, and historical epidemiology. ‘Culturomics’ extends the boundaries of rigorous quantitative inquiry to a wide array of new phenomena spanning the social sciences and the humanities. PMID:21163965

  11. Quantitative investigation of red blood cell three-dimensional geometric and chemical changes in the storage lesion using digital holographic microscopy.

    Science.gov (United States)

    Jaferzadeh, Keyvan; Moon, Inkyu

    2015-11-01

    Quantitative phase information obtained by digital holographic microscopy (DHM) can provide new insight into the functions and morphology of single red blood cells (RBCs). Since the functionality of a RBC is related to its three-dimensional (3-D) shape, quantitative 3-D geometric changes induced by storage time can help hematologists realize its optimal functionality period. We quantitatively investigate RBC 3-D geometric changes in the storage lesion using DHM. Our experimental results show that the substantial geometric transformation of the biconcave-shaped RBCs to the spherocyte occurs due to RBC storage lesion. This transformation leads to progressive loss of cell surface area, surface-to-volume ratio, and functionality of RBCs. Furthermore, our quantitative analysis shows that there are significant correlations between chemical and morphological properties of RBCs.

  12. Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium quality spanish aged red wines.

    Science.gov (United States)

    Culleré, Laura; Escudero, Ana; Cacho, Juan; Ferreira, Vicente

    2004-03-24

    The aroma of six premium quality Spanish red wines has been studied by quantitative gas chromatography-olfactometry (GC-O) and techniques of quantitative chemical analysis. The GC-O study revealed the presence of 85 aromatic notes in which 78 odorants were identified, two of which-1-nonen-3-one (temptatively) and 2-acetylpyrazine-are reported in wine for the first time. Forty out of the 82 quantified odorants may be present at concentrations above their odor threshold. The components with the greatest capacity to introduce differences between these wines are ethyl phenols produced by Brettanomyces yeasts (4-ethylphenol, 4-ethyl-2-methoxyphenol, and 4-propyl-2-methoxyphenol), 2,5-dimethyl-4-hydroxy-3(2H)-furanone (furaneol), (Z)-3-hexenol, thiols derived from cysteinic precursors (4-methyl-4-mercaptopentan-2-one, 3-mercaptohexyl acetate, and 3-mercaptohexanol), some components yielded by the wood [(E)-isoeugenol, 4-allyl-2-methoxyphenol, vanillin, 2-methoxyphenol (guaiacol), and (Z)-whiskylactone], and compounds related to the metabolism (2-phenylethanol, ethyl esters of isoacids, 3-methylbutyl acetate) or oxidative degradation of amino acids [phenylacetaldehyde and 4,5-dimethyl-3-hydroxy-2(5H)-furanone (sotolon)]. The correlation between the olfactometric intensities and the quantitative data is, in general, satisfactory if olfactometric differences between the samples are high. However, GC-O fails in detecting quantitative differences in those cases in which the olfactive intensity is very high or if odors elute in areas in which the odor chromatogram is too complex.

  13. A new method for quantitative marking of deposited lithium by chemical treatment on graphite anodes in lithium-ion cells.

    Science.gov (United States)

    Krämer, Yvonne; Birkenmaier, Claudia; Feinauer, Julian; Hintennach, Andreas; Bender, Conrad L; Meiler, Markus; Schmidt, Volker; Dinnebier, Robert E; Schleid, Thomas

    2015-04-13

    A novel approach for the marking of deposited lithium on graphite anodes from large automotive lithium-ion cells (≥6 Ah) is presented. Graphite anode samples were extracted from two different formats (cylindrical and pouch cells) of pristine and differently aged lithium-ion cells. The samples present a variety of anodes with various states of lithium deposition (also known as plating). A chemical modification was performed to metallic lithium deposited on the anode surface due to previous plating with isopropanol (IPA). After this procedure an oxygenated species was detected by scanning electron microscopy (SEM), which later was confirmed as Li2 CO3 by Fourier transform infrared spectroscopy (FTIR) and X-ray powder diffraction (XRPD). A valuation of the covered area by Li2 CO3 was carried out with an image analysis using energy-dispersive X-ray spectroscopy (EDX) and quantitative Rietveld refinement.

  14. Chemical and instrumental approaches to cheese analysis.

    Science.gov (United States)

    Subramanian, Anand; Rodriguez-Saona, Luis

    2010-01-01

    Overcoming the complexity of cheese matrix to reliably analyze cheese composition, flavor, and ripening changes has been a challenge. Several sample isolation or fractionation methods, chemical and enzymatic assays, and instrumental methods have been developed over the decades. While some of the methods are well established standard methods, some still need to be researched and improved. This chapter reviews the chemical and instrumental methods available to determine cheese composition and monitor biochemical events (e.g., glycolysis, lipolysis, and proteolysis) during cheese ripening that lead to the formation of cheese flavor. Chemical and enzymatic methods available for analysis of cheese composition (fat, protein, lactose, salt, nitrogen content, moisture, etc.) are presented. Electrophoretic, chromatographic, and spectroscopic techniques are also reviewed in the light of their application to monitor cheese ripening and flavor compounds. Novel instrumental methods based on Fourier-transform infrared spectroscopy that are currently being researched and applied to cheese analysis are introduced.

  15. Quantitative nanoscale analysis in 3D using electron tomography

    Energy Technology Data Exchange (ETDEWEB)

    Kuebel, Christian [Karlsruhe Institute of Technology, INT, 76344 Eggenstein-Leopoldshafen (Germany)

    2011-07-01

    State-of-the-art electron tomography has been established as a powerful tool to image complex structures with nanometer resolution in 3D. Especially STEM tomography is used extensively in materials science in such diverse areas as catalysis, semiconductor materials, and polymer composites mainly providing qualitative information on morphology, shape and distribution of materials. However, for an increasing number of studies quantitative information, e.g. surface area, fractal dimensions, particle distribution or porosity are needed. A quantitative analysis is typically performed after segmenting the tomographic data, which is one of the main sources of error for the quantification. In addition to noise, systematic errors due to the missing wedge and due to artifacts from the reconstruction algorithm itself are responsible for these segmentation errors and improved algorithms are needed. This presentation will provide an overview of the possibilities and limitations of quantitative nanoscale analysis by electron tomography. Using catalysts and nano composites as applications examples, intensities and intensity variations observed for the 3D volume reconstructed by WBP and SIRT will be quantitatively compared to alternative reconstruction algorithms; implications for quantification of electron (or X-ray) tomographic data will be discussed and illustrated for quantification of particle size distributions, particle correlations, surface area, and fractal dimensions in 3D.

  16. Developing a Semi-Quantitative Occupational Risk Prediction Model for Chemical Exposures and Its Application to a National Chemical Exposure Databank

    Directory of Open Access Journals (Sweden)

    Chiu-Ying Chen

    2013-07-01

    Full Text Available In this study, a semi-quantitative occupational chemical exposure risk prediction model, based on the calculation of exposure hazard indexes, was proposed, corrected, and applied to a national chemical exposure databank. The model comprises one factor used to describe toxicity (i.e., the toxicity index, and two factors used to reflect the exposure potential (i.e., the exposure index and protection deficiency index of workers exposed to chemicals. An expert system was used to correct the above proposed model. By applying the corrected model to data obtained from a national occupational chemical hazard survey program, chemical exposure risks of various manufacturing industries were determined and a national control strategy for the abatement of occupational chemical exposures was proposed. The results of the present study would provide useful information for governmental agencies to allocate their limited resources effectively for reducing chemical exposures of workers.

  17. Quantitative Chemically-Specific Coherent Diffractive Imaging of Buried Interfaces using a Tabletop EUV Nanoscope

    CERN Document Server

    Shanblatt, Elisabeth R; Gardner, Dennis F; Mancini, Giulia F; Karl, Robert M; Tanksalvala, Michael D; Bevis, Charles S; Vartanian, Victor H; Kapteyn, Henry C; Adams, Daniel E; Murnane, Margaret M

    2016-01-01

    Characterizing buried layers and interfaces is critical for a host of applications in nanoscience and nano-manufacturing. Here we demonstrate non-invasive, non-destructive imaging of buried interfaces using a tabletop, extreme ultraviolet (EUV), coherent diffractive imaging (CDI) nanoscope. Copper nanostructures inlaid in SiO2 are coated with 100 nm of aluminum, which is opaque to visible light and thick enough that neither optical microscopy nor atomic force microscopy can image the buried interfaces. Short wavelength (29 nm) high harmonic light can penetrate the aluminum layer, yielding high-contrast images of the buried structures. Moreover, differences in the absolute reflectivity of the interfaces before and after coating reveal the formation of interstitial diffusion and oxidation layers at the Al-Cu and Al-SiO2 boundaries. Finally, we show that EUV CDI provides a unique capability for quantitative, chemically-specific imaging of buried structures, and the material evolution that occurs at these buried ...

  18. Some selected quantitative methods of thermal image analysis in Matlab.

    Science.gov (United States)

    Koprowski, Robert

    2016-05-01

    The paper presents a new algorithm based on some selected automatic quantitative methods for analysing thermal images. It shows the practical implementation of these image analysis methods in Matlab. It enables to perform fully automated and reproducible measurements of selected parameters in thermal images. The paper also shows two examples of the use of the proposed image analysis methods for the area of ​​the skin of a human foot and face. The full source code of the developed application is also provided as an attachment. The main window of the program during dynamic analysis of the foot thermal image.

  19. Quantitative analysis of biopolymers by matrix-assisted laser desorption

    Energy Technology Data Exchange (ETDEWEB)

    Tang, K.; Allman, S.L.; Jones, R.B.; Chen, C.H. (Oak Ridge National Lab., TN (United States))

    1993-08-01

    During the past few years, major efforts have been made to use mass spectrometry to measure biopolymers because of the great potential benefit to biological and medical research. Although the theoretical details of laser desorption and ionization mechanisms of MALDI are not yet fully understood, several models have been presented to explain the production of large biopolymer ions. In brief, it is very difficult to obtain reliable measurements of the absolute quantity of analytes by MALDI. If MALDI is going to become a routine analytical tool, it is obvious that quantitative measurement capability must be pursued. Oligonucleotides and protein samples used in this work were purchased from commercial sources. Nicotinic acid was used as matrix for both types of biopolymers. From this experiment, it is seen that it is difficult to obtain absolute quantitative measurements of biopolymers using MALDI. However, internal calibration with molecules having similar chemical properties can be used to resolve these difficulties. Chemical reactions between biopolymers must be avoided to prevent the destruction of the analyte materials. 10 refs., 8 figs.

  20. An improved quantitative analysis method for plant cortical microtubules.

    Science.gov (United States)

    Lu, Yi; Huang, Chenyang; Wang, Jia; Shang, Peng

    2014-01-01

    The arrangement of plant cortical microtubules can reflect the physiological state of cells. However, little attention has been paid to the image quantitative analysis of plant cortical microtubules so far. In this paper, Bidimensional Empirical Mode Decomposition (BEMD) algorithm was applied in the image preprocessing of the original microtubule image. And then Intrinsic Mode Function 1 (IMF1) image obtained by decomposition was selected to do the texture analysis based on Grey-Level Cooccurrence Matrix (GLCM) algorithm. Meanwhile, in order to further verify its reliability, the proposed texture analysis method was utilized to distinguish different images of Arabidopsis microtubules. The results showed that the effect of BEMD algorithm on edge preserving accompanied with noise reduction was positive, and the geometrical characteristic of the texture was obvious. Four texture parameters extracted by GLCM perfectly reflected the different arrangements between the two images of cortical microtubules. In summary, the results indicate that this method is feasible and effective for the image quantitative analysis of plant cortical microtubules. It not only provides a new quantitative approach for the comprehensive study of the role played by microtubules in cell life activities but also supplies references for other similar studies.

  1. An Improved Quantitative Analysis Method for Plant Cortical Microtubules

    Directory of Open Access Journals (Sweden)

    Yi Lu

    2014-01-01

    Full Text Available The arrangement of plant cortical microtubules can reflect the physiological state of cells. However, little attention has been paid to the image quantitative analysis of plant cortical microtubules so far. In this paper, Bidimensional Empirical Mode Decomposition (BEMD algorithm was applied in the image preprocessing of the original microtubule image. And then Intrinsic Mode Function 1 (IMF1 image obtained by decomposition was selected to do the texture analysis based on Grey-Level Cooccurrence Matrix (GLCM algorithm. Meanwhile, in order to further verify its reliability, the proposed texture analysis method was utilized to distinguish different images of Arabidopsis microtubules. The results showed that the effect of BEMD algorithm on edge preserving accompanied with noise reduction was positive, and the geometrical characteristic of the texture was obvious. Four texture parameters extracted by GLCM perfectly reflected the different arrangements between the two images of cortical microtubules. In summary, the results indicate that this method is feasible and effective for the image quantitative analysis of plant cortical microtubules. It not only provides a new quantitative approach for the comprehensive study of the role played by microtubules in cell life activities but also supplies references for other similar studies.

  2. Data from quantitative label free proteomics analysis of rat spleen

    Directory of Open Access Journals (Sweden)

    Khadar Dudekula

    2016-09-01

    Full Text Available The dataset presented in this work has been obtained using a label-free quantitative proteomic analysis of rat spleen. A robust method for extraction of proteins from rat spleen tissue and LC-MS-MS analysis was developed using a urea and SDS-based buffer. Different fractionation methods were compared. A total of 3484 different proteins were identified from the pool of all experiments run in this study (a total of 2460 proteins with at least two peptides. A total of 1822 proteins were identified from nine non-fractionated pulse gels, 2288 proteins and 2864 proteins were identified by SDS-PAGE fractionation into three and five fractions respectively. The proteomics data are deposited in ProteomeXchange Consortium via PRIDE PXD003520, Progenesis and Maxquant output are presented in the supported information. The generated list of proteins under different regimes of fractionation allow assessing the nature of the identified proteins; variability in the quantitative analysis associated with the different sampling strategy and allow defining a proper number of replicates for future quantitative analysis.

  3. Data from quantitative label free proteomics analysis of rat spleen.

    Science.gov (United States)

    Dudekula, Khadar; Le Bihan, Thierry

    2016-09-01

    The dataset presented in this work has been obtained using a label-free quantitative proteomic analysis of rat spleen. A robust method for extraction of proteins from rat spleen tissue and LC-MS-MS analysis was developed using a urea and SDS-based buffer. Different fractionation methods were compared. A total of 3484 different proteins were identified from the pool of all experiments run in this study (a total of 2460 proteins with at least two peptides). A total of 1822 proteins were identified from nine non-fractionated pulse gels, 2288 proteins and 2864 proteins were identified by SDS-PAGE fractionation into three and five fractions respectively. The proteomics data are deposited in ProteomeXchange Consortium via PRIDE PXD003520, Progenesis and Maxquant output are presented in the supported information. The generated list of proteins under different regimes of fractionation allow assessing the nature of the identified proteins; variability in the quantitative analysis associated with the different sampling strategy and allow defining a proper number of replicates for future quantitative analysis.

  4. Chemical Bond Analysis of Single Crystal Growth of Magnesium Oxide

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Starting from the crystallographic structure of magnesium oxide (MgO), both the chemical bond model of solids and Pauling's third rule (polyhedral sharing rule) were employed to quantitatively analyze the chemical bonding structure of constituent atoms and single crystal growth. Our analytical results show that MgO single crystals prefer to grow along the direction and the growth rate of the {100} plane is the slowest one. Therefore, the results show that the {100} plane of MgO crystals can be the ultimate morphology face, which is in a good agreement with our previous experimental results. The study indicate that the structure analysis is an effective tool to control the single-crystal growth.

  5. Qualitative and quantitative stability analysis of penta-rhythmic circuits

    Science.gov (United States)

    Schwabedal, Justus T. C.; Knapper, Drake E.; Shilnikov, Andrey L.

    2016-12-01

    Inhibitory circuits of relaxation oscillators are often-used models for dynamics of biological networks. We present a qualitative and quantitative stability analysis of such a circuit constituted by three generic oscillators (of a Fitzhugh-Nagumo type) as its nodes coupled reciprocally. Depending on inhibitory strengths, and parameters of individual oscillators, the circuit exhibits polyrhythmicity of up to five simultaneously stable rhythms. With methods of bifurcation analysis and phase reduction, we investigate qualitative changes in stability of these circuit rhythms for a wide range of parameters. Furthermore, we quantify robustness of the rhythms maintained under random perturbations by monitoring phase diffusion in the circuit. Our findings allow us to describe how circuit dynamics relate to dynamics of individual nodes. We also find that quantitative and qualitative stability properties of polyrhythmicity do not always align.

  6. Quantitative and qualitative analysis and interpretation of CT perfusion imaging.

    Science.gov (United States)

    Valdiviezo, Carolina; Ambrose, Marietta; Mehra, Vishal; Lardo, Albert C; Lima, Joao A C; George, Richard T

    2010-12-01

    Coronary artery disease (CAD) remains the leading cause of death in the United States. Rest and stress myocardial perfusion imaging has an important role in the non-invasive risk stratification of patients with CAD. However, diagnostic accuracies have been limited, which has led to the development of several myocardial perfusion imaging techniques. Among them, myocardial computed tomography perfusion imaging (CTP) is especially interesting as it has the unique capability of providing anatomic- as well as coronary stenosis-related functional data when combined with computed tomography angiography (CTA). The primary aim of this article is to review the qualitative, semi-quantitative, and quantitative analysis approaches to CTP imaging. In doing so, we will describe the image data required for each analysis and discuss the advantages and disadvantages of each approach.

  7. Quantitative analysis of myocardial tissue with digital autofluorescence microscopy

    DEFF Research Database (Denmark)

    Jensen, Thomas; Holten-Rossing, Henrik; Svendsen, Ida M H;

    2016-01-01

    BACKGROUND: The opportunity offered by whole slide scanners of automated histological analysis implies an ever increasing importance of digital pathology. To go beyond the importance of conventional pathology, however, digital pathology may need a basic histological starting point similar...... to that of hematoxylin and eosin staining in conventional pathology. This study presents an automated fluorescence-based microscopy approach providing highly detailed morphological data from unstained microsections. This data may provide a basic histological starting point from which further digital analysis including...... staining may benefit. METHODS: This study explores the inherent tissue fluorescence, also known as autofluorescence, as a mean to quantitate cardiac tissue components in histological microsections. Data acquisition using a commercially available whole slide scanner and an image-based quantitation algorithm...

  8. QuantUM: Quantitative Safety Analysis of UML Models

    Directory of Open Access Journals (Sweden)

    Florian Leitner-Fischer

    2011-07-01

    Full Text Available When developing a safety-critical system it is essential to obtain an assessment of different design alternatives. In particular, an early safety assessment of the architectural design of a system is desirable. In spite of the plethora of available formal quantitative analysis methods it is still difficult for software and system architects to integrate these techniques into their every day work. This is mainly due to the lack of methods that can be directly applied to architecture level models, for instance given as UML diagrams. Also, it is necessary that the description methods used do not require a profound knowledge of formal methods. Our approach bridges this gap and improves the integration of quantitative safety analysis methods into the development process. All inputs of the analysis are specified at the level of a UML model. This model is then automatically translated into the analysis model, and the results of the analysis are consequently represented on the level of the UML model. Thus the analysis model and the formal methods used during the analysis are hidden from the user. We illustrate the usefulness of our approach using an industrial strength case study.

  9. TOF-SIMS analysis of polystyrene/polybutadiene blend using chemical derivatization and multivariate analysis

    Science.gov (United States)

    Kono, Teiichiro; Iwase, Eijiro; Kanamori, Yukiko

    2008-12-01

    Chemical imaging with high spatial resolution is one of the features of TOF-SIMS. However, degradation of the sample due to primary ion bombardment becomes problematic when the analysis area is small. Although polystyrene (PS) and polybutadiene (PB) separately show relatively distinct spectra, observation of their phase separation in PS/PB blends is difficult when the analysis area is small because degradation of both polymers and especially PS leads to disappearance of their characteristic peaks, resulting in low chemical image contrast. We therefore investigated the application of various forms of multivariate analysis (MVA) to the TOF-SIMS image data to improve the chemical image contrast. PCA, MCR, and the other forms of MVA provided improvement in contrast, but the images were still obscure and observation of phase separation remained difficult. Chemical derivatization using osmium tetroxide was also investigated, and found to give clear images of phase separation in the PS/PB blend. In quantitative determinations with MVA and chemical derivatization, PLS demonstrated the best predictive capability and chemical derivatization resulted in large deviations from both the bulk chemical composition and the determinations with MVA, particularly in regions of low PB content.

  10. Spatial Quantitation of Drugs in tissues using Liquid Extraction Surface Analysis Mass Spectrometry Imaging.

    Science.gov (United States)

    Swales, John G; Strittmatter, Nicole; Tucker, James W; Clench, Malcolm R; Webborn, Peter J H; Goodwin, Richard J A

    2016-11-24

    Liquid extraction surface analysis mass spectrometry imaging (LESA-MSI) has been shown to be an effective tissue profiling and imaging technique, producing robust and reliable qualitative distribution images of an analyte or analytes in tissue sections. Here, we expand the use of LESA-MSI beyond qualitative analysis to a quantitative analytical technique by employing a mimetic tissue model previously shown to be applicable for MALDI-MSI quantitation. Liver homogenate was used to generate a viable and molecularly relevant control matrix for spiked drug standards which can be frozen, sectioned and subsequently analyzed for the generation of calibration curves to quantify unknown tissue section samples. The effects of extraction solvent composition, tissue thickness and solvent/tissue contact time were explored prior to any quantitative studies in order to optimize the LESA-MSI method across several different chemical entities. The use of a internal standard to normalize regional differences in ionization response across tissue sections was also investigated. Data are presented comparing quantitative results generated by LESA-MSI to LC-MS/MS. Subsequent analysis of adjacent tissue sections using DESI-MSI is also reported.

  11. Spatial Quantitation of Drugs in tissues using Liquid Extraction Surface Analysis Mass Spectrometry Imaging

    Science.gov (United States)

    Swales, John G.; Strittmatter, Nicole; Tucker, James W.; Clench, Malcolm R.; Webborn, Peter J. H.; Goodwin, Richard J. A.

    2016-11-01

    Liquid extraction surface analysis mass spectrometry imaging (LESA-MSI) has been shown to be an effective tissue profiling and imaging technique, producing robust and reliable qualitative distribution images of an analyte or analytes in tissue sections. Here, we expand the use of LESA-MSI beyond qualitative analysis to a quantitative analytical technique by employing a mimetic tissue model previously shown to be applicable for MALDI-MSI quantitation. Liver homogenate was used to generate a viable and molecularly relevant control matrix for spiked drug standards which can be frozen, sectioned and subsequently analyzed for the generation of calibration curves to quantify unknown tissue section samples. The effects of extraction solvent composition, tissue thickness and solvent/tissue contact time were explored prior to any quantitative studies in order to optimize the LESA-MSI method across several different chemical entities. The use of a internal standard to normalize regional differences in ionization response across tissue sections was also investigated. Data are presented comparing quantitative results generated by LESA-MSI to LC-MS/MS. Subsequent analysis of adjacent tissue sections using DESI-MSI is also reported.

  12. Quantitative Proteomic Approaches for Analysis of Protein S-Nitrosylation.

    Science.gov (United States)

    Qu, Zhe; Greenlief, C Michael; Gu, Zezong

    2016-01-01

    S-Nitrosylation is a redox-based post-translational modification of a protein in response to nitric oxide (NO) signaling, and it participates in a variety of processes in diverse biological systems. The significance of this type of protein modification in health and diseases is increasingly recognized. In the central nervous system, aberrant S-nitrosylation, due to excessive NO production, is known to cause protein misfolding, mitochondrial dysfunction, transcriptional dysregulation, and neuronal death. This leads to an altered physiological state and consequently contributes to pathogenesis of neurodegenerative disorders. To date, much effort has been made to understand the mechanisms underlying protein S-nitrosylation, and several approaches have been developed to unveil S-nitrosylated proteins from different organisms. Interest in determining the dynamic changes of protein S-nitrosylation under different physiological and pathophysiological conditions has underscored the need for the development of quantitative proteomic approaches. Currently, both gel-based and gel-free mass spectrometry-based quantitative methods are widely used, and they each have advantages and disadvantages but may also be used together to produce complementary data. This review evaluates current available quantitative proteomic techniques for the analysis of protein S-nitrosylation and highlights recent advances, with emphasis on applications in neurodegenerative diseases. An important goal is to provide a comprehensive guide of feasible quantitative proteomic methodologies for examining protein S-nitrosylation in research to yield insights into disease mechanisms, diagnostic biomarkers, and drug discovery.

  13. Chemical abundance analysis of 19 barium stars

    CERN Document Server

    Yang, G C; Spite, M; Chen, Y Q; Zhao, G; Zhang, B; Liu, G Q; Liu, Y J; Liu, N; Deng, L C; Spite, F; Hill, V; Zhang, C X

    2016-01-01

    We aim at deriving accurate atmospheric parameters and chemical abundances of 19 barium (Ba) stars, including both strong and mild Ba stars, based on the high signal-to-noise ratio and high resolution Echelle spectra obtained from the 2.16 m telescope at Xinglong station of National Astronomical Observatories, Chinese Academy of Sciences. The chemical abundances of the sample stars were obtained from an LTE, plane-parallel and line-blanketed atmospheric model by inputting the atmospheric parameters (effective temperatures, surface gravities, metallicity and microturbulent velocity) and equivalent widths of stellar absorption lines. These samples of Ba stars are giants indicated by atmospheric parameters, metallicities and kinematic analysis about UVW velocity. Chemical abundances of 17 elements were obtained for these Ba stars. Their light elements (O, Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn and Ni) are similar to the solar abundances. Our samples of Ba stars show obvious overabundances of neutron-capture (n-ca...

  14. Quantitative analysis for nonlinear fluorescent spectra based on edges matching

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    A novel spectra-edge-matching approach is proposed for the quantitative analysis of the nonlinear fluorescence spectra of the air impurities excited by a femtosecond laser.The fluorescence spectra are first denoised and compressed,both by wavelet transform,and several peak groups are then picked from each spectrum according to a threshold of intensity and are used to extract the spectral features through principal component analysis.It is indicated that the first two principle components actually cover up to 98% of the total information and are sufficient for the final concentration analysis.The analysis reveals a monotone relationship between the spectra intensity and the concentration of the air impurities,suggesting that the femtosecond laser induced fluorescence spectroscopy along with the proposed spectra analysis method can become a powerful tool for monitoring environmental pollutants.

  15. Quantitative gait analysis following hemispherotomy for Rasmussen′s encephalitis

    Directory of Open Access Journals (Sweden)

    Santhosh George Thomas

    2007-01-01

    Full Text Available Peri-insular hemispherotomy is a form of disconnective hemispherectomy involving complete disconnection of all ascending / descending and commisural connections of one hemisphere. We report a case of a seven and a half year old child with intractable epilepsy due to Rasmussen′s encephalitis who underwent peri-insular hemispherotomy and achieved complete freedom from seizures. Quantitative gait analysis was used to describe the changes in the kinematic and kinetic parameters of gait with surface electromyographs 18 months after surgery. The focus of this paper is to highlight the utility of gait analysis following hemispherotomy with a view to directing postsurgical motor training and rehabilitation.

  16. Mini-Column Ion-Exchange Separation and Atomic Absorption Quantitation of Nickel, Cobalt, and Iron: An Undergraduate Quantitative Analysis Experiment.

    Science.gov (United States)

    Anderson, James L.; And Others

    1980-01-01

    Presents an undergraduate quantitative analysis experiment, describing an atomic absorption quantitation scheme that is fast, sensitive and comparatively simple relative to other titration experiments. (CS)

  17. Quantitative Phosphoproteomic Analysis of T-Cell Receptor Signaling.

    Science.gov (United States)

    Ahsan, Nagib; Salomon, Arthur R

    2017-01-01

    TCR signaling critically depends on protein phosphorylation across many proteins. Localization of each phosphorylation event relative to the T-cell receptor (TCR) and canonical T-cell signaling proteins will provide clues about the structure of TCR signaling networks. Quantitative phosphoproteomic analysis by mass spectrometry provides a wide-scale view of cellular phosphorylation networks. However, analysis of phosphorylation by mass spectrometry is still challenging due to the relative low abundance of phosphorylated proteins relative to all proteins and the extraordinary diversity of phosphorylation sites across the proteome. Highly selective enrichment of phosphorylated peptides is essential to provide the most comprehensive view of the phosphoproteome. Optimization of phosphopeptide enrichment methods coupled with highly sensitive mass spectrometry workflows significantly improves the sequencing depth of the phosphoproteome to over 10,000 unique phosphorylation sites from complex cell lysates. Here we describe a step-by-step method for phosphoproteomic analysis that has achieved widespread success for identification of serine, threonine, and tyrosine phosphorylation. Reproducible quantification of relative phosphopeptide abundance is provided by intensity-based label-free quantitation. An ideal set of mass spectrometry analysis parameters is also provided that optimize the yield of identified sites. We also provide guidelines for the bioinformatic analysis of this type of data to assess the quality of the data and to comply with proteomic data reporting requirements.

  18. A Quantitative Method for Microtubule Analysis in Fluorescence Images.

    Science.gov (United States)

    Lan, Xiaodong; Li, Lingfei; Hu, Jiongyu; Zhang, Qiong; Dang, Yongming; Huang, Yuesheng

    2015-12-01

    Microtubule analysis is of significant value for a better understanding of normal and pathological cellular processes. Although immunofluorescence microscopic techniques have proven useful in the study of microtubules, comparative results commonly rely on a descriptive and subjective visual analysis. We developed an objective and quantitative method based on image processing and analysis of fluorescently labeled microtubular patterns in cultured cells. We used a multi-parameter approach by analyzing four quantifiable characteristics to compose our quantitative feature set. Then we interpreted specific changes in the parameters and revealed the contribution of each feature set using principal component analysis. In addition, we verified that different treatment groups could be clearly discriminated using principal components of the multi-parameter model. High predictive accuracy of four commonly used multi-classification methods confirmed our method. These results demonstrated the effectiveness and efficiency of our method in the analysis of microtubules in fluorescence images. Application of the analytical methods presented here provides information concerning the organization and modification of microtubules, and could aid in the further understanding of structural and functional aspects of microtubules under normal and pathological conditions.

  19. Multivariate analysis of quantitative traits can effectively classify rapeseed germplasm

    Directory of Open Access Journals (Sweden)

    Jankulovska Mirjana

    2014-01-01

    Full Text Available In this study, the use of different multivariate approaches to classify rapeseed genotypes based on quantitative traits has been presented. Tree regression analysis, PCA analysis and two-way cluster analysis were applied in order todescribe and understand the extent of genetic variability in spring rapeseed genotype by trait data. The traits which highly influenced seed and oil yield in rapeseed were successfully identified by the tree regression analysis. Principal predictor for both response variables was number of pods per plant (NP. NP and 1000 seed weight could help in the selection of high yielding genotypes. High values for both traits and oil content could lead to high oil yielding genotypes. These traits may serve as indirect selection criteria and can lead to improvement of seed and oil yield in rapeseed. Quantitative traits that explained most of the variability in the studied germplasm were classified using principal component analysis. In this data set, five PCs were identified, out of which the first three PCs explained 63% of the total variance. It helped in facilitating the choice of variables based on which the genotypes’ clustering could be performed. The two-way cluster analysissimultaneously clustered genotypes and quantitative traits. The final number of clusters was determined using bootstrapping technique. This approach provided clear overview on the variability of the analyzed genotypes. The genotypes that have similar performance regarding the traits included in this study can be easily detected on the heatmap. Genotypes grouped in the clusters 1 and 8 had high values for seed and oil yield, and relatively short vegetative growth duration period and those in cluster 9, combined moderate to low values for vegetative growth duration and moderate to high seed and oil yield. These genotypes should be further exploited and implemented in the rapeseed breeding program. The combined application of these multivariate methods

  20. Quantitative multivariate analysis of dynamic multicellular morphogenic trajectories.

    Science.gov (United States)

    White, Douglas E; Sylvester, Jonathan B; Levario, Thomas J; Lu, Hang; Streelman, J Todd; McDevitt, Todd C; Kemp, Melissa L

    2015-07-01

    Interrogating fundamental cell biology principles that govern tissue morphogenesis is critical to better understanding of developmental biology and engineering novel multicellular systems. Recently, functional micro-tissues derived from pluripotent embryonic stem cell (ESC) aggregates have provided novel platforms for experimental investigation; however elucidating the factors directing emergent spatial phenotypic patterns remains a significant challenge. Computational modelling techniques offer a unique complementary approach to probe mechanisms regulating morphogenic processes and provide a wealth of spatio-temporal data, but quantitative analysis of simulations and comparison to experimental data is extremely difficult. Quantitative descriptions of spatial phenomena across multiple systems and scales would enable unprecedented comparisons of computational simulations with experimental systems, thereby leveraging the inherent power of computational methods to interrogate the mechanisms governing emergent properties of multicellular biology. To address these challenges, we developed a portable pattern recognition pipeline consisting of: the conversion of cellular images into networks, extraction of novel features via network analysis, and generation of morphogenic trajectories. This novel methodology enabled the quantitative description of morphogenic pattern trajectories that could be compared across diverse systems: computational modelling of multicellular structures, differentiation of stem cell aggregates, and gastrulation of cichlid fish. Moreover, this method identified novel spatio-temporal features associated with different stages of embryo gastrulation, and elucidated a complex paracrine mechanism capable of explaining spatiotemporal pattern kinetic differences in ESC aggregates of different sizes.

  1. Micro-PIXE for the quantitative imaging of chemical elements in single cells

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, R. [Univ. Bordeaux, CENBG, Gradignan (France); CNRS, IN2P3, CENBG, Gradignan (France)

    2013-07-01

    Full text: The knowledge of the intracellular distribution of biological relevant metals is important to understand their mechanisms of action in cells, either for physiological, toxicological or pathological processes. However, the direct detection of trace metals in single cells is a challenging task that requires sophisticated analytical developments. The aim of this seminar will be to present the recent achievements in this field using micro-PIXE analysis. The combination of micro-PIXE with RBS (Rutherford Backscattering Spectrometry) and STIM (Scanning Transmission lon Microscopy) allows the quantitative determination of trace metal content within sub-cellular compartments. The application of STlM analysis will be more specifically highlighted as it provides high spatial resolution imaging (<200 nm) and excellent mass sensitivity (<0.1 ng). Application of the STIM-PIXE-RBS methodology is absolutely needed when organic mass loss appears during PIXE-RBS irradiation. This combination of STIM-PIXE-RBS provides fully quantitative determination of trace element content, expressed in μg/g, which is a quite unique capability for micro-PIXE compared to other micro-analytical methods such as the electron and synchrotron X-ray fluorescence or the techniques based on mass spectrometry. Examples of micro-PIXE studies for subcellular imaging of trace elements in the various fields of interest will be presented such as metal-based toxicology, pharmacology, and neuro degeneration [1] R. Ortega, G. Devés, A. Carmona. J. R. Soc. Interface, 6, (2009) S649-S658. (author)

  2. Analysis of quantitative pore features based on mathematical morphology

    Institute of Scientific and Technical Information of China (English)

    QI Heng-nian; CHEN Feng-nong; WANG Hang-jun

    2008-01-01

    Wood identification is a basic technique of wood science and industry. Pore features are among the most important identification features for hardwoods. We have used a method based on an analysis of quantitative pore feature, which differs from traditional qualitative methods. We applies mathematical morphology methods such as dilation and erosion, open and close transformation of wood cross-sections, image repairing, noise filtering and edge detection to segment the pores from their background. Then the mean square errors (MSE) of pores were computed to describe the distribution of pores. Our experiment shows that it is easy to classift the pore features into three basic types, just as in traditional qualitative methods, but with the use of MSE of pores. This quantitative method improves wood identification considerably.

  3. Segregation Analysis on Genetic System of Quantitative Traits in Plants

    Institute of Scientific and Technical Information of China (English)

    Gai Junyi

    2006-01-01

    Based on the traditional polygene inheritance model of quantitative traits,the author suggests the major gene and polygene mixed inheritance model.The model was considered as a general one,while the pure major gene and pure polygene inheritance model was a specific case of the general model.Based on the proposed theory,the author established the segregation analysis procedure to study the genetic system of quantitative traits of plants.At present,this procedure can be used to evaluate the genetic effect of individual major genes (up to two to three major genes),the collective genetic effect of polygene,and their heritability value.This paper introduces how to establish the procedure,its main achievements,and its applications.An example is given to illustrate the steps,methods,and effectiveness of the procedure.

  4. Recovering the primary geochemistry of Jack Hills zircons through quantitative estimates of chemical alteration

    Science.gov (United States)

    Bell, Elizabeth A.; Boehnke, Patrick; Harrison, T. Mark

    2016-10-01

    Despite the robust nature of zircon in most crustal and surface environments, chemical alteration, especially associated with radiation damaged regions, can affect its geochemistry. This consideration is especially important when drawing inferences from the detrital record where the original rock context is missing. Typically, alteration is qualitatively diagnosed through inspection of zircon REE patterns and the style of zoning shown by cathodoluminescence imaging, since fluid-mediated alteration often causes a flat, high LREE pattern. Due to the much lower abundance of LREE in zircon relative both to other crustal materials and to the other REE, disturbance to the LREE pattern is the most likely first sign of disruption to zircon trace element contents. Using a database of 378 (148 new) trace element and 801 (201 new) oxygen isotope measurements on zircons from Jack Hills, Western Australia, we propose a quantitative framework for assessing chemical contamination and exchange with fluids in this population. The Light Rare Earth Element Index is scaled on the relative abundance of light to middle REE, or LREE-I = (Dy/Nd) + (Dy/Sm). LREE-I values vary systematically with other known contaminants (e.g., Fe, P) more faithfully than other suggested proxies for zircon alteration (Sm/La, various absolute concentrations of LREEs) and can be used to distinguish primary compositions when textural evidence for alteration is ambiguous. We find that zircon oxygen isotopes do not vary systematically with placement on or off cracks or with degree of LREE-related chemical alteration, suggesting an essentially primary signature. By omitting zircons affected by LREE-related alteration or contamination by mineral inclusions, we present the best estimate for the primary igneous geochemistry of the Jack Hills zircons. This approach increases the available dataset by allowing for discrimination of on-crack analyses (and analyses with ambiguous or no information on spot placement or

  5. Quantitative Surface Analysis by Xps (X-Ray Photoelectron Spectroscopy: Application to Hydrotreating Catalysts

    Directory of Open Access Journals (Sweden)

    Beccat P.

    1999-07-01

    Full Text Available XPS is an ideal technique to provide the chemical composition of the extreme surface of solid materials, vastly applied to the study of catalysts. In this article, we will show that a quantitative approach, based upon fundamental expression of the XPS signal, has enabled us to obtain a consistent set of response factors for the elements of the periodic table. In-depth spadework has been necessary to know precisely the transmission function of the spectrometer used at IFP. The set of response factors obtained enables to perform, on a routine basis, a quantitative analysis with approximately 20% relative accuracy, which is quite acceptable for an analysis of such a nature. While using this quantitative approach, we have developed an analytical method specific to hydrotreating catalysts that allows obtaining the sulphiding degree of molybdenum quite reliably and reproducibly. The usage of this method is illustrated by two examples for which XPS spectroscopy has provided with information sufficiently accurate and quantitative to help understand the reactivity differences between certain MoS2/Al2O3 or NiMoS/Al2O3-type hydrotreating catalysts.

  6. Quantitative analysis of in vivo confocal microscopy images: a review.

    Science.gov (United States)

    Patel, Dipika V; McGhee, Charles N

    2013-01-01

    In vivo confocal microscopy (IVCM) is a non-invasive method of examining the living human cornea. The recent trend towards quantitative studies using IVCM has led to the development of a variety of methods for quantifying image parameters. When selecting IVCM images for quantitative analysis, it is important to be consistent regarding the location, depth, and quality of images. All images should be de-identified, randomized, and calibrated prior to analysis. Numerous image analysis software are available, each with their own advantages and disadvantages. Criteria for analyzing corneal epithelium, sub-basal nerves, keratocytes, endothelium, and immune/inflammatory cells have been developed, although there is inconsistency among research groups regarding parameter definition. The quantification of stromal nerve parameters, however, remains a challenge. Most studies report lower inter-observer repeatability compared with intra-observer repeatability, and observer experience is known to be an important factor. Standardization of IVCM image analysis through the use of a reading center would be crucial for any future large, multi-centre clinical trials using IVCM.

  7. Quantum Chemical Strain Analysis For Mechanochemical Processes.

    Science.gov (United States)

    Stauch, Tim; Dreuw, Andreas

    2017-03-24

    The use of mechanical force to initiate a chemical reaction is an efficient alternative to the conventional sources of activation energy, i.e., heat, light, and electricity. Applications of mechanochemistry in academic and industrial laboratories are diverse, ranging from chemical syntheses in ball mills and ultrasound baths to direct activation of covalent bonds using an atomic force microscope. The vectorial nature of force is advantageous because specific covalent bonds can be preconditioned for rupture by selective stretching. However, the influence of mechanical force on single molecules is still not understood at a fundamental level, which limits the applicability of mechanochemistry. As a result, many chemists still resort to rules of thumb when it comes to conducting mechanochemical syntheses. In this Account, we show that comprehension of mechanochemistry at the molecular level can be tremendously advanced by quantum chemistry, in particular by using quantum chemical force analysis tools. One such tool is the JEDI (Judgement of Energy DIstribution) analysis, which provides a convenient approach to analyze the distribution of strain energy in a mechanically deformed molecule. Based on the harmonic approximation, the strain energy contribution is calculated for each bond length, bond angle and dihedral angle, thus providing a comprehensive picture of how force affects molecules. This Account examines the theoretical foundations of quantum chemical force analysis and provides a critical overview of the performance of the JEDI analysis in various mechanochemical applications. We explain in detail how this analysis tool is to be used to identify the "force-bearing scaffold" of a distorted molecule, which allows both the rationalization and the optimization of diverse mechanochemical processes. More precisely, we show that the inclusion of every bond, bending and torsion of a molecule allows a particularly insightful discussion of the distribution of mechanical

  8. Screening of 397 chemicals and development of a quantitative structure-activity relationship model for androgen receptor antagonism

    DEFF Research Database (Denmark)

    Vinggaard, Annemarie; Niemelä, Jay Russell; Wedebye, Eva Bay;

    2008-01-01

    We have screened 397 chemicals for human androgen receptor (AR) antagonism by a sensitive reporter gene assay to generate data for the development of a quantitative structure-activity relationship (QSAR) model. A total of 523 chemicals comprising data on 292 chemicals from our laboratory and data...... by the synthetic androgen R1881. The MultiCASE expert system was used to construct a QSAR model for AR antagonizing potential. A "5 Times, 2-Fold 50% Cross Validation" of the model showed a sensitivity of 64%, a specificity of 84%, and a concordance of 76%. Data for 102 chemicals were generated for an external...... validation of the model resulting in a sensitivity of 57%, a specificity of 98%, and a concordance of 92% of the model. The model was run on a set of 176103 chemicals, and 47% were within the domain of the model. Approximately 8% of chemicals was predicted active for AR antagonism. We conclude...

  9. Emerging flow injection mass spectrometry methods for high-throughput quantitative analysis.

    Science.gov (United States)

    Nanita, Sergio C; Kaldon, Laura G

    2016-01-01

    Where does flow injection analysis mass spectrometry (FIA-MS) stand relative to ambient mass spectrometry (MS) and chromatography-MS? Improvements in FIA-MS methods have resulted in fast-expanding uses of this technique. Key advantages of FIA-MS over chromatography-MS are fast analysis (typical run time quantitative screening of chemicals needs to be performed rapidly and reliably. The FIA-MS methods discussed herein have demonstrated quantitation of diverse analytes, including pharmaceuticals, pesticides, environmental contaminants, and endogenous compounds, at levels ranging from parts-per-billion (ppb) to parts-per-million (ppm) in very complex matrices (such as blood, urine, and a variety of foods of plant and animal origin), allowing successful applications of the technique in clinical diagnostics, metabolomics, environmental sciences, toxicology, and detection of adulterated/counterfeited goods. The recent boom in applications of FIA-MS for high-throughput quantitative analysis has been driven in part by (1) the continuous improvements in sensitivity and selectivity of MS instrumentation, (2) the introduction of novel sample preparation procedures compatible with standalone mass spectrometric analysis such as salting out assisted liquid-liquid extraction (SALLE) with volatile solutes and NH4(+) QuEChERS, and (3) the need to improve efficiency of laboratories to satisfy increasing analytical demand while lowering operational cost. The advantages and drawbacks of quantitative analysis by FIA-MS are discussed in comparison to chromatography-MS and ambient MS (e.g., DESI, LAESI, DART). Generally, FIA-MS sits 'in the middle' between ambient MS and chromatography-MS, offering a balance between analytical capability and sample analysis throughput suitable for broad applications in life sciences, agricultural chemistry, consumer safety, and beyond.

  10. Chromatin immunoprecipitation: optimization, quantitative analysis and data normalization

    Directory of Open Access Journals (Sweden)

    Peterhansel Christoph

    2007-09-01

    Full Text Available Abstract Background Chromatin remodeling, histone modifications and other chromatin-related processes play a crucial role in gene regulation. A very useful technique to study these processes is chromatin immunoprecipitation (ChIP. ChIP is widely used for a few model systems, including Arabidopsis, but establishment of the technique for other organisms is still remarkably challenging. Furthermore, quantitative analysis of the precipitated material and normalization of the data is often underestimated, negatively affecting data quality. Results We developed a robust ChIP protocol, using maize (Zea mays as a model system, and present a general strategy to systematically optimize this protocol for any type of tissue. We propose endogenous controls for active and for repressed chromatin, and discuss various other controls that are essential for successful ChIP experiments. We experienced that the use of quantitative PCR (QPCR is crucial for obtaining high quality ChIP data and we explain why. The method of data normalization has a major impact on the quality of ChIP analyses. Therefore, we analyzed different normalization strategies, resulting in a thorough discussion of the advantages and drawbacks of the various approaches. Conclusion Here we provide a robust ChIP protocol and strategy to optimize the protocol for any type of tissue; we argue that quantitative real-time PCR (QPCR is the best method to analyze the precipitates, and present comprehensive insights into data normalization.

  11. Fluorescent foci quantitation for high-throughput analysis

    Science.gov (United States)

    Ledesma-Fernández, Elena; Thorpe, Peter H.

    2015-01-01

    A number of cellular proteins localize to discrete foci within cells, for example DNA repair proteins, microtubule organizing centers, P bodies or kinetochores. It is often possible to measure the fluorescence emission from tagged proteins within these foci as a surrogate for the concentration of that specific protein. We wished to develop tools that would allow quantitation of fluorescence foci intensities in high-throughput studies. As proof of principle we have examined the kinetochore, a large multi-subunit complex that is critical for the accurate segregation of chromosomes during cell division. Kinetochore perturbations lead to aneuploidy, which is a hallmark of cancer cells. Hence, understanding kinetochore homeostasis and regulation are important for a global understanding of cell division and genome integrity. The 16 budding yeast kinetochores colocalize within the nucleus to form a single focus. Here we have created a set of freely-available tools to allow high-throughput quantitation of kinetochore foci fluorescence. We use this ‘FociQuant’ tool to compare methods of kinetochore quantitation and we show proof of principle that FociQuant can be used to identify changes in kinetochore protein levels in a mutant that affects kinetochore function. This analysis can be applied to any protein that forms discrete foci in cells. PMID:26290880

  12. A quantitative analysis of IRAS maps of molecular clouds

    Science.gov (United States)

    Wiseman, Jennifer J.; Adams, Fred C.

    1994-01-01

    We present an analysis of IRAS maps of five molecular clouds: Orion, Ophiuchus, Perseus, Taurus, and Lupus. For the classification and description of these astrophysical maps, we use a newly developed technique which considers all maps of a given type to be elements of a pseudometric space. For each physical characteristic of interest, this formal system assigns a distance function (a pseudometric) to the space of all maps: this procedure allows us to measure quantitatively the difference between any two maps and to order the space of all maps. We thus obtain a quantitative classification scheme for molecular clouds. In this present study we use the IRAS continuum maps at 100 and 60 micrometer(s) to produce column density (or optical depth) maps for the five molecular cloud regions given above. For this sample of clouds, we compute the 'output' functions which measure the distribution of density, the distribution of topological components, the self-gravity, and the filamentary nature of the clouds. The results of this work provide a quantitative description of the structure in these molecular cloud regions. We then order the clouds according to the overall environmental 'complexity' of these star-forming regions. Finally, we compare our results with the observed populations of young stellar objects in these clouds and discuss the possible environmental effects on the star-formation process. Our results are consistent with the recently stated conjecture that more massive stars tend to form in more 'complex' environments.

  13. Simulating realistic predator signatures in quantitative fatty acid signature analysis

    Science.gov (United States)

    Bromaghin, Jeffrey F.

    2015-01-01

    Diet estimation is an important field within quantitative ecology, providing critical insights into many aspects of ecology and community dynamics. Quantitative fatty acid signature analysis (QFASA) is a prominent method of diet estimation, particularly for marine mammal and bird species. Investigators using QFASA commonly use computer simulation to evaluate statistical characteristics of diet estimators for the populations they study. Similar computer simulations have been used to explore and compare the performance of different variations of the original QFASA diet estimator. In both cases, computer simulations involve bootstrap sampling prey signature data to construct pseudo-predator signatures with known properties. However, bootstrap sample sizes have been selected arbitrarily and pseudo-predator signatures therefore may not have realistic properties. I develop an algorithm to objectively establish bootstrap sample sizes that generates pseudo-predator signatures with realistic properties, thereby enhancing the utility of computer simulation for assessing QFASA estimator performance. The algorithm also appears to be computationally efficient, resulting in bootstrap sample sizes that are smaller than those commonly used. I illustrate the algorithm with an example using data from Chukchi Sea polar bears (Ursus maritimus) and their marine mammal prey. The concepts underlying the approach may have value in other areas of quantitative ecology in which bootstrap samples are post-processed prior to their use.

  14. Quantitative multiphase analysis of archaeological bronzes by neutron diffraction

    CERN Document Server

    Siano, S; Celli, M; Pini, R; Salimbeni, R; Zoppi, M; Kockelmann, W A; Iozzo, M; Miccio, M; Moze, O

    2002-01-01

    In this paper, we report the first investigation on the potentials of neutron diffraction to characterize archaeological bronze artifacts. The preliminary feasibility of phase and structural analysis was demonstrated on standardised specimens with a typical bronze alloy composition. These were realised through different hardening and annealing cycles, simulating possible ancient working techniques. The Bragg peak widths that resulted were strictly dependent on the working treatment, thus providing an important analytical element to investigate ancient making techniques. The diagnostic criteria developed on the standardised specimens were then applied to study two Etruscan museum pieces. Quantitative multiphase analysis by Rietveld refinement of the diffraction patterns was successfully demonstrated. Furthermore, the analysis of patterns associated with different artifact elements also yielded evidence for some peculiar perspective of the neutron diffraction diagnostics in archeometric applications. (orig.)

  15. QUANTITATIVE METHODOLOGY FOR STABILITY ANALYSIS OF NONLINEAR ROTOR SYSTEMS

    Institute of Scientific and Technical Information of China (English)

    ZHENG Hui-ping; XUE Yu-sheng; CHEN Yu-shu

    2005-01-01

    Rotor-bearings systems applied widely in industry are nonlinear dynamic systems of multi-degree-of-freedom. Modem concepts on design and maintenance call for quantitative stability analysis. Using trajectory based stability-preserving and dimensional-reduction, a quanttative stability analysis method for rotor systems is presented. At first, an n-dimensional nonlinear non-autonomous rotor system is decoupled into n subsystems after numerical integration. Each of them has only onedegree-of-freedom and contains time-varying parameters to represent all other state variables. In this way, n-dimensional trajectory is mapped into a set of one-dimensional trajectories. Dynamic central point (DCP) of a subsystem is then defined on the extended phase plane, namely, force-position plane. Characteristics of curves on the extended phase plane and the DCP's kinetic energy difference sequence for general motion in rotor systems are studied. The corresponding stability margins of trajectory are evaluated quantitatively. By means of the margin and its sensitivity analysis, the critical parameters of the period doubling bifurcation and the Hopf bifurcation in a flexible rotor supported by two short journal beatings with nonlinear suspensionare are determined.

  16. Quantitative and comparative analysis of hyperspectral data fusion performance

    Institute of Scientific and Technical Information of China (English)

    王强; 张晔; 李硕; 沈毅

    2002-01-01

    Hyperspectral data fusion technique is the key to hyperspectral data processing in recent years. Manyfusion methods have been proposed, but little research has been done to evaluate the performances of differentdata fusion methods. In order to meet the urgent need, quantitative correlation analysis (QCA) is proposed toanalyse and compare the performances of different fusion methods directly from data before and after fusion. Ex-periment results show that the new method is effective and the results of comparison are in agreement with theresults of application.

  17. Quantitative analysis of sideband coupling in photoinduced force microscopy

    Science.gov (United States)

    Jahng, Junghoon; Kim, Bongsu; Lee, Eun Seong; Potma, Eric Olaf

    2016-11-01

    We present a theoretical and experimental analysis of the cantilever motions detected in photoinduced force microscopy (PiFM) using the sideband coupling detection scheme. In sideband coupling, the cantilever dynamics are probed at a combination frequency of a fundamental mechanical eigenmode and the modulation frequency of the laser beam. Using this detection mode, we develop a method for reconstructing the modulated photoinduced force gradient from experimental parameters in a quantitative manner. We show evidence, both theoretically and experimentally, that the sideband coupling detection mode provides PiFM images with superior contrast compared to images obtained when detecting the cantilever motions directly at the laser modulation frequency.

  18. European Identity in Russian Regions Bordering on Finland: Quantitative Analysis

    OpenAIRE

    A. O. Domanov

    2014-01-01

    Th e quantitative analysis of an opinion poll conducted in October 2013 in three Russian cities located near Finnish border (St-Petersburg, Kronstadt and Vyborg) explores European identity of their citizens. Th is area was chosen to illustrate the crucial importance of space interpretation in spatial identity formation by using critical geopolitical approach. Th e study shows how diff erent images of space on the same territory act as intermediate variables between objective territorial chara...

  19. QSTR modeling for qualitative and quantitative toxicity predictions of diverse chemical pesticides in honey bee for regulatory purposes.

    Science.gov (United States)

    Singh, Kunwar P; Gupta, Shikha; Basant, Nikita; Mohan, Dinesh

    2014-09-15

    Pesticides are designed toxic chemicals for specific purposes and can harm nontarget species as well. The honey bee is considered a nontarget test species for toxicity evaluation of chemicals. Global QSTR (quantitative structure-toxicity relationship) models were established for qualitative and quantitative toxicity prediction of pesticides in honey bee (Apis mellifera) based on the experimental toxicity data of 237 structurally diverse pesticides. Structural diversity of the chemical pesticides and nonlinear dependence in the toxicity data were evaluated using the Tanimoto similarity index and Brock-Dechert-Scheinkman statistics. Probabilistic neural network (PNN) and generalized regression neural network (GRNN) QSTR models were constructed for classification (two and four categories) and function optimization problems using the toxicity end point in honey bees. The predictive power of the QSTR models was tested through rigorous validation performed using the internal and external procedures employing a wide series of statistical checks. In complete data, the PNN-QSTR model rendered a classification accuracy of 96.62% (two-category) and 95.57% (four-category), while the GRNN-QSTR model yielded a correlation (R(2)) of 0.841 between the measured and predicted toxicity values with a mean squared error (MSE) of 0.22. The results suggest the appropriateness of the developed QSTR models for reliably predicting qualitative and quantitative toxicities of pesticides in honey bee. Both the PNN and GRNN based QSTR models constructed here can be useful tools in predicting the qualitative and quantitative toxicities of the new chemical pesticides for regulatory purposes.

  20. Quantitative chemical mapping of sodium acrylate- and N-vinylpyrrolidone-enhanced alginate microcapsules.

    Science.gov (United States)

    Araki, Tohru; Hitchcock, Adam P; Shen, Feng; Chang, Patricia L; Wang, Maggie; Childs, Ronald F

    2005-01-01

    Alginate microcapsules enclosing recombinant cells secreting therapeutic products have been used successfully to treat several murine models of human diseases. The mechanical and chemical properties of these alginate capsules can be improved by the addition and in situ photo-polymerization of sodium acrylate and N-vinylpyrrolidone in the alginate capsule. The purpose of this modification was to form additional covalent cross-links. In this work we have used scanning transmission X-ray microscopy (STXM) to probe the nature and location of the chemical modifications in the modified capsules by comparison with unmodified capsules. Analysis of X-ray image sequences and selected area spectra has been used to map the calcium gradient in capsules, to identify the presence of polyacrylate throughout the capsules and the localization of poly-N-vinylpyrrolidone in the outer regions of the alginate capsules. The differences in the spatial distributions of these species have led to better understanding of the chemical modifications that provide a mechanically more stable capsule structure.

  1. Nanoelectromechanical Resonator Arrays for Ultrafast, Gas-Phase Chromatographic Chemical Analysis

    OpenAIRE

    Li, Mo; Myers, E. B.; Tang, H. X.; Aldridge, S. J.; McCaig, H. C.; Whiting, J. J.; Simonson, R. J.; Lewis, N. S.; Roukes, M. L.

    2010-01-01

    Miniaturized gas chromatography (GC) systems can provide fast, quantitative analysis of chemical vapors in an ultrasmall package. We describe a chemical sensor technology based on resonant nanoelectromechanical systems (NEMS) mass detectors that provides the speed, sensitivity, specificity, and size required by the microscale GC paradigm. Such NEMS sensors have demonstrated detection of subparts per billion (ppb) concentrations of a phosphonate analyte. By combining two channels of NEMS detec...

  2. Nanoelectromechanical resonator arrays for ultrafast, gas-phase chromatographic chemical analysis.

    Science.gov (United States)

    Li, Mo; Myers, E B; Tang, H X; Aldridge, S J; McCaig, H C; Whiting, J J; Simonson, R J; Lewis, N S; Roukes, M L

    2010-10-13

    Miniaturized gas chromatography (GC) systems can provide fast, quantitative analysis of chemical vapors in an ultrasmall package. We describe a chemical sensor technology based on resonant nanoelectromechanical systems (NEMS) mass detectors that provides the speed, sensitivity, specificity, and size required by the microscale GC paradigm. Such NEMS sensors have demonstrated detection of subparts per billion (ppb) concentrations of a phosphonate analyte. By combining two channels of NEMS detection with an ultrafast GC front-end, chromatographic analysis of 13 chemicals was performed within a 5 s time window.

  3. Quantitative and fingerprinting analysis of Pogostemon cablin based on GC-FID combined with chemometrics.

    Science.gov (United States)

    Yang, Yinhui; Kong, Weijun; Feng, Huanhuan; Dou, Xiaowen; Zhao, Lianhua; Xiao, Qiang; Yang, Meihua

    2016-03-20

    In this study, a simple, sensitive and reliable gas chromatography-flame ionization detection (GC-FID) method is established for quantitative chemical fingerprinting of essential oils from Pogostemon cablin. Oil samples are prepared by hydrodistillation, with yields ranging from 0.73% to 2.02%. The two main components of the oil, patchouli alcohol and pogostone, were detected simultaneously in 36 samples and were found to have average contents of 43.07% and 7.84%, respectively. The method was validated in terms of linearity, sensitivity, precision, stability, and accuracy. All calibration curves showed excellent linearity (r(2)>0.9992) within the test ranges, and the relative standard deviation (RSD) values for intra- and inter-day precision were less than 1.5%, indicating a high degree of precision. The GC-FID chemical fingerprints of the 36 samples were established using 12 common peaks which account for over 90% of the total peak area. Chemometric techniques, including similarity analysis and hierarchical cluster analysis, were also employed to explore the similarities and outstanding consistencies among different P. cablin oil samples. The results demonstrate that chromatographic fingerprinting and quantitative analysis can be achieved simultaneously when evaluating quality and authenticating samples of P. cablin.

  4. VALIDATION GUIDELINES FOR LABORATORIES PERFORMING FORENSIC ANALYSIS OF CHEMICAL TERRORISM

    Science.gov (United States)

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

  5. Mass spectrometry analysis of polychlorinated biphenyls: chemical ionization and selected ion chemical ionization using methane as a reagent gas

    Directory of Open Access Journals (Sweden)

    RAYMOND E. MARCH

    2000-06-01

    Full Text Available In the present paper a quadrupole ion trap mass spectrometer, coupled with a gas chromatograph, was used to compare the electron impact ionization (EI and chemical ionization (Cl technique, in terms of their selectivity in polychlorinated biphenyls (PCBs quantitative analysis. The experiments were carried out with a modified Varian SATURN III quadrupole ion-storage mass spectrometer equipped with Varian waveform generator, coupled with a gas chromatograph with DB-5 capillary column. The disadvantage of using EI in the analysis of PCBs congeners is the extensive fragmentation of the molecular ion. The main fragmentation pattern recorded in the EI mass spectra of PCBs was the loss of a chlorine atom from the molecular ion. Therefore the fragment-ion signal overlapped with the molecular-ion cluster of lower mass congener. The fragmentation reactions of PCBs are suppressed if methane is used as a reagent gas for chemical ionization, but fragment ions are also present in the spectrum as an obstruction for quantitative analysis. The most selective method for PCBs quantitative analysis appears to be Cl with mass-selected C2H5+ ions from methane, which results in a mass spectrum with a negligible amount of fragment ions.

  6. Quantitative analysis of intermolecular interactions in orthorhombic rubrene

    Directory of Open Access Journals (Sweden)

    Venkatesha R. Hathwar

    2015-09-01

    Full Text Available Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices. Previous electronic device characterizations and first principles theoretical calculations assigned the semiconducting properties of rubrene to the presence of a large overlap of the extended π-conjugated core between molecules. We present here the electron density distribution in rubrene at 20 K and at 100 K obtained using a combination of high-resolution X-ray and neutron diffraction data. The topology of the electron density and energies of intermolecular interactions are studied quantitatively. Specifically, the presence of Cπ...Cπ interactions between neighbouring tetracene backbones of the rubrene molecules is experimentally confirmed from a topological analysis of the electron density, Non-Covalent Interaction (NCI analysis and the calculated interaction energy of molecular dimers. A significant contribution to the lattice energy of the crystal is provided by H—H interactions. The electron density features of H—H bonding, and the interaction energy of molecular dimers connected by H—H interaction clearly demonstrate an importance of these weak interactions in the stabilization of the crystal structure. The quantitative nature of the intermolecular interactions is virtually unchanged between 20 K and 100 K suggesting that any changes in carrier transport at these low temperatures would have a different origin. The obtained experimental results are further supported by theoretical calculations.

  7. Quantitative analysis on electrooculography (EOG) for neurodegenerative disease

    Science.gov (United States)

    Liu, Chang-Chia; Chaovalitwongse, W. Art; Pardalos, Panos M.; Seref, Onur; Xanthopoulos, Petros; Sackellares, J. C.; Skidmore, Frank M.

    2007-11-01

    Many studies have documented abnormal horizontal and vertical eye movements in human neurodegenerative disease as well as during altered states of consciousness (including drowsiness and intoxication) in healthy adults. Eye movement measurement may play an important role measuring the progress of neurodegenerative diseases and state of alertness in healthy individuals. There are several techniques for measuring eye movement, Infrared detection technique (IR). Video-oculography (VOG), Scleral eye coil and EOG. Among those available recording techniques, EOG is a major source for monitoring the abnormal eye movement. In this real-time quantitative analysis study, the methods which can capture the characteristic of the eye movement were proposed to accurately categorize the state of neurodegenerative subjects. The EOG recordings were taken while 5 tested subjects were watching a short (>120 s) animation clip. In response to the animated clip the participants executed a number of eye movements, including vertical smooth pursued (SVP), horizontal smooth pursued (HVP) and random saccades (RS). Detection of abnormalities in ocular movement may improve our diagnosis and understanding a neurodegenerative disease and altered states of consciousness. A standard real-time quantitative analysis will improve detection and provide a better understanding of pathology in these disorders.

  8. Quantitative analysis in outcome assessment of instrumented lumbosacral arthrodesis.

    Science.gov (United States)

    Champain, Sabina; Mazel, Christian; Mitulescu, Anca; Skalli, Wafa

    2007-08-01

    The outcome assessment in instrumented lumbosacral fusion mostly focuses on clinical criteria, complications and scores, with a high variability of imaging means, methods of fusion grading and parameters describing degenerative changes, making comparisons between studies difficult. The aim of this retrospective evaluation was to evaluate the interest of quantified radiographic analysis of lumbar spine in global outcome assessment and to highlight the key biomechanical factors involved. Clinical data and Beaujon-Lassale scores were collected for 49 patients who underwent lumbosacral arthrodesis after prior lumbar discectomy (mean follow-up: 5 years). Sagittal standing and lumbar flexion-extension X-ray films allowed quantifying vertebral, lumbar, pelvic and kinematic parameters of the lumbar spine, which were compared to reference values. Statistics were performed to assess evolution for all variables. At long-term follow-up, 90% of patients presented satisfactory clinical outcomes, associated to normal sagittal alignment; vertebral parameters objectified adjacent level degeneration in four cases (8%). Clinical outcome was correlated (r = 0.8) with fusion that was confirmed in 80% of cases, doubtful in 16% and pseudarthrosis seemed to occur in 4% (2) of cases. In addition to clinical data (outcomes comparable to the literature), quantitative analysis accurately described lumbar spine geometry and kinematics, highlighting parameters related to adjacent level's degeneration and a significant correlation between clinical outcome and fusion. Furthermore, criteria proposed to quantitatively evaluate fusion from lumbar dynamic radiographs seem to be appropriate and in agreement with surgeon's qualitative grading in 87% of cases.

  9. Quantitative Analysis of the Interdisciplinarity of Applied Mathematics.

    Science.gov (United States)

    Xie, Zheng; Duan, Xiaojun; Ouyang, Zhenzheng; Zhang, Pengyuan

    2015-01-01

    The increasing use of mathematical techniques in scientific research leads to the interdisciplinarity of applied mathematics. This viewpoint is validated quantitatively here by statistical and network analysis on the corpus PNAS 1999-2013. A network describing the interdisciplinary relationships between disciplines in a panoramic view is built based on the corpus. Specific network indicators show the hub role of applied mathematics in interdisciplinary research. The statistical analysis on the corpus content finds that algorithms, a primary topic of applied mathematics, positively correlates, increasingly co-occurs, and has an equilibrium relationship in the long-run with certain typical research paradigms and methodologies. The finding can be understood as an intrinsic cause of the interdisciplinarity of applied mathematics.

  10. Quantitative Phase Analysis by the Rietveld Method for Forensic Science.

    Science.gov (United States)

    Deng, Fei; Lin, Xiaodong; He, Yonghong; Li, Shu; Zi, Run; Lai, Shijun

    2015-07-01

    Quantitative phase analysis (QPA) is helpful to determine the type attribute of the object because it could present the content of the constituents. QPA by Rietveld method requires neither measurement of calibration data nor the use of an internal standard; however, the approximate crystal structure of each phase in a mixture is necessary. In this study, 8 synthetic mixtures composed of potassium nitrate and sulfur were analyzed by Rietveld QPA method. The Rietveld refinement was accomplished with a material analysis using diffraction program and evaluated by three agreement indices. Results showed that Rietveld QPA yielded precise results, with errors generally less than 2.0% absolute. In addition, a criminal case which was broken successfully with the help of Rietveld QPA method was also introduced. This method will allow forensic investigators to acquire detailed information of the material evidence, which could point out the direction for case detection and court proceedings.

  11. [Quantitative analysis of butachlor, oxadiazon and simetryn by gas chromatography].

    Science.gov (United States)

    Liu, F; Mu, W; Wang, J

    1999-03-01

    The quantitative analysis of the ingredients in 26% B-O-S (butachlor, oxadiazon and simetryn) emulsion by gas chromatographic method was carried out with a 5% SE-30 on Chromosorb AW DMCS, 2 m x 3 mm i.d., glass column at column temperature of 210 degrees C and detector temperature of 230 degrees C. The internal standard is di-n-butyl sebacate. The retentions of simetryn, internal standard, butachlor and oxadiazon were 6.5, 8.3, 9.9 and 11.9 min respectively. This method has a recovery of 98.62%-100.77% and the coefficients of variation of this analysis of butachlor, oxadiazon and simetryn were 0.46%, 0.32% and 0.57% respectively. All coefficients of linear correlation were higher than 0.999.

  12. Fusing Quantitative Requirements Analysis with Model-based Systems Engineering

    Science.gov (United States)

    Cornford, Steven L.; Feather, Martin S.; Heron, Vance A.; Jenkins, J. Steven

    2006-01-01

    A vision is presented for fusing quantitative requirements analysis with model-based systems engineering. This vision draws upon and combines emergent themes in the engineering milieu. "Requirements engineering" provides means to explicitly represent requirements (both functional and non-functional) as constraints and preferences on acceptable solutions, and emphasizes early-lifecycle review, analysis and verification of design and development plans. "Design by shopping" emphasizes revealing the space of options available from which to choose (without presuming that all selection criteria have previously been elicited), and provides means to make understandable the range of choices and their ramifications. "Model-based engineering" emphasizes the goal of utilizing a formal representation of all aspects of system design, from development through operations, and provides powerful tool suites that support the practical application of these principles. A first step prototype towards this vision is described, embodying the key capabilities. Illustrations, implications, further challenges and opportunities are outlined.

  13. [Quantitative analysis of transformer oil dissolved gases using FTIR].

    Science.gov (United States)

    Zhao, An-xin; Tang, Xiao-jun; Wang, Er-zhen; Zhang, Zhong-hua; Liu, Jun-hua

    2013-09-01

    For the defects of requiring carrier gas and regular calibration, and low safety using chromatography to on line monitor transformer dissolved gases, it was attempted to establish a dissolved gas analysis system based on Fourier transform infrared spectroscopy. Taking into account the small amount of characteristic gases, many components, detection limit and safety requirements and the difficulty of degasser to put an end to the presence of interference gas, the quantitative analysis model was established based on sparse partial least squares, piecewise section correction and feature variable extraction algorithm using improvement TR regularization. With the characteristic gas of CH4, C2H6, C2H6, and CO2, the results show that using FTIR meets DGA requirements with the spectrum wave number resolution of 1 cm(-1) and optical path of 10 cm.

  14. Quantitative Analysis of Cu(I) Concentration in Click Chemistry : Biotinylation at Side Chain of Propargylglycine Using Click Chemistry under Heating Conditions

    OpenAIRE

    Ogasawara, Yui; Murai, Yuta; Sakihama, Yasuko; Hashidoko, Yasuyuki; Hashimoto, Makoto

    2012-01-01

    The click reaction is one of the latest techniques for the chemical modification of bioactive compounds. Chemical modifications of α-amino acid side chains are gaining significance as useful and important tools for biochemical research. Biotinylation at side chain of propargylglycine using click reaction was examined. The detail quantitative analysis of Cu(I) concentration are performed to proceed the click reaction effectively.

  15. Quantitative chemical exchange saturation transfer (qCEST) MRI--RF spillover effect-corrected omega plot for simultaneous determination of labile proton fraction ratio and exchange rate.

    Science.gov (United States)

    Sun, Phillip Zhe; Wang, Yu; Dai, ZhuoZhi; Xiao, Gang; Wu, Renhua

    2014-01-01

    Chemical exchange saturation transfer (CEST) MRI is sensitive to dilute proteins and peptides as well as microenvironmental properties. However, the complexity of the CEST MRI effect, which varies with the labile proton content, exchange rate and experimental conditions, underscores the need for developing quantitative CEST (qCEST) analysis. Towards this goal, it has been shown that omega plot is capable of quantifying paramagnetic CEST MRI. However, the use of the omega plot is somewhat limited for diamagnetic CEST (DIACEST) MRI because it is more susceptible to direct radio frequency (RF) saturation (spillover) owing to the relatively small chemical shift. Recently, it has been found that, for dilute DIACEST agents that undergo slow to intermediate chemical exchange, the spillover effect varies little with the labile proton ratio and exchange rate. Therefore, we postulated that the omega plot analysis can be improved if RF spillover effect could be estimated and taken into account. Specifically, simulation showed that both labile proton ratio and exchange rate derived using the spillover effect-corrected omega plot were in good agreement with simulated values. In addition, the modified omega plot was confirmed experimentally, and we showed that the derived labile proton ratio increased linearly with creatine concentration (p exchange rate (p = 0.32). In summary, our study extends the conventional omega plot for quantitative analysis of DIACEST MRI.

  16. Quantitative morphometric analysis for the tectonic characterisation of northern Tunisia.

    Science.gov (United States)

    Camafort, Miquel; Pérez-Peña, José Vicente; Booth-Rea, Guillermo; Ranero, César R.; Gràcia, Eulàlia; Azañón, José Miguel; Melki, Fetheddine; Ouadday, Mohamed

    2016-04-01

    Northern Tunisia is characterized by low deformation rates and low to moderate seismicity. Although instrumental seismicity reaches maximum magnitudes of Mw 5.5, some historical earthquakes have occurred with catastrophic consequences in this region. Aiming to improve our knowledge of active tectonics in Tunisia, we carried out both a quantitative morphometric analysis and field study in the north-western region. We applied different morphometric tools, like river profiles, knickpoint analysis, hypsometric curves and integrals and drainage pattern anomalies in order to differentiate between zones with high or low recent tectonic activity. This analysis helps identifying uplift and subsidence zones, which we relate to fault activity. Several active faults in a sparse distribution were identified. A selected sector was studied with a field campaign to test the results obtained with the quantitative analysis. During the fieldwork we identified geological evidence of recent activity and a considerable seismogenic potential along El Alia-Teboursouk (ETF) and Dkhila (DF) faults. The ETF fault could be responsible of one of the most devastating historical earthquakes in northern Tunisia that destroyed Utique in 412 A.D. Geological evidence include fluvial terraces folded by faults, striated and cracked pebbles, clastic dikes, sand volcanoes, coseismic cracks, etc. Although not reflected in the instrumental seismicity, our results support an important seismic hazard, evidenced by the several active tectonic structures identified and the two seismogenic faults described. After obtaining the current active tectonic framework of Tunisia we discuss our results within the western Mediterranean trying to contribute to the understanding of the western Mediterranean tectonic context. With our results, we suggest that the main reason explaining the sparse and scarce seismicity of the area in contrast with the adjacent parts of the Nubia-Eurasia boundary is due to its extended

  17. A quantitative proteomic approach to highlight Phragmites sp. adaptation mechanisms to chemical stress induced by a textile dyeing pollutant.

    Science.gov (United States)

    Ferreira, R A; Roma-Rodrigues, C; Davies, L C; Sá-Correia, I; Martins-Dias, S

    2016-12-15

    Phragmites sp. is present worldwide in treatment wetlands though the mechanisms involved in the phytoremediation remain unclear. In this study a quantitative proteomic approach was used to study the prompt response and adaptation of Phragmites to the textile dyeing pollutant, Acid Orange 7 (AO7). Previously, it was demonstrated that AO7 could be successfully removed from wastewater and mineralized in a constructed wetland planted with Phragmites sp. This azo dye is readily taken up by roots and transported to the plant aerial part by the xylem. Phragmites leaf samples were collected from a pilot scale vertical flow constructed wetland after 0.25, 3.25 and 24.25h exposure to AO7 (400mgL(-1)) immediately after a watering cycle used as control. Leaf soluble protein extraction yielded an average of 1560 proteins in a broad pI range (pH3-10) by two-dimensional gel electrophoresis. A time course comparative analysis of leaf proteome revealed that 40 proteins had a differential abundance compared to control (p<0.05) within a 3.25h period. After 24.25h in contact with AO7, leaf proteome was similar to control. Adaptation to AO7 involved proteins related with cellular signalling (calreticulin, Ras-related protein Rab11D and 20S proteasome), energy production and conversion (adenosine triphosphate synthase beta subunit) carbohydrate transport and metabolism (phosphoglucose isomerase, fructose-bisphosphate aldolase, monodehydroascorbate reductase, frutockinase-1 and Hypothetical protein POPTR_0003s12000g and the Uncharacterized protein LOC100272772) and photosynthesis (sedoheptulose-1,7-bisphosphatase and ferredoxin-NADP(+) reductase). Therefore, the quantitative proteomic approach used in this work indicates that mechanisms associated with stress cell signalling, energy production, carbohydrate transport and metabolism as well as proteins related with photosynthesis are key players in the initial chemical stress response in the phytoremediation process of AO7.

  18. Multiparent intercross populations in analysis of quantitative traits

    Indian Academy of Sciences (India)

    Sujay Rakshit; Arunita Rakshit; J. V. Patil

    2011-04-01

    Most traits of interest to medical, agricultural and animal scientists show continuous variation and complex mode of inheritance. DNA-based markers are being deployed to analyse such complex traits, that are known as quantitative trait loci (QTL). In conventional QTL analysis, F2, backcross populations, recombinant inbred lines, backcross inbred lines and double haploids from biparental crosses are commonly used. Introgression lines and near isogenic lines are also being used for QTL analysis. However, such populations have major limitations like predominantly relying on the recombination events taking place in the F1 generation and mapping of only the allelic pairs present in the two parents. The second generation mapping resources like association mapping, nested association mapping and multiparent intercross populations potentially address the major limitations of available mapping resources. The potential of multiparent intercross populations in gene mapping has been discussed here. In such populations both linkage and association analysis can be conductted without encountering the limitations of structured populations. In such populations, larger genetic variation in the germplasm is accessed and various allelic and cytoplasmic interactions are assessed. For all practical purposes, across crop species, use of eight founders and a fixed population of 1000 individuals are most appropriate. Limitations with multiparent intercross populations are that they require longer time and more resource to be generated and they are likely to show extensive segregation for developmental traits, limiting their use in the analysis of complex traits. However, multiparent intercross population resources are likely to bring a paradigm shift towards QTL analysis in plant species.

  19. Colour quantitation for chemical spot tests for a controlled substances presumptive test database.

    Science.gov (United States)

    Elkins, Kelly M; Weghorst, Alex C; Quinn, Alicia A; Acharya, Subrata

    2017-02-01

    Crime scene investigators (CSIs) often encounter unknown powders, capsules, tablets, and liquids at crime scenes, many of which are controlled substances. Because most drugs are white powders, however, visual determination of the chemical identity is difficult. Colourimetric tests are a well-established method of presumptive drug identification. Positive tests are often reported differently, however, because two analysts may perceive colour or record colourimetric results in different ways. In addition to perceiving colour differently, it is very common for there to be poor visibility conditions (e.g. rain, darkness) while performing these tests, further obscuring the results. In order to address these concerns and to create uniformity in the reporting of on-site colourimetric test results, this study has evaluated two of the state-of-the-art apps (ColorAssist® and Colorimeter®) for reporting the colour test results quantitatively in red-green-blue (RGB) format. The compiled library database of presumptive test results contains over 3300 data points including over 800 unique drug/test combinations. Variations observed between test replicates, from performing a test on different days, recording with a different device type (e.g. iPod Touch, iPhone models 4, 5c, 5s, or 6), and using different quantities of drug are discussed. Overall, the least variation in Euclidian norm was observed using ColorAssist® with the camera light (25.1±22.1) while the variation between replicates and data recorded using different devices was similar. The resulting library is uploaded to a smartphone application aimed to aid in identifying and interpreting suspected controlled substance evidence. Copyright © 2016 John Wiley & Sons, Ltd.

  20. Epistasis analysis for quantitative traits by functional regression model.

    Science.gov (United States)

    Zhang, Futao; Boerwinkle, Eric; Xiong, Momiao

    2014-06-01

    The critical barrier in interaction analysis for rare variants is that most traditional statistical methods for testing interactions were originally designed for testing the interaction between common variants and are difficult to apply to rare variants because of their prohibitive computational time and poor ability. The great challenges for successful detection of interactions with next-generation sequencing (NGS) data are (1) lack of methods for interaction analysis with rare variants, (2) severe multiple testing, and (3) time-consuming computations. To meet these challenges, we shift the paradigm of interaction analysis between two loci to interaction analysis between two sets of loci or genomic regions and collectively test interactions between all possible pairs of SNPs within two genomic regions. In other words, we take a genome region as a basic unit of interaction analysis and use high-dimensional data reduction and functional data analysis techniques to develop a novel functional regression model to collectively test interactions between all possible pairs of single nucleotide polymorphisms (SNPs) within two genome regions. By intensive simulations, we demonstrate that the functional regression models for interaction analysis of the quantitative trait have the correct type 1 error rates and a much better ability to detect interactions than the current pairwise interaction analysis. The proposed method was applied to exome sequence data from the NHLBI's Exome Sequencing Project (ESP) and CHARGE-S study. We discovered 27 pairs of genes showing significant interactions after applying the Bonferroni correction (P-values < 4.58 × 10(-10)) in the ESP, and 11 were replicated in the CHARGE-S study.

  1. Phenotypic analysis of Arabidopsis mutants: quantitative analysis of root growth.

    Science.gov (United States)

    Doerner, Peter

    2008-03-01

    INTRODUCTIONThe growth of plant roots is very easy to measure and is particularly straightforward in Arabidopsis thaliana, because the increase in organ size is essentially restricted to one dimension. The precise measurement of root apical growth can be used to accurately determine growth activity (the rate of growth at a given time) during development in mutants, transgenic backgrounds, or in response to experimental treatments. Root growth is measured in a number of ways, the simplest of which is to grow the seedlings in a Petri dish and record the position of the advancing root tip at appropriate time points. The increase in root length is measured with a ruler and the data are entered into Microsoft Excel for analysis. When dealing with large numbers of seedlings, however, this procedure can be tedious, as well as inaccurate. An alternative approach, described in this protocol, uses "snapshots" of the growing plants, which are taken using gel-documentation equipment (i.e., a video camera with a frame-grabber unit, now commonly used to capture images from ethidium-bromide-stained electrophoresis gels). The images are analyzed using publicly available software (NIH-Image), which allows the user simply to cut and paste data into Microsoft Excel.

  2. Quantitative CT analysis of small pulmonary vessels in lymphangioleiomyomatosis

    Energy Technology Data Exchange (ETDEWEB)

    Ando, Katsutoshi, E-mail: kando@juntendo.ac.jp [Department of Internal Medicine, Division of Respiratory Medicine, Juntendo University Graduate School of Medicine, 2-1-1 Hongo, Bunkyo-Ku, Tokyo 113-8421 (Japan); The Study Group of Pneumothorax and Cystic Lung Diseases, 4-8-1 Seta, Setagaya-Ku, Tokyo 158-0095 (Japan); Tobino, Kazunori [Department of Respiratory Medicine, Iizuka Hospital, 3-83 Yoshio-Machi, Iizuka-City, Fukuoka 820-8505 (Japan); The Study Group of Pneumothorax and Cystic Lung Diseases, 4-8-1 Seta, Setagaya-Ku, Tokyo 158-0095 (Japan); Kurihara, Masatoshi; Kataoka, Hideyuki [Pneumothorax Center, Nissan Tamagawa Hospital, 4-8-1 Seta, Setagaya-Ku, Tokyo 158-0095 (Japan); The Study Group of Pneumothorax and Cystic Lung Diseases, 4-8-1 Seta, Setagaya-Ku, Tokyo 158-0095 (Japan); Doi, Tokuhide [Fukuoka Clinic, 7-18-11 Umeda, Adachi-Ku, Tokyo 123-0851 (Japan); Hoshika, Yoshito [Department of Internal Medicine, Division of Respiratory Medicine, Juntendo University Graduate School of Medicine, 2-1-1 Hongo, Bunkyo-Ku, Tokyo 113-8421 (Japan); The Study Group of Pneumothorax and Cystic Lung Diseases, 4-8-1 Seta, Setagaya-Ku, Tokyo 158-0095 (Japan); Takahashi, Kazuhisa [Department of Internal Medicine, Division of Respiratory Medicine, Juntendo University Graduate School of Medicine, 2-1-1 Hongo, Bunkyo-Ku, Tokyo 113-8421 (Japan); Seyama, Kuniaki [Department of Internal Medicine, Division of Respiratory Medicine, Juntendo University Graduate School of Medicine, 2-1-1 Hongo, Bunkyo-Ku, Tokyo 113-8421 (Japan); The Study Group of Pneumothorax and Cystic Lung Diseases, 4-8-1 Seta, Setagaya-Ku, Tokyo 158-0095 (Japan)

    2012-12-15

    Backgrounds: Lymphangioleiomyomatosis (LAM) is a destructive lung disease that share clinical, physiologic, and radiologic features with chronic obstructive pulmonary disease (COPD). This study aims to identify those features that are unique to LAM by using quantitative CT analysis. Methods: We measured total cross-sectional areas of small pulmonary vessels (CSA) less than 5 mm{sup 2} and 5–10 mm{sup 2} and calculated percentages of those lung areas (%CSA), respectively, in 50 LAM and 42 COPD patients. The extent of cystic destruction (LAA%) and mean parenchymal CT value were also calculated and correlated with pulmonary function. Results: The diffusing capacity for carbon monoxide/alveolar volume (DL{sub CO}/VA %predicted) was similar for both groups (LAM, 44.4 ± 19.8% vs. COPD, 45.7 ± 16.0%, p = 0.763), but less tissue damage occurred in LAM than COPD (LAA% 21.7 ± 16.3% vs. 29.3 ± 17.0; p < 0.05). Pulmonary function correlated negatively with LAA% (p < 0.001) in both groups, yet the correlation with %CSA was significant only in COPD (p < 0.001). When the same analysis was conducted in two groups with equal levels of LAA% and DL{sub CO}/VA %predicted, %CSA and mean parenchymal CT value were still greater for LAM than COPD (p < 0.05). Conclusions: Quantitative CT analysis revealing a correlation between cystic destruction and CSA in COPD but not LAM indicates that this approach successfully reflects different mechanisms governing the two pathologic courses. Such determinations of small pulmonary vessel density may serve to differentiate LAM from COPD even in patients with severe lung destruction.

  3. The Quantitative Analysis of Chennai Automotive Industry Cluster

    Science.gov (United States)

    Bhaskaran, Ethirajan

    2016-07-01

    Chennai, also called as Detroit of India due to presence of Automotive Industry producing over 40 % of the India's vehicle and components. During 2001-2002, the Automotive Component Industries (ACI) in Ambattur, Thirumalizai and Thirumudivakkam Industrial Estate, Chennai has faced problems on infrastructure, technology, procurement, production and marketing. The objective is to study the Quantitative Performance of Chennai Automotive Industry Cluster before (2001-2002) and after the CDA (2008-2009). The methodology adopted is collection of primary data from 100 ACI using quantitative questionnaire and analyzing using Correlation Analysis (CA), Regression Analysis (RA), Friedman Test (FMT), and Kruskall Wallis Test (KWT).The CA computed for the different set of variables reveals that there is high degree of relationship between the variables studied. The RA models constructed establish the strong relationship between the dependent variable and a host of independent variables. The models proposed here reveal the approximate relationship in a closer form. KWT proves, there is no significant difference between three locations clusters with respect to: Net Profit, Production Cost, Marketing Costs, Procurement Costs and Gross Output. This supports that each location has contributed for development of automobile component cluster uniformly. The FMT proves, there is no significant difference between industrial units in respect of cost like Production, Infrastructure, Technology, Marketing and Net Profit. To conclude, the Automotive Industries have fully utilized the Physical Infrastructure and Centralised Facilities by adopting CDA and now exporting their products to North America, South America, Europe, Australia, Africa and Asia. The value chain analysis models have been implemented in all the cluster units. This Cluster Development Approach (CDA) model can be implemented in industries of under developed and developing countries for cost reduction and productivity

  4. Quantitative analysis of multiple sclerosis: a feasibility study

    Science.gov (United States)

    Li, Lihong; Li, Xiang; Wei, Xinzhou; Sturm, Deborah; Lu, Hongbing; Liang, Zhengrong

    2006-03-01

    Multiple Sclerosis (MS) is an inflammatory and demyelinating disorder of the central nervous system with a presumed immune-mediated etiology. For treatment of MS, the measurements of white matter (WM), gray matter (GM), and cerebral spinal fluid (CSF) are often used in conjunction with clinical evaluation to provide a more objective measure of MS burden. In this paper, we apply a new unifying automatic mixture-based algorithm for segmentation of brain tissues to quantitatively analyze MS. The method takes into account the following effects that commonly appear in MR imaging: 1) The MR data is modeled as a stochastic process with an inherent inhomogeneity effect of smoothly varying intensity; 2) A new partial volume (PV) model is built in establishing the maximum a posterior (MAP) segmentation scheme; 3) Noise artifacts are minimized by a priori Markov random field (MRF) penalty indicating neighborhood correlation from tissue mixture. The volumes of brain tissues (WM, GM) and CSF are extracted from the mixture-based segmentation. Experimental results of feasibility studies on quantitative analysis of MS are presented.

  5. Quantitative analysis of tumor burden in mouse lung via MRI.

    Science.gov (United States)

    Tidwell, Vanessa K; Garbow, Joel R; Krupnick, Alexander S; Engelbach, John A; Nehorai, Arye

    2012-02-01

    Lung cancer is the leading cause of cancer death in the United States. Despite recent advances in screening protocols, the majority of patients still present with advanced or disseminated disease. Preclinical rodent models provide a unique opportunity to test novel therapeutic drugs for targeting lung cancer. Respiratory-gated MRI is a key tool for quantitatively measuring lung-tumor burden and monitoring the time-course progression of individual tumors in mouse models of primary and metastatic lung cancer. However, quantitative analysis of lung-tumor burden in mice by MRI presents significant challenges. Herein, a method for measuring tumor burden based upon average lung-image intensity is described and validated. The method requires accurate lung segmentation; its efficiency and throughput would be greatly aided by the ability to automatically segment the lungs. A technique for automated lung segmentation in the presence of varying tumor burden levels is presented. The method includes development of a new, two-dimensional parametric model of the mouse lungs and a multi-faceted cost function to optimally fit the model parameters to each image. Results demonstrate a strong correlation (0.93), comparable with that of fully manual expert segmentation, between the automated method's tumor-burden metric and the tumor burden measured by lung weight.

  6. Analysis of generalized interictal discharges using quantitative EEG.

    Science.gov (United States)

    da Silva Braga, Aline Marques; Fujisao, Elaine Keiko; Betting, Luiz Eduardo

    2014-12-01

    Experimental evidence from animal models of the absence seizures suggests a focal source for the initiation of generalized spike-and-wave (GSW) discharges. Furthermore, clinical studies indicate that patients diagnosed with idiopathic generalized epilepsy (IGE) exhibit focal electroencephalographic abnormalities, which involve the thalamo-cortical circuitry. This circuitry is a key network that has been implicated in the initiation of generalized discharges, and may contribute to the pathophysiology of GSW discharges. Quantitative electroencephalogram (qEEG) analysis may be able to detect abnormalities associated with the initiation of GSW discharges. The objective of this study was to determine whether interictal GSW discharges exhibit focal characteristics using qEEG analysis. In this study, 75 EEG recordings from 64 patients were analyzed. All EEG recordings analyzed contained at least one GSW discharge. EEG recordings were obtained by a 22-channel recorder with electrodes positioned according to the international 10-20 system of electrode placement. EEG activity was recorded for 20 min including photic stimulation and hyperventilation. The EEG recordings were visually inspected, and the first unequivocally confirmed generalized spike was marked for each discharge. Three methods of source imaging analysis were applied: dipole source imaging (DSI), classical LORETA analysis recursively applied (CLARA), and equivalent dipole of independent components with cluster analysis. A total of 753 GSW discharges were identified and spatiotemporally analyzed. Source evaluation analysis using all three techniques revealed that the frontal lobe was the principal source of GSW discharges (70%), followed by the parietal and occipital lobes (14%), and the basal ganglia (12%). The main anatomical sources of GSW discharges were the anterior cingulate cortex (36%) and the medial frontal gyrus (23%). Source analysis did not reveal a common focal source of GSW discharges. However

  7. The Impact of Arithmetic Skills on Mastery of Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Bruce K. Blaylock

    2012-01-01

    Full Text Available Over the past several years math education has moved from a period where all math calculations were done by hand to an era where most calculations are done using a calculator or computer. There are certainly benefits to this approach, but when one concomitantly recognizes the declining scores on national standardized mathematics exams, it raises the question, “Could the lack of technology-assisted arithmetic manipulation skills have a carryover to understanding higher-level mathematical concepts or is it just a spurious correlation?” Eighty-seven students were tested for their ability to do simple arithmetic and algebra by hand. These scores were then regressed on three important areas of quantitative analysis: recognizing the appropriate tool to use in an analysis, creating a model to carry out the analysis, and interpreting the results of the analysis. The study revealed a significant relationship between the ability to accurately do arithmetic calculations and the ability to recognize the appropriate tool and creating a model. It found no significant relationship between results interpretation and arithmetic skills.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hoette, Trisha Marie

    2012-03-01

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

  9. Quantitative image analysis of WE43-T6 cracking behavior

    Science.gov (United States)

    Ahmad, A.; Yahya, Z.

    2013-06-01

    Environment-assisted cracking of WE43 cast magnesium (4.2 wt.% Yt, 2.3 wt.% Nd, 0.7% Zr, 0.8% HRE) in the T6 peak-aged condition was induced in ambient air in notched specimens. The mechanism of fracture was studied using electron backscatter diffraction, serial sectioning and in situ observations of crack propagation. The intermetallic (rare earthed-enriched divorced intermetallic retained at grain boundaries and predominantly at triple points) material was found to play a significant role in initiating cracks which leads to failure of this material. Quantitative measurements were required for this project. The populations of the intermetallic and clusters of intermetallic particles were analyzed using image analysis of metallographic images. This is part of the work to generate a theoretical model of the effect of notch geometry on the static fatigue strength of this material.

  10. Quantitative microstructure analysis of polymer-modified mortars.

    Science.gov (United States)

    Jenni, A; Herwegh, M; Zurbriggen, R; Aberle, T; Holzer, L

    2003-11-01

    Digital light, fluorescence and electron microscopy in combination with wavelength-dispersive spectroscopy were used to visualize individual polymers, air voids, cement phases and filler minerals in a polymer-modified cementitious tile adhesive. In order to investigate the evolution and processes involved in formation of the mortar microstructure, quantifications of the phase distribution in the mortar were performed including phase-specific imaging and digital image analysis. The required sample preparation techniques and imaging related topics are discussed. As a form of case study, the different techniques were applied to obtain a quantitative characterization of a specific mortar mixture. The results indicate that the mortar fractionates during different stages ranging from the early fresh mortar until the final hardened mortar stage. This induces process-dependent enrichments of the phases at specific locations in the mortar. The approach presented provides important information for a comprehensive understanding of the functionality of polymer-modified mortars.

  11. Ozone Determination: A Comparison of Quantitative Analysis Methods

    Directory of Open Access Journals (Sweden)

    Rachmat Triandi Tjahjanto

    2012-10-01

    Full Text Available A comparison of ozone quantitative analysis methods by using spectrophotometric and volumetric method has been studied. The aim of this research is to determine the better method by considering the effect of reagent concentration and volume on the measured ozone concentration. Ozone which was analyzed in this research was synthesized from air, then it is used to ozonize methyl orange and potassium iodide solutions at different concentration and volume. Ozonation was held for 20 minutes with 363 mL/minutes air flow rates. The concentrations of ozonized methyl orange and potassium iodide solutions was analyzed by spectrophotometric and volumetric method, respectively. The result of this research shows that concentration and volume of reagent having an effect on the measured ozone concentration. Based on the results of both methods, it can be concluded that volumetric method is better than spectrophotometric method.

  12. Quantitative genetic analysis of injury liability in infants and toddlers

    Energy Technology Data Exchange (ETDEWEB)

    Phillips, K.; Matheny, A.P. Jr. [Univ. of Louisville Medical School, KY (United States)

    1995-02-27

    A threshold model of latent liability was applied to infant and toddler twin data on total count of injuries sustained during the interval from birth to 36 months of age. A quantitative genetic analysis of estimated twin correlations in injury liability indicated strong genetic dominance effects, but no additive genetic variance was detected. Because interpretations involving overdominance have little research support, the results may be due to low order epistasis or other interaction effects. Boys had more injuries than girls, but this effect was found only for groups whose parents were prompted and questioned in detail about their children`s injuries. Activity and impulsivity are two behavioral predictors of childhood injury, and the results are discussed in relation to animal research on infant and adult activity levels, and impulsivity in adult humans. Genetic epidemiological approaches to childhood injury should aid in targeting higher risk children for preventive intervention. 30 refs., 4 figs., 3 tabs.

  13. Quantitative analysis of forest island pattern in selected Ohio landscapes

    Energy Technology Data Exchange (ETDEWEB)

    Bowen, G.W.; Burgess, R.L.

    1981-07-01

    The purpose of this study was to quantitatively describe the various aspects of regional distribution patterns of forest islands and relate those patterns to other landscape features. Several maps showing the forest cover of various counties in Ohio were selected as representative examples of forest patterns to be quantified. Ten thousand hectare study areas (landscapes) were delineated on each map. A total of 15 landscapes representing a wide variety of forest island patterns was chosen. Data were converted into a series of continuous variables which contained information pertinent to the sizes, shape, numbers, and spacing of woodlots within a landscape. The continuous variables were used in a factor analysis to describe the variation among landscapes in terms of forest island pattern. The results showed that forest island patterns are related to topography and other environmental features correlated with topography.

  14. Large-Scale Quantitative Analysis of Painting Arts

    Science.gov (United States)

    Kim, Daniel; Son, Seung-Woo; Jeong, Hawoong

    2014-12-01

    Scientists have made efforts to understand the beauty of painting art in their own languages. As digital image acquisition of painting arts has made rapid progress, researchers have come to a point where it is possible to perform statistical analysis of a large-scale database of artistic paints to make a bridge between art and science. Using digital image processing techniques, we investigate three quantitative measures of images - the usage of individual colors, the variety of colors, and the roughness of the brightness. We found a difference in color usage between classical paintings and photographs, and a significantly low color variety of the medieval period. Interestingly, moreover, the increment of roughness exponent as painting techniques such as chiaroscuro and sfumato have advanced is consistent with historical circumstances.

  15. Quantitative analysis of secretome from adipocytes regulated by insulin

    Institute of Scientific and Technical Information of China (English)

    Hu Zhou; Yuanyuan Xiao; Rongxia Li; Shangyu Hong; Sujun Li; Lianshui Wang; Rong Zeng; Kan Liao

    2009-01-01

    Adipocyte is not only a central player involved in storage and release of energy, but also in regulation of energy metabolism in other organs via secretion of pep-tides and proteins. During the pathogenesis of insulin resistance and type 2 diabetes, adipocytes are subjected to the increased levels of insulin, which may have a major impact on the secretion of adipokines. We have undertaken cleavable isotope-coded affinity tag (clCAT) and label-free quantitation approaches to identify and quantify secretory factors that are differen-tially secreted by 3T3-LI adipocytes with or without insulin treatment. Combination of clCAT and label-free results, there are 317 proteins predicted or annotated as secretory proteins. Among these secretory proteins, 179 proteins and 53 proteins were significantly up-regulated and down-regulated, respectively. A total of 77 reported adipokines were quantified in our study, such as adiponectin, cathepsin D, cystatin C, resistin, and transferrin. Western blot analysis of these adipo-kines confirmed the quantitative results from mass spectrometry, and revealed individualized secreting pat-terns of these proteins by increasing insulin dose. In addition, 240 proteins were newly identified and quanti-fied as secreted proteins from 3T3-L1 adipocytes in our study, most of which were up-regulated upon insulin treatment. Further comprehensive bioinformatics analysis revealed that the secretory proteins in extra-cellular matrix-receptor interaction pathway and glycan structure degradation pathway were significantly up-regulated by insulin stimulation.

  16. PIQMIe: A web server for semi-quantitative proteomics data management and analysis

    NARCIS (Netherlands)

    A. Kuzniar (Arnold); R. Kanaar (Roland)

    2014-01-01

    textabstractWe present the Proteomics Identifications and Quantitations Data Management and Integration Service or PIQMIe that aids in reliable and scalable data management, analysis and visualization of semi-quantitative mass spectrometry based proteomics experiments. PIQMIe readily integrates pept

  17. Novel quantitative methods for characterization of chemical induced functional alteration in developing neuronal cultures

    Science.gov (United States)

    ABSTRACT BODY: Thousands of chemicals lack adequate testing for adverse effects on nervous system development, stimulating research into alternative methods to screen chemicals for potential developmental neurotoxicity. Microelectrode arrays (MEA) collect action potential spiking...

  18. Quantitative structure-property relationships for chemical functional use and weight fractions in consumer articles

    Science.gov (United States)

    Chemical functional use -- the functional role a chemical plays in processes or products -- may be a useful heuristic for predicting human exposure potential in that it comprises information about the compound's likely physical properties and the product formulations or articles ...

  19. Automatic quantitative analysis of cardiac MR perfusion images

    Science.gov (United States)

    Breeuwer, Marcel M.; Spreeuwers, Luuk J.; Quist, Marcel J.

    2001-07-01

    Magnetic Resonance Imaging (MRI) is a powerful technique for imaging cardiovascular diseases. The introduction of cardiovascular MRI into clinical practice is however hampered by the lack of efficient and accurate image analysis methods. This paper focuses on the evaluation of blood perfusion in the myocardium (the heart muscle) from MR images, using contrast-enhanced ECG-triggered MRI. We have developed an automatic quantitative analysis method, which works as follows. First, image registration is used to compensate for translation and rotation of the myocardium over time. Next, the boundaries of the myocardium are detected and for each position within the myocardium a time-intensity profile is constructed. The time interval during which the contrast agent passes for the first time through the left ventricle and the myocardium is detected and various parameters are measured from the time-intensity profiles in this interval. The measured parameters are visualized as color overlays on the original images. Analysis results are stored, so that they can later on be compared for different stress levels of the heart. The method is described in detail in this paper and preliminary validation results are presented.

  20. QTL analysis for some quantitative traits in bread wheat

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Quantitative trait loci (QTL) analysis was conducted in bread wheat for 14 important traits utilizing data from four different mapping populations involving different approaches of QTL analysis. Analysis for grain protein content (GPC) suggested that the major part of genetic variation for this trait is due to environmental interactions. In contrast, pre-harvest sprouting tolerance (PHST) was controlled mainly by main effect QTL (M-QTL) with very little genetic variation due to environmental interactions; a major QTL for PHST was detected on chromosome arm 3AL. For grain weight, one QTL each was detected on chromosome arms 1AS, 2BS and 7AS. QTL for 4 growth related traits taken together detected by different methods ranged from 37 to 40; nine QTL that were detected by single-locus as well as two-locus analyses were all M-QTL. Similarly, single-locus and two-locus QTL analyses for seven yield and yield contributing traits in two populations respectively allowed detection of 25 and 50 QTL by composite interval mapping (CIM), 16 and 25 QTL by multiple-trait composite interval mapping (MCIM) and 38 and 37 QTL by two-locus analyses. These studies should prove useful in QTL cloning and wheat improvement through marker aided selection.

  1. The potential of computer-based quantitative structure activity approaches for predicting acute toxicity of chemicals

    NARCIS (Netherlands)

    Zvinavashe, E.

    2008-01-01

    Within the EU, the management of the risks of chemicals currently falls under a new legislation called Registration, Evaluation, and Authorization of Chemicals (REACH). Within the next 10 years, existing (eco)toxicological data gaps for the more than 100 000 chemicals on the European Inventory of E

  2. An approach for quantitative image quality analysis for CT

    Science.gov (United States)

    Rahimi, Amir; Cochran, Joe; Mooney, Doug; Regensburger, Joe

    2016-03-01

    An objective and standardized approach to assess image quality of Compute Tomography (CT) systems is required in a wide variety of imaging processes to identify CT systems appropriate for a given application. We present an overview of the framework we have developed to help standardize and to objectively assess CT image quality for different models of CT scanners used for security applications. Within this framework, we have developed methods to quantitatively measure metrics that should correlate with feature identification, detection accuracy and precision, and image registration capabilities of CT machines and to identify strengths and weaknesses in different CT imaging technologies in transportation security. To that end we have designed, developed and constructed phantoms that allow for systematic and repeatable measurements of roughly 88 image quality metrics, representing modulation transfer function, noise equivalent quanta, noise power spectra, slice sensitivity profiles, streak artifacts, CT number uniformity, CT number consistency, object length accuracy, CT number path length consistency, and object registration. Furthermore, we have developed a sophisticated MATLAB based image analysis tool kit to analyze CT generated images of phantoms and report these metrics in a format that is standardized across the considered models of CT scanners, allowing for comparative image quality analysis within a CT model or between different CT models. In addition, we have developed a modified sparse principal component analysis (SPCA) method to generate a modified set of PCA components as compared to the standard principal component analysis (PCA) with sparse loadings in conjunction with Hotelling T2 statistical analysis method to compare, qualify, and detect faults in the tested systems.

  3. A Quantitative High-Throughput Screening Data Analysis Pipeline for Activity Profiling.

    Science.gov (United States)

    Huang, Ruili

    2016-01-01

    The US Tox21 program has developed in vitro assays to test large collections of environmental chemicals in a quantitative high-throughput screening (qHTS) format, using triplicate 15-dose titrations to generate over 50 million data points to date. Counter screens are also employed to minimize interferences from non-target-specific assay artifacts, such as compound auto fluorescence and cytotoxicity. New data analysis approaches are needed to integrate these data and characterize the activities observed from these assays. Here, we describe a complete analysis pipeline that evaluates these qHTS data for technical quality in terms of signal reproducibility. We integrate signals from repeated assay runs, primary readouts, and counter screens to produce a final call on on-target compound activity.

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

    Science.gov (United States)

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

    2007-10-01

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

  5. 磺基硫酸比浊法、干式化学法在尿蛋白定量检测中的比较%Analysis of suifosalicyHc sulfate turbidity and slide chemical quantitative method in proteinuria detection

    Institute of Scientific and Technical Information of China (English)

    赵熹君; 赵瑞英

    2009-01-01

    Objective To compare the sulfosalJcylic sulfate turbidity and slide chemical quantitative method for detection of the protein concentration in 24-hour urine samples. Methods To measure the protein concen-tration in 24-hour urine samples respectively with two kinds of method according to their instructions for random 48 cases of outpatients and inpatients. Results sulfosalicylic sulfate turbidity was significantly different from slide chemical quantitative method for detection of the protein concentration in 24-hour urine specimens. Con-clusion sulfosalicylic stdfate turbidity quantitative method is not suitable for measuring protein concentration in urine.%目的 通过24 h尿蛋白标本的争检测,比较磺基硫酸比浊定量法和干式化学定量法在尿蛋白定量检测中的差别.方法 我院随机门诊、住院病人48例24 h尿液标本,按说明书要求,经两种方法分别进行标本检测,测定24 h尿蛋白数值.结果 磺基硫酸比浊定量法和干式化学定量法在24 h尿蛋白标本的检测中存在差异(t=5.756,P<0.05).结论 磺基硫酸比浊定量法已不适宜用于临床尿蛋白定量检测.

  6. Quantitative analysis with the optoacoustic/ultrasound system OPUS

    Science.gov (United States)

    Haisch, Christoph; Zell, Karin; Sperl, Jonathan; Vogel, Mika W.; Niessner, Reinhard

    2009-02-01

    The OPUS (Optoacoustic plus Ultrasound) system is a combination of a medical ultrasound scanner with a highrepetition rate, wavelength-tunable laser system and a suitable triggering interface to synchronize the laser and the ultrasound system. The pulsed laser generates an optoacoustic (OA), or photoacoustic (PA), signal which is detected by the ultrasound system. Alternatively, imaging in conventional ultrasound mode can be performed. Both imaging modes can be superimposed. The laser light is coupled into the tissue laterally, parallel to the ultrasound transducer, which does not require for any major modification to the transducer or the ultrasound beam forming. This was a basic requirement on the instrument, as the intention of the project was to establish the optoacoustic imaging modality as add-on to a conventional standard ultrasound instrument. We believe that this approach may foster the introduction of OA imaging as routine tool in medical diagnosis. Another key aspect of the project was to exploit the capabilities of OA imaging for quantitative analysis. The intention of the presented work is to summarize all steps necessary to extract the significant information from the PA raw data, which are required for the quantification of local absorber distributions. We show results of spatially resolved absorption measurements in scattering samples and a comparison of four different image reconstruction algorithms, regarding their influence on lateral resolution as well as on the signal to noise ratio for different sample depths and absorption values. The reconstruction algorithms are based on Fourier transformation, on a generalized 2D Hough transformation, on circular back-projection and the classical delay-and-sum approach which is implemented in most ultrasound scanners. Furthermore, we discuss the influence of a newly developed laser source, combining diode and flash lamp pumping. Compared to all-flash-lamp pumped systems it features a significantly higher

  7. Quantitative analysis and parametric display of regional myocardial mechanics

    Science.gov (United States)

    Eusemann, Christian D.; Bellemann, Matthias E.; Robb, Richard A.

    2000-04-01

    Quantitative assessment of regional heart motion has significant potential for more accurate diagnosis of heart disease and/or cardiac irregularities. Local heart motion may be studied from medical imaging sequences. Using functional parametric mapping, regional myocardial motion during a cardiac cycle can be color mapped onto a deformable heart model to obtain better understanding of the structure- to-function relationships in the myocardium, including regional patterns of akinesis or diskinesis associated with ischemia or infarction. In this study, 3D reconstructions were obtained from the Dynamic Spatial Reconstructor at 15 time points throughout one cardiac cycle of pre-infarct and post-infarct hearts. Deformable models were created from the 3D images for each time point of the cardiac cycles. Form these polygonal models, regional excursions and velocities of each vertex representing a unit of myocardium were calculated for successive time-intervals. The calculated results were visualized through model animations and/or specially formatted static images. The time point of regional maximum velocity and excursion of myocardium through the cardiac cycle was displayed using color mapping. The absolute value of regional maximum velocity and maximum excursion were displayed in a similar manner. Using animations, the local myocardial velocity changes were visualized as color changes on the cardiac surface during the cardiac cycle. Moreover, the magnitude and direction of motion for individual segments of myocardium could be displayed. Comparison of these dynamic parametric displays suggest that the ability to encode quantitative functional information on dynamic cardiac anatomy enhances the diagnostic value of 4D images of the heart. Myocardial mechanics quantified this way adds a new dimension to the analysis of cardiac functional disease, including regional patterns of akinesis and diskinesis associated with ischemia and infarction. Similarly, disturbances in

  8. Quantitative DNA methylation analysis of candidate genes in cervical cancer.

    Directory of Open Access Journals (Sweden)

    Erin M Siegel

    Full Text Available Aberrant DNA methylation has been observed in cervical cancer; however, most studies have used non-quantitative approaches to measure DNA methylation. The objective of this study was to quantify methylation within a select panel of genes previously identified as targets for epigenetic silencing in cervical cancer and to identify genes with elevated methylation that can distinguish cancer from normal cervical tissues. We identified 49 women with invasive squamous cell cancer of the cervix and 22 women with normal cytology specimens. Bisulfite-modified genomic DNA was amplified and quantitative pyrosequencing completed for 10 genes (APC, CCNA, CDH1, CDH13, WIF1, TIMP3, DAPK1, RARB, FHIT, and SLIT2. A Methylation Index was calculated as the mean percent methylation across all CpG sites analyzed per gene (~4-9 CpG site per sequence. A binary cut-point was defined at >15% methylation. Sensitivity, specificity and area under ROC curve (AUC of methylation in individual genes or a panel was examined. The median methylation index was significantly higher in cases compared to controls in 8 genes, whereas there was no difference in median methylation for 2 genes. Compared to HPV and age, the combination of DNA methylation level of DAPK1, SLIT2, WIF1 and RARB with HPV and age significantly improved the AUC from 0.79 to 0.99 (95% CI: 0.97-1.00, p-value = 0.003. Pyrosequencing analysis confirmed that several genes are common targets for aberrant methylation in cervical cancer and DNA methylation level of four genes appears to increase specificity to identify cancer compared to HPV detection alone. Alterations in DNA methylation of specific genes in cervical cancers, such as DAPK1, RARB, WIF1, and SLIT2, may also occur early in cervical carcinogenesis and should be evaluated.

  9. Quantitative DNA methylation analysis of candidate genes in cervical cancer.

    Science.gov (United States)

    Siegel, Erin M; Riggs, Bridget M; Delmas, Amber L; Koch, Abby; Hakam, Ardeshir; Brown, Kevin D

    2015-01-01

    Aberrant DNA methylation has been observed in cervical cancer; however, most studies have used non-quantitative approaches to measure DNA methylation. The objective of this study was to quantify methylation within a select panel of genes previously identified as targets for epigenetic silencing in cervical cancer and to identify genes with elevated methylation that can distinguish cancer from normal cervical tissues. We identified 49 women with invasive squamous cell cancer of the cervix and 22 women with normal cytology specimens. Bisulfite-modified genomic DNA was amplified and quantitative pyrosequencing completed for 10 genes (APC, CCNA, CDH1, CDH13, WIF1, TIMP3, DAPK1, RARB, FHIT, and SLIT2). A Methylation Index was calculated as the mean percent methylation across all CpG sites analyzed per gene (~4-9 CpG site) per sequence. A binary cut-point was defined at >15% methylation. Sensitivity, specificity and area under ROC curve (AUC) of methylation in individual genes or a panel was examined. The median methylation index was significantly higher in cases compared to controls in 8 genes, whereas there was no difference in median methylation for 2 genes. Compared to HPV and age, the combination of DNA methylation level of DAPK1, SLIT2, WIF1 and RARB with HPV and age significantly improved the AUC from 0.79 to 0.99 (95% CI: 0.97-1.00, p-value = 0.003). Pyrosequencing analysis confirmed that several genes are common targets for aberrant methylation in cervical cancer and DNA methylation level of four genes appears to increase specificity to identify cancer compared to HPV detection alone. Alterations in DNA methylation of specific genes in cervical cancers, such as DAPK1, RARB, WIF1, and SLIT2, may also occur early in cervical carcinogenesis and should be evaluated.

  10. Quantitative and Qualitative Analysis of Surface Modified Cellulose Utilizing TGA-MS

    Directory of Open Access Journals (Sweden)

    Daniel Loof

    2016-05-01

    Full Text Available With the aim to enhance interfacial adhesion of a hydrophobic polymer matrix and cellulosic fibers and fillers, chemical surface modifications with silane coupling agents are performed. Thermogravimetric analysis (TGA could be used to determine the degree of surface functionalization. However, similar thermal properties of treated and untreated cellulose hamper a precise determination of silane loading. This contribution deals with quantitative determination of silane loading combining both TGA and elemental analysis. Firstly, silane modified celluloses were studied by FT-IR, Raman, solid state NMR spectroscopy, and polarized light microscopy in order to determine functional groups and to study the impact of chemical treatment on cellulose morphology. Secondly, thermal stability and pyrolysis processes were studied by TG-MS analysis. In order to determine the exact silane loading, the mass percentages of the appropriate elements were quantified by elemental analysis and correlated with the charred residues determined by TGA yielding a linear dependency. With that correlation, it was possible to determine silane loadings for additional samples utilizing simple TGA measurements. The main advantage of that approach is that only one calibration is necessary for routine analyses of further samples and TGA-MS coupling gives additional information on thermal stability and pyrolysis routes, simultaneously.

  11. Quantitative Phosphoproteomics Analysis of ERBB3/ERBB4 Signaling.

    Science.gov (United States)

    Wandinger, Sebastian K; Lahortiga, Idoya; Jacobs, Kris; Klammer, Martin; Jordan, Nicole; Elschenbroich, Sarah; Parade, Marc; Jacoby, Edgar; Linders, Joannes T M; Brehmer, Dirk; Cools, Jan; Daub, Henrik

    2016-01-01

    The four members of the epidermal growth factor receptor (EGFR/ERBB) family form homo- and heterodimers which mediate ligand-specific regulation of many key cellular processes in normal and cancer tissues. While signaling through the EGFR has been extensively studied on the molecular level, signal transduction through ERBB3/ERBB4 heterodimers is less well understood. Here, we generated isogenic mouse Ba/F3 cells that express full-length and functional membrane-integrated ERBB3 and ERBB4 or ERBB4 alone, to serve as a defined cellular model for biological and phosphoproteomics analysis of ERBB3/ERBB4 signaling. ERBB3 co-expression significantly enhanced Ba/F3 cell proliferation upon neuregulin-1 (NRG1) treatment. For comprehensive signaling studies we performed quantitative mass spectrometry (MS) experiments to compare the basal ERBB3/ERBB4 cell phosphoproteome to NRG1 treatment of ERBB3/ERBB4 and ERBB4 cells. We employed a workflow comprising differential isotope labeling with mTRAQ reagents followed by chromatographic peptide separation and final phosphopeptide enrichment prior to MS analysis. Overall, we identified 9686 phosphorylation sites which could be confidently localized to specific residues. Statistical analysis of three replicate experiments revealed 492 phosphorylation sites which were significantly changed in NRG1-treated ERBB3/ERBB4 cells. Bioinformatics data analysis recapitulated regulation of mitogen-activated protein kinase and Akt pathways, but also indicated signaling links to cytoskeletal functions and nuclear biology. Comparative assessment of NRG1-stimulated ERBB4 Ba/F3 cells revealed that ERBB3 did not trigger defined signaling pathways but more broadly enhanced phosphoproteome regulation in cells expressing both receptors. In conclusion, our data provide the first global picture of ERBB3/ERBB4 signaling and provide numerous potential starting points for further mechanistic studies.

  12. Quantitative Phosphoproteomics Analysis of ERBB3/ERBB4 Signaling.

    Directory of Open Access Journals (Sweden)

    Sebastian K Wandinger

    Full Text Available The four members of the epidermal growth factor receptor (EGFR/ERBB family form homo- and heterodimers which mediate ligand-specific regulation of many key cellular processes in normal and cancer tissues. While signaling through the EGFR has been extensively studied on the molecular level, signal transduction through ERBB3/ERBB4 heterodimers is less well understood. Here, we generated isogenic mouse Ba/F3 cells that express full-length and functional membrane-integrated ERBB3 and ERBB4 or ERBB4 alone, to serve as a defined cellular model for biological and phosphoproteomics analysis of ERBB3/ERBB4 signaling. ERBB3 co-expression significantly enhanced Ba/F3 cell proliferation upon neuregulin-1 (NRG1 treatment. For comprehensive signaling studies we performed quantitative mass spectrometry (MS experiments to compare the basal ERBB3/ERBB4 cell phosphoproteome to NRG1 treatment of ERBB3/ERBB4 and ERBB4 cells. We employed a workflow comprising differential isotope labeling with mTRAQ reagents followed by chromatographic peptide separation and final phosphopeptide enrichment prior to MS analysis. Overall, we identified 9686 phosphorylation sites which could be confidently localized to specific residues. Statistical analysis of three replicate experiments revealed 492 phosphorylation sites which were significantly changed in NRG1-treated ERBB3/ERBB4 cells. Bioinformatics data analysis recapitulated regulation of mitogen-activated protein kinase and Akt pathways, but also indicated signaling links to cytoskeletal functions and nuclear biology. Comparative assessment of NRG1-stimulated ERBB4 Ba/F3 cells revealed that ERBB3 did not trigger defined signaling pathways but more broadly enhanced phosphoproteome regulation in cells expressing both receptors. In conclusion, our data provide the first global picture of ERBB3/ERBB4 signaling and provide numerous potential starting points for further mechanistic studies.

  13. Quantitative evaluation of midpalatal suture maturation via fractal analysis

    Science.gov (United States)

    Kwak, Kyoung Ho; Kim, Yong-Il; Kim, Yong-Deok

    2016-01-01

    Objective The purpose of this study was to determine whether the results of fractal analysis can be used as criteria for midpalatal suture maturation evaluation. Methods The study included 131 subjects aged over 18 years of age (range 18.1–53.4 years) who underwent cone-beam computed tomography. Skeletonized images of the midpalatal suture were obtained via image processing software and used to calculate fractal dimensions. Correlations between maturation stage and fractal dimensions were calculated using Spearman's correlation coefficient. Optimal fractal dimension cut-off values were determined using a receiver operating characteristic curve. Results The distribution of maturation stages of the midpalatal suture according to the cervical vertebrae maturation index was highly variable, and there was a strong negative correlation between maturation stage and fractal dimension (−0.623, p Fractal dimension was a statistically significant indicator of dichotomous results with regard to maturation stage (area under curve = 0.794, p fractal dimension was used to predict the resulting variable that splits maturation stages into ABC and D or E yielded an optimal fractal dimension cut-off value of 1.0235. Conclusions There was a strong negative correlation between fractal dimension and midpalatal suture maturation. Fractal analysis is an objective quantitative method, and therefore we suggest that it may be useful for the evaluation of midpalatal suture maturation. PMID:27668195

  14. Therapeutic electrical stimulation for spasticity: quantitative gait analysis.

    Science.gov (United States)

    Pease, W S

    1998-01-01

    Improvement in motor function following electrical stimulation is related to strengthening of the stimulated spastic muscle and inhibition of the antagonist. A 26-year-old man with familial spastic paraparesis presented with gait dysfunction and bilateral lower limb spastic muscle tone. Clinically, muscle strength and sensation were normal. He was considered appropriate for a trial of therapeutic electrical stimulation following failed trials of physical therapy and baclofen. No other treatment was used concurrent with the electrical stimulation. Before treatment, quantitative gait analysis revealed 63% of normal velocity and a crouched gait pattern, associated with excessive electromyographic activity in the hamstrings and gastrocnemius muscles. Based on these findings, bilateral stimulation of the quadriceps and anterior compartment musculature was performed two to three times per week for three months. Repeat gait analysis was conducted three weeks after the cessation of stimulation treatment. A 27% increase in velocity was noted associated with an increase in both cadence and right step length. Right hip and bilateral knee stance motion returned to normal (rather than "crouched"). No change in the timing of dynamic electromyographic activity was seen. These findings suggest a role for the use of electrical stimulation for rehabilitation of spasticity. The specific mechanism of this improvement remains uncertain.

  15. Comprehensive Quantitative Analysis of Ovarian and Breast Cancer Tumor Peptidomes

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhe; Wu, Chaochao; Xie, Fang; Slysz, Gordon W.; Tolic, Nikola; Monroe, Matthew E.; Petyuk, Vladislav A.; Payne, Samuel H.; Fujimoto, Grant M.; Moore, Ronald J.; Fillmore, Thomas L.; Schepmoes, Athena A.; Levine, Douglas; Townsend, Reid; Davies, Sherri; Li, Shunqiang; Ellis, Matthew; Boja, Emily; Rivers, Robert; Rodriguez, Henry; Rodland, Karin D.; Liu, Tao; Smith, Richard D.

    2015-01-02

    Aberrant degradation of proteins is associated with many pathological states, including cancers. Mass spectrometric analysis of tumor peptidomes, the intracellular and intercellular products of protein degradation, has the potential to provide biological insights on proteolytic processing in cancer. However, attempts to use the information on these smaller protein degradation products from tumors for biomarker discovery and cancer biology studies have been fairly limited to date, largely due to the lack of effective approaches for robust peptidomics identification and quantification, and the prevalence of confounding factors and biases associated with sample handling and processing. Herein, we have developed an effective and robust analytical platform for comprehensive analyses of tissue peptidomes, which is suitable for high throughput quantitative studies. The reproducibility and coverage of the platform, as well as the suitability of clinical ovarian tumor and patient-derived breast tumor xenograft samples with post-excision delay of up to 60 min before freezing for peptidomics analysis, have been demonstrated. Moreover, our data also show that the peptidomics profiles can effectively separate breast cancer subtypes, reflecting tumor-associated protease activities. Peptidomics complements results obtainable from conventional bottom-up proteomics, and provides insights not readily obtainable from such approaches.

  16. Black tea: chemical analysis and stability.

    Science.gov (United States)

    Li, Shiming; Lo, Chih-Yu; Pan, Min-Hsiung; Lai, Ching-Shu; Ho, Chi-Tang

    2013-01-01

    Tea is the most popular flavored and functional drink worldwide. The nutritional value of tea is mostly from the tea polyphenols that are reported to possess a broad spectrum of biological activities, including anti-oxidant properties, reduction of various cancers, inhibition of inflammation, and protective effects against diabetes, hyperlipidemia and obesity. Tea polyphenols include catechins and gallic acid in green and white teas, and theaflavins and thearubigins as well as other catechin polymers in black and oolong teas. Accurate analysis of black tea polyphenols plays a significant role in the identification of black tea contents, quality control of commercial tea beverages and extracts, differentiation of various contents of theaflavins and catechins and correlations of black tea identity and quality with biological activity, and most importantly, the establishment of the relationship between quantitative tea polyphenol content and its efficacy in animal or human studies. Global research in tea polyphenols has generated much in vitro and in vivo data rationally correlating tea polyphenols with their preventive and therapeutic properties in human diseases such as cancer, and metabolic and cardiovascular diseases etc. Based on these scientific findings, numerous tea products have been developed including flavored tea drinks, tea-based functional drinks, tea extracts and concentrates, and dietary supplements and food ingredients, demonstrating the broad applications of tea and its extracts, particularly in the field of functional food.

  17. Quantitation of low molecular weight sugars by chemical derivatization-liquid chromatography/multiple reaction monitoring/mass spectrometry.

    Science.gov (United States)

    Han, Jun; Lin, Karen; Sequria, Carita; Yang, Juncong; Borchers, Christoph H

    2016-07-01

    A new method for the separation and quantitation of 13 mono- and disaccharides has been developed by chemical derivatization/ultra-HPLC/negative-ion ESI-multiple-reaction monitoring MS. 3-Nitrophenylhydrazine (at 50°C for 60 min) was shown to be able to quantitatively derivatize low-molecular weight (LMW) reducing sugars. The nonreducing sugar, sucrose, was not derivatized. A pentafluorophenyl-bonded phase column was used for the chromatographic separation of the derivatized sugars. This method exhibits femtomole-level sensitivity, high precision (CVs of ≤ 4.6%) and high accuracy for the quantitation of LMW sugars in wine. Excellent linearity (R(2) ≥ 0.9993) and linear ranges of ∼500-fold for disaccharides and ∼1000-4000-fold for monosaccharides were achieved. With internal calibration ((13) C-labeled internal standards), recoveries were between 93.6% ± 1.6% (xylose) and 104.8% ± 5.2% (glucose). With external calibration, recoveries ranged from 82.5% ± 0.8% (ribulose) to 105.2% ± 2.1% (xylulose). Quantitation of sugars in two red wines and two white wines was performed using this method; quantitation of the central carbon metabolism-related carboxylic acids and tartaric acid was carried out using a previously established derivatization procedure with 3-nitrophenylhydrazine as well. The results showed that these two classes of compounds-both of which have important organoleptic properties-had different compositions in red and white wines.

  18. Applying Qualitative Hazard Analysis to Support Quantitative Safety Analysis for Proposed Reduced Wake Separation Conops

    Science.gov (United States)

    Shortle, John F.; Allocco, Michael

    2005-01-01

    This paper describes a scenario-driven hazard analysis process to identify, eliminate, and control safety-related risks. Within this process, we develop selective criteria to determine the applicability of applying engineering modeling to hypothesized hazard scenarios. This provides a basis for evaluating and prioritizing the scenarios as candidates for further quantitative analysis. We have applied this methodology to proposed concepts of operations for reduced wake separation for closely spaced parallel runways. For arrivals, the process identified 43 core hazard scenarios. Of these, we classified 12 as appropriate for further quantitative modeling, 24 that should be mitigated through controls, recommendations, and / or procedures (that is, scenarios not appropriate for quantitative modeling), and 7 that have the lowest priority for further analysis.

  19. Evaluating the Quantitative Capabilities of Metagenomic Analysis Software.

    Science.gov (United States)

    Kerepesi, Csaba; Grolmusz, Vince

    2016-05-01

    DNA sequencing technologies are applied widely and frequently today to describe metagenomes, i.e., microbial communities in environmental or clinical samples, without the need for culturing them. These technologies usually return short (100-300 base-pairs long) DNA reads, and these reads are processed by metagenomic analysis software that assign phylogenetic composition-information to the dataset. Here we evaluate three metagenomic analysis software (AmphoraNet--a webserver implementation of AMPHORA2--, MG-RAST, and MEGAN5) for their capabilities of assigning quantitative phylogenetic information for the data, describing the frequency of appearance of the microorganisms of the same taxa in the sample. The difficulties of the task arise from the fact that longer genomes produce more reads from the same organism than shorter genomes, and some software assign higher frequencies to species with longer genomes than to those with shorter ones. This phenomenon is called the "genome length bias." Dozens of complex artificial metagenome benchmarks can be found in the literature. Because of the complexity of those benchmarks, it is usually difficult to judge the resistance of a metagenomic software to this "genome length bias." Therefore, we have made a simple benchmark for the evaluation of the "taxon-counting" in a metagenomic sample: we have taken the same number of copies of three full bacterial genomes of different lengths, break them up randomly to short reads of average length of 150 bp, and mixed the reads, creating our simple benchmark. Because of its simplicity, the benchmark is not supposed to serve as a mock metagenome, but if a software fails on that simple task, it will surely fail on most real metagenomes. We applied three software for the benchmark. The ideal quantitative solution would assign the same proportion to the three bacterial taxa. We have found that AMPHORA2/AmphoraNet gave the most accurate results and the other two software were under

  20. Quantitative analysis of left ventricular strain using cardiac computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Buss, Sebastian J., E-mail: sebastian.buss@med.uni-heidelberg.de [Department of Cardiology, University of Heidelberg, 69120 Heidelberg (Germany); Schulz, Felix; Mereles, Derliz [Department of Cardiology, University of Heidelberg, 69120 Heidelberg (Germany); Hosch, Waldemar [Department of Diagnostic and Interventional Radiology, University of Heidelberg, 69120 Heidelberg (Germany); Galuschky, Christian; Schummers, Georg; Stapf, Daniel [TomTec Imaging Systems GmbH, Munich (Germany); Hofmann, Nina; Giannitsis, Evangelos; Hardt, Stefan E. [Department of Cardiology, University of Heidelberg, 69120 Heidelberg (Germany); Kauczor, Hans-Ulrich [Department of Diagnostic and Interventional Radiology, University of Heidelberg, 69120 Heidelberg (Germany); Katus, Hugo A.; Korosoglou, Grigorios [Department of Cardiology, University of Heidelberg, 69120 Heidelberg (Germany)

    2014-03-15

    Objectives: To investigate whether cardiac computed tomography (CCT) can determine left ventricular (LV) radial, circumferential and longitudinal myocardial deformation in comparison to two-dimensional echocardiography in patients with congestive heart failure. Background: Echocardiography allows for accurate assessment of strain with high temporal resolution. A reduced strain is associated with a poor prognosis in cardiomyopathies. However, strain imaging is limited in patients with poor echogenic windows, so that, in selected cases, tomographic imaging techniques may be preferable for the evaluation of myocardial deformation. Methods: Consecutive patients (n = 27) with congestive heart failure who underwent a clinically indicated ECG-gated contrast-enhanced 64-slice dual-source CCT for the evaluation of the cardiac veins prior to cardiac resynchronization therapy (CRT) were included. All patients underwent additional echocardiography. LV radial, circumferential and longitudinal strain and strain rates were analyzed in identical midventricular short axis, 4-, 2- and 3-chamber views for both modalities using the same prototype software algorithm (feature tracking). Time for analysis was assessed for both modalities. Results: Close correlations were observed for both techniques regarding global strain (r = 0.93, r = 0.87 and r = 0.84 for radial, circumferential and longitudinal strain, respectively, p < 0.001 for all). Similar trends were observed for regional radial, longitudinal and circumferential strain (r = 0.88, r = 0.84 and r = 0.94, respectively, p < 0.001 for all). The number of non-diagnostic myocardial segments was significantly higher with echocardiography than with CCT (9.6% versus 1.9%, p < 0.001). In addition, the required time for complete quantitative strain analysis was significantly shorter for CCT compared to echocardiography (877 ± 119 s per patient versus 1105 ± 258 s per patient, p < 0.001). Conclusion: Quantitative assessment of LV strain

  1. Automated quantitative gait analysis in animal models of movement disorders

    Directory of Open Access Journals (Sweden)

    Vandeputte Caroline

    2010-08-01

    Full Text Available Abstract Background Accurate and reproducible behavioral tests in animal models are of major importance in the development and evaluation of new therapies for central nervous system disease. In this study we investigated for the first time gait parameters of rat models for Parkinson's disease (PD, Huntington's disease (HD and stroke using the Catwalk method, a novel automated gait analysis test. Static and dynamic gait parameters were measured in all animal models, and these data were compared to readouts of established behavioral tests, such as the cylinder test in the PD and stroke rats and the rotarod tests for the HD group. Results Hemiparkinsonian rats were generated by unilateral injection of the neurotoxin 6-hydroxydopamine in the striatum or in the medial forebrain bundle. For Huntington's disease, a transgenic rat model expressing a truncated huntingtin fragment with multiple CAG repeats was used. Thirdly, a stroke model was generated by a photothrombotic induced infarct in the right sensorimotor cortex. We found that multiple gait parameters were significantly altered in all three disease models compared to their respective controls. Behavioural deficits could be efficiently measured using the cylinder test in the PD and stroke animals, and in the case of the PD model, the deficits in gait essentially confirmed results obtained by the cylinder test. However, in the HD model and the stroke model the Catwalk analysis proved more sensitive than the rotarod test and also added new and more detailed information on specific gait parameters. Conclusion The automated quantitative gait analysis test may be a useful tool to study both motor impairment and recovery associated with various neurological motor disorders.

  2. Nanotechnology patents in the automotive industry (a quantitative & qualitative analysis).

    Science.gov (United States)

    Prasad, Raghavendra; Bandyopadhyay, Tapas K

    2014-01-01

    The aim of the article is to present a trend in patent filings for application of nanotechnology to the automobile sector across the world, using the keyword-based patent search. Overviews of the patents related to nano technology in the automobile industry have been provided. The current work has started from the worldwide patent search to find the patents on nanotechnology in the automobile industry and classify the patents according to the various parts of an automobile to which they are related and the solutions which they are providing. In the next step various graphs have been produced to get an insight into various trends. In next step, analysis of patents in various classifications, have been performed. The trends shown in graphs provide the quantitative analysis whereas; the qualitative analysis has been done in another section. The classifications of patents based on the solution they provide have been performed by reading the claims, titles, abstract and full texts separately. Patentability of nano technology inventions have been discussed in a view to give an idea of requirements and statutory bars to the patentability of nanotechnology inventions. Another objective of the current work is to suggest appropriate framework for the companies regarding use of nano technology in the automobile industry and a suggestive strategy for patenting of the inventions related to the same. For example, US Patent, with patent number US2008-019426A1 discusses the invention related to Lubricant composition. This patent has been studied and classified to fall under classification of automobile parts. After studying this patent, it is deduced that, the problem of friction in engine is being solved by this patent. One classification is the "automobile part" based while other is the basis of "problem being solved". Hence, two classifications, namely reduction in friction and engine were created. Similarly, after studying all the patents, a similar matrix has been created.

  3. Quantitatively integrating molecular structure and bioactivity profile evidence into drug-target relationship analysis

    Directory of Open Access Journals (Sweden)

    Xu Tianlei

    2012-05-01

    Full Text Available Abstract Background Public resources of chemical compound are in a rapid growth both in quantity and the types of data-representation. To comprehensively understand the relationship between the intrinsic features of chemical compounds and protein targets is an essential task to evaluate potential protein-binding function for virtual drug screening. In previous studies, correlations were proposed between bioactivity profiles and target networks, especially when chemical structures were similar. With the lack of effective quantitative methods to uncover such correlation, it is demanding and necessary for us to integrate the information from multiple data sources to produce an comprehensive assessment of the similarity between small molecules, as well as quantitatively uncover the relationship between compounds and their targets by such integrated schema. Results In this study a multi-view based clustering algorithm was introduced to quantitatively integrate compound similarity from both bioactivity profiles and structural fingerprints. Firstly, a hierarchy clustering was performed with the fused similarity on 37 compounds curated from PubChem. Compared to clustering in a single view, the overall common target number within fused classes has been improved by using the integrated similarity, which indicated that the present multi-view based clustering is more efficient by successfully identifying clusters with its members sharing more number of common targets. Analysis in certain classes reveals that mutual complement of the two views for compound description helps to discover missing similar compound when only single view was applied. Then, a large-scale drug virtual screen was performed on 1267 compounds curated from Connectivity Map (CMap dataset based on the fused similarity, which obtained a better ranking result compared to that of single-view. These comprehensive tests indicated that by combining different data representations; an improved

  4. Quantitative analysis of polymorphic mixtures of ranitidine hydrochloride by Raman spectroscopy and principal components analysis.

    Science.gov (United States)

    Pratiwi, Destari; Fawcett, J Paul; Gordon, Keith C; Rades, Thomas

    2002-11-01

    Ranitidine hydrochloride exists as two polymorphs, forms I and II, both of which are used to manufacture commercial tablets. Raman spectroscopy can be used to differentiate the two forms but univariate methods of quantitative analysis of one polymorph as an impurity in the other lack sensitivity. We have applied principal components analysis (PCA) of Raman spectra to binary mixtures of the two polymorphs and to binary mixtures prepared by adding one polymorph to powdered tablets of the other. Based on absorption measurements of seven spectral regions, it was found that >97% of the spectral variation was accounted for by three principal components. Quantitative calibration models generated by multiple linear regression predicted a detection limit and quantitation limit for either forms I or II in mixtures of the two of 0.6 and 1.8%, respectively. This study demonstrates that PCA of Raman spectroscopic data provides a sensitive method for the quantitative analysis of polymorphic impurities of drugs in commercial tablets with a quantitation limit of less than 2%.

  5. An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data

    Directory of Open Access Journals (Sweden)

    Dommisse Roger

    2011-10-01

    Full Text Available Abstract Background Nuclear magnetic resonance spectroscopy (NMR is a powerful technique to reveal and compare quantitative metabolic profiles of biological tissues. However, chemical and physical sample variations make the analysis of the data challenging, and typically require the application of a number of preprocessing steps prior to data interpretation. For example, noise reduction, normalization, baseline correction, peak picking, spectrum alignment and statistical analysis are indispensable components in any NMR analysis pipeline. Results We introduce a novel suite of informatics tools for the quantitative analysis of NMR metabolomic profile data. The core of the processing cascade is a novel peak alignment algorithm, called hierarchical Cluster-based Peak Alignment (CluPA. The algorithm aligns a target spectrum to the reference spectrum in a top-down fashion by building a hierarchical cluster tree from peak lists of reference and target spectra and then dividing the spectra into smaller segments based on the most distant clusters of the tree. To reduce the computational time to estimate the spectral misalignment, the method makes use of Fast Fourier Transformation (FFT cross-correlation. Since the method returns a high-quality alignment, we can propose a simple methodology to study the variability of the NMR spectra. For each aligned NMR data point the ratio of the between-group and within-group sum of squares (BW-ratio is calculated to quantify the difference in variability between and within predefined groups of NMR spectra. This differential analysis is related to the calculation of the F-statistic or a one-way ANOVA, but without distributional assumptions. Statistical inference based on the BW-ratio is achieved by bootstrapping the null distribution from the experimental data. Conclusions The workflow performance was evaluated using a previously published dataset. Correlation maps, spectral and grey scale plots show clear

  6. Quantitative risk analysis of urban flooding in lowland areas

    NARCIS (Netherlands)

    Ten Veldhuis, J.A.E.

    2010-01-01

    Urban flood risk analyses suffer from a lack of quantitative historical data on flooding incidents. Data collection takes place on an ad hoc basis and is usually restricted to severe events. The resulting data deficiency renders quantitative assessment of urban flood risks uncertain. The study repor

  7. A Novel Quantitative Analysis Model for Information System Survivability Based on Conflict Analysis

    Institute of Scientific and Technical Information of China (English)

    WANG Jian; WANG Huiqiang; ZHAO Guosheng

    2007-01-01

    This paper describes a novel quantitative analysis model for system survivability based on conflict analysis, which provides a direct-viewing survivable situation. Based on the three-dimensional state space of conflict, each player's efficiency matrix on its credible motion set can be obtained. The player whose desire is the strongest in all initiates the moving and the overall state transition matrix of information system may be achieved. In addition, the process of modeling and stability analysis of conflict can be converted into a Markov analysis process, thus the obtained results with occurring probability of each feasible situation will help the players to quantitatively judge the probability of their pursuing situations in conflict. Compared with the existing methods which are limited to post-explanation of system's survivable situation, the proposed model is relatively suitable for quantitatively analyzing and forecasting the future development situation of system survivability. The experimental results show that the model may be effectively applied to quantitative analysis for survivability. Moreover, there will be a good application prospect in practice.

  8. Full-Range Public Health Leadership, Part 1: Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Erik L. Carlton

    2015-04-01

    Full Text Available Background. Workforce and leadership development are central to the future of public health. However, public health has been slow to translate and apply leadership models from other professions and to incorporate local perspectives in understanding public health leadership. Purpose. This study utilized the full-range leadership model in order to examine public health leadership. Specifically, it sought to measure leadership styles among local health department directors and to understand the context of leadership local health departments.Methods. Leadership styles among local health department directors (n=13 were examined using survey methodology. Quantitative analysis methods included descriptive statistics, boxplots, and Pearson bivariate correlations using SPSS v18.0. Findings. Self-reported leadership styles were highly correlated to leadership outcomes at the organizational level. However, they were not related to county health rankings. Results suggest the preeminence of leader behaviors and providing individual consideration to staff as compared to idealized attributes of leaders, intellectual stimulation, or inspirational motivation. Implications. Holistic leadership assessment instruments, such as the Multifactor Leadership Questionnaire (MLQ can be useful in assessing public health leaders approaches and outcomes. Comprehensive, 360-degree reviews may be especially helpful. Further research is needed to examine the effectiveness of public health leadership development models, as well as the extent that public health leadership impacts public health outcomes.

  9. A Quantitative Analysis of Photovoltaic Modules Using Halved Cells

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    S. Guo

    2013-01-01

    Full Text Available In a silicon wafer-based photovoltaic (PV module, significant power is lost due to current transport through the ribbons interconnecting neighbour cells. Using halved cells in PV modules is an effective method to reduce the resistive power loss which has already been applied by some major PV manufacturers (Mitsubishi, BP Solar in their commercial available PV modules. As a consequence, quantitative analysis of PV modules using halved cells is needed. In this paper we investigate theoretically and experimentally the difference between modules made with halved and full-size solar cells. Theoretically, we find an improvement in fill factor of 1.8% absolute and output power of 90 mW for the halved cell minimodule. Experimentally, we find an improvement in fill factor of 1.3% absolute and output power of 60 mW for the halved cell module. Also, we investigate theoretically how this effect confers to the case of large-size modules. It is found that the performance increment of halved cell PV modules is even higher for high-efficiency solar cells. After that, the resistive loss of large-size modules with different interconnection schemes is analysed. Finally, factors influencing the performance and cost of industrial halved cell PV modules are discussed.

  10. European Identity in Russian Regions Bordering on Finland: Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    A. O. Domanov

    2014-01-01

    Full Text Available Th e quantitative analysis of an opinion poll conducted in October 2013 in three Russian cities located near Finnish border (St-Petersburg, Kronstadt and Vyborg explores European identity of their citizens. Th is area was chosen to illustrate the crucial importance of space interpretation in spatial identity formation by using critical geopolitical approach. Th e study shows how diff erent images of space on the same territory act as intermediate variables between objective territorial characteristics and citizens’ identities. As the geographical position at the border of Russia provides the citizens with geopolitical alternatives to identify their location as a fortress defending the nation (as in the case of Kronstadt or a bridge between cultures, the given study allows us to compare reasons for these geopolitical choices of inhabitants. Furthermore, the research aims at bridging the gap in the studies of European and multiple identity in Russian regions and provides Northwest Russian perspective on the perpetual discussion about subjective Eastern border of Europe.

  11. Quantitative analysis of brain magnetic resonance imaging for hepatic encephalopathy

    Science.gov (United States)

    Syh, Hon-Wei; Chu, Wei-Kom; Ong, Chin-Sing

    1992-06-01

    High intensity lesions around ventricles have recently been observed in T1-weighted brain magnetic resonance images for patients suffering hepatic encephalopathy. The exact etiology that causes magnetic resonance imaging (MRI) gray scale changes has not been totally understood. The objective of our study was to investigate, through quantitative means, (1) the amount of changes to brain white matter due to the disease process, and (2) the extent and distribution of these high intensity lesions, since it is believed that the abnormality may not be entirely limited to the white matter only. Eleven patients with proven haptic encephalopathy and three normal persons without any evidence of liver abnormality constituted our current data base. Trans-axial, sagittal, and coronal brain MRI were obtained on a 1.5 Tesla scanner. All processing was carried out on a microcomputer-based image analysis system in an off-line manner. Histograms were decomposed into regular brain tissues and lesions. Gray scale ranges coded as lesion were then brought back to original images to identify distribution of abnormality. Our results indicated the disease process involved pallidus, mesencephalon, and subthalamic regions.

  12. Quantitative Analysis and Comparisons of EPON Protection Schemes

    Institute of Scientific and Technical Information of China (English)

    CHENHong; JINDepeng; ZENGLieguang; SULi

    2005-01-01

    This paper presents the relationship between the intensity of network damage and the network survivability. Then a method for quantitatively analyzing the survivability of tree network is studied. Based on the analysis, the survivability of Ethernet passive optical network (EPON) with three kinds of protection schemes (i.e., Trunk-fiber protection scheme, Node-fiber protection scheme, and Bus-fiber protection) is discussed. Following this, the comparisons of the survivability among these three kinds of protection schemes of F.PON are put forward. The simulation results show that, when the coverage area is the same, the survivability of EPON with Node-fiber protection scheme is better than that of EPON with Trunk-fiber protection scheme, and when the number and distribution of Optical network unit (ONU) are the same, the survivability of EPON with Bus-fiber protection scheme is better than that of EPON with Nodefiber protection scheme. Under the same constraints, the needed fiber of EPON with Bus-fiber protection scheme is the least when there are more than 12 ONU nodes. These results are useful not only for forecasting and evaluating the survivability of EPON access network, but also for its topology design.

  13. Quantitative Analysis of AGV System in FMS Cell Layout

    Directory of Open Access Journals (Sweden)

    B. Ramana

    1997-01-01

    Full Text Available Material handling is a specialised activity for a modern manufacturing concern. Automated guided vehicles (AGVs are invariably used for material handling in flexible manufacturing Systems (FMSs due to their flexibility. The quantitative analysis of an AGV system is useful for determining the material flow rates, operation times, length of delivery, length of empty move of AGV and the number of AGVs required for a typical FMS cell layout. The efficiency of the material handling system, such as AGV can be improved by reducing the length of empty move. The length of empty move of AGV depends upon despatching and scheduling methods. If these methods of AGVs are not properly planned, the length of empty move of AGV is greater than the length of delivery .This results in increase in material handling time which in turn increases the number of AGVs required in FMS cell. This paper presents a method for optimising the length of empty travel of AGV in a typical FMS cell layout.

  14. APPLICATION OF NEOTAME IN CATCHUP: QUANTITATIVE DESCRIPTIVE AND PHYSICOCHEMICAL ANALYSIS

    Directory of Open Access Journals (Sweden)

    G. C. M. C. BANNWART

    2008-11-01

    Full Text Available

    In this study, fi ve prototypes of catchup were developed by replacing partially or totally the sucrose in the formulation by the sweetener Neotame (NTM. These prototypes were evaluated for their physicochemical characteristics and sensory profi le (Quantitative Descriptive Analysis. The main sensory differences observed among the prototypes were regarding to color, consistency, mouthfeel, sweet taste and tomato taste, for which lower means were obtained as the sugar level was decreased, and also in terms of salty taste, that had higher means with the decrease of sugar. In terms of bitter and sweetener aftertastes, the prototype 100% sweetened with NTM presented the higher mean score, but with no signifi cant difference when compared to other prototypes containing sucrose, for bitter taste, however, it had the highest mean score, statistically different from all the other prototypes. In terms of physicochemical characteristics, the differences were mainly in terms of consistency, solids and color. Despite the differences observed among the prototypes as the sugar level was reduced, it was concluded that NTM is a suitable sweetener for catchup, both for use in reduced calories and no sugar versions.

  15. Quantitative analysis of plasma interleiukin-6 by immunoassay on microchip

    Science.gov (United States)

    Abe, K.; Hashimoto, Y.; Yatsushiro, S.; Yamamura, S.; Tanaka, M.; Ooie, T.; Baba, Y.; Kataoka, M.

    2012-03-01

    Sandwich enzyme-linked immunoassay (ELISA) is one of the most frequently employed assays for clinical diagnosis, since this enables the investigator to identify specific protein biomarkers. However, the conventional assay using a 96-well microtitration plate is time- and sample-consuming, and therefore is not suitable for rapid diagnosis. To overcome these drawbacks, we performed a sandwich ELISA on a microchip. We employed the piezoelectric inkjet printing for deposition and fixation of 1st antibody on the microchannnel surface (300 μm width and 100 μm depth). Model analyte was interleukin-6 (IL-6) which was one of the inflammatory cytokine. After blocking the microchannel, antigen, biotin-labeled 2nd antibody, and avidin-labeled peroxidase were infused into the microchannel and incubated for 20 min, 10 min, and 5 min, respectively. This assay could detect 2 pg/ml and quantitatively measure the range of 0-32 pg/ml. Liner regression analysis of plasma IL-6 concentration obtained by microchip and conventional methods exhibited a significant relationship (R2 = 0.9964). This assay reduced the time for the antigen-antibody reaction to 1/6, and the consumption of samples and reagents to 1/50 compared with the conventional method. This assay enables us to determine plasma IL-6 with accuracy, high sensitivity, time saving ability, and low consumption of sample and reagents, and thus will be applicable to clinic diagnosis.

  16. Early child grammars: qualitative and quantitative analysis of morphosyntactic production.

    Science.gov (United States)

    Legendre, Géraldine

    2006-09-10

    This article reports on a series of 5 analyses of spontaneous production of verbal inflection (tense and person-number agreement) by 2-year-olds acquiring French as a native language. A formal analysis of the qualitative and quantitative results is developed using the unique resources of Optimality Theory (OT; Prince & Smolensky, 2004). It is argued that acquisition of morphosyntax proceeds via overlapping grammars (rather than through abrupt changes), which OT formalizes in terms of partial rather than total constraint rankings. Initially, economy of structure constraints take priority over faithfulness constraints that demand faithful expression of a speaker's intent, resulting in child production of tense that is comparable in level to that of child-directed speech. Using the independent Predominant Length of Utterance measure of syntactic development proposed in Vainikka, Legendre, and Todorova (1999), production of agreement is shown first to lag behind tense then to compete with tense at an intermediate stage of development. As the child's development progresses, faithfulness constraints become more dominant, and the overall production of tense and agreement becomes adult-like.

  17. Quantitative analysis of piperine in ayurvedic formulation by UV Spectrophotometry

    Directory of Open Access Journals (Sweden)

    Gupta Vishvnath

    2011-02-01

    Full Text Available A simple and reproducible UV- spectrophotometric method for the quantitative determination of piperine in Sitopaladi churna (STPLC were developed and validated in the present work. The parameters linearity, precision , accuracy, and standard error were studies according to indian herbal pharmacopiea. In this present study a new, simple, rapid, sensitive, precise and economic spectrophotometric method in ultraviolet region has been developed for the determination of piperine in market and laboratory herbal formulation of Sitopaladi churna. which were procured and purchased respectively from the local market and they were evaluated as per Indian herbal Pharmacopoeia and WHO guidelines. The concentration of piperine present in raw material of PSC was found to be 1.45±0.014 w/w in piper longum fruits. Piperine has the maximum wavelength at 342.5 nm and hence the UV spectrophotometric method was performed at 342.5 nm. The samples were prepared in methanol and methos obeys Beers law in concentration ranges employed for evaluation. The content of piperine in ayurvedic formulation was determined. The result of analysis have been validated statistically and recovery studies confirmed the accuracy of the proposed method. Hence the proposed method can be used for the reliable quantification of Piperine in crude drug and its herbal formulation.

  18. Communication about vaccinations in Italian websites: a quantitative analysis.

    Science.gov (United States)

    Tafuri, Silvio; Gallone, Maria S; Gallone, Maria F; Zorico, Ivan; Aiello, Valeria; Germinario, Cinzia

    2014-01-01

    Babies' parents and people who look for information about vaccination often visit anti-vaccine movement's websites, blogs by naturopathic physicians or natural and alternative medicine practitioners. The aim of this work is to provide a quantitative analysis on the type of information available to Italian people regarding vaccination and a quality analysis of websites retrieved through our searches. A quality score was created to evaluate the technical level of websites. A research was performed through Yahoo, Google, and MSN using the keywords "vaccine" and "vaccination," with the function "OR" in order to identify the most frequently used websites. The 2 keywords were input in Italian, and the first 15 pages retrieved by each search engine were analyzed. 149 websites were selected through this methodology. Fifty-three per cent of the websites belonged to associations, groups, or scientific companies, 32.2% (n = 48) consisted of a personal blog and 14.8% (n = 22) belonged to some of the National Health System offices. Among all analyzed websites, 15.4% (n = 23) came from anti-vaccine movement groups. 37.6% reported webmaster name, 67.8% webmaster e-mail, 28.6% indicated the date of the last update and 46.6% the author's name. The quality score for government sites was higher on average than anti-vaccine websites; although, government sites don't use Web 2.0 functions, as the forums.: National Health System institutions who have to promote vaccination cannot avoid investing in web communication because it cannot be managed by private efforts but must be the result of Public Health, private and scientific association, and social movement synergy.

  19. A quantitative quantum chemical model of the Dewar-Knott color rule for cationic diarylmethanes

    Science.gov (United States)

    Olsen, Seth

    2012-04-01

    We document the quantitative manifestation of the Dewar-Knott color rule in a four-electron, three-orbital state-averaged complete active space self-consistent field (SA-CASSCF) model of a series of bridge-substituted cationic diarylmethanes. We show that the lowest excitation energies calculated using multireference perturbation theory based on the model are linearly correlated with the development of hole density in an orbital localized on the bridge, and the depletion of pair density in the same orbital. We quantitatively express the correlation in the form of a generalized Hammett equation.

  20. Acousto-Optic Tunable Filter Spectroscopic Instrumentation for Quantitative Near-Ir Analysis of Organic Materials.

    Science.gov (United States)

    Eilert, Arnold James

    1995-01-01

    The utility of near-IR spectroscopy for routine quantitative analyses of a wide variety of compositional, chemical, or physical parameters of organic materials is well understood. It can be used for relatively fast and inexpensive non-destructive bulk material analysis before, during, and after processing. It has been demonstrated as being a particularly useful technique for numerous analytical applications in cereal (food and feed) science and industry. Further fulfillment of the potential of near-IR spectroscopic analysis, both in the process and laboratory environment, is reliant upon the development of instrumentation that is capable of meeting the challenges of increasingly difficult applications. One approach to the development of near-IR spectroscopic instrumentation that holds a great deal of promise is acousto-optic tunable filter (AOTF) technology. A combination of attributes offered by AOTF spectrometry, including speed, optical throughput, wavelength reproducibility, ruggedness (no -moving-parts operation) and flexibility, make it particularly desirable for numerous applications. A series of prototype (research model) acousto -optic tunable filter instruments were developed and tested in order to investigate the feasibility of the technology for quantitative near-IR spectrometry. Development included design, component procurement, assembly and/or configuration of the optical and electronic subsystems of which each functional spectrometer arrangement was comprised, as well as computer interfacing and acquisition/control software development. Investigation of this technology involved an evolution of several operational spectrometer systems, each of which offered improvements over its predecessor. Appropriate testing was conducted at various stages of development. Demonstrations of the potential applicability of our AOTF spectrometer to quantitative process monitoring or laboratory analysis of numerous organic substances, including food materials, were

  1. Full quantitative phase analysis of hydrated lime using the Rietveld method

    Energy Technology Data Exchange (ETDEWEB)

    Lassinantti Gualtieri, Magdalena, E-mail: magdalena.gualtieri@unimore.it [Dipartimento Ingegneria dei Materiali e dell' Ambiente, Universita Degli Studi di Modena e Reggio Emilia, Via Vignolese 905/a, I-41100 Modena (Italy); Romagnoli, Marcello; Miselli, Paola; Cannio, Maria [Dipartimento Ingegneria dei Materiali e dell' Ambiente, Universita Degli Studi di Modena e Reggio Emilia, Via Vignolese 905/a, I-41100 Modena (Italy); Gualtieri, Alessandro F. [Dipartimento di Scienze della Terra, Universita Degli Studi di Modena e Reggio Emilia, I-41100 Modena (Italy)

    2012-09-15

    Full quantitative phase analysis (FQPA) using X-ray powder diffraction and Rietveld refinements is a well-established method for the characterization of various hydraulic binders such as Portland cement and hydraulic limes. In this paper, the Rietveld method is applied to hydrated lime, a non-hydraulic traditional binder. The potential presence of an amorphous phase in this material is generally ignored. Both synchrotron radiation and a conventional X-ray source were used for data collection. The applicability of the developed control file for the Rietveld refinements was investigated using samples spiked with glass. The results were cross-checked by other independent methods such as thermal and chemical analyses. The sample microstructure was observed by transmission electron microscopy. It was found that the consistency between the different methods was satisfactory, supporting the validity of FQPA for this material. For the samples studied in this work, the amount of amorphous material was in the range 2-15 wt.%.

  2. Modern quantitative microstructure analysis on the example of aicu5mg1 alloys

    Directory of Open Access Journals (Sweden)

    Zlatičanin Biljana V.

    2002-01-01

    Full Text Available Using an automatic, QUANTIMET 500 MC, device for quantitative picture analysis and applying linear method of measurement on the example of AlCu5Mg1 alloys, the grain size (min, max and medium values, as well as relative standard measuring errors (RSE, dendrite arm spacing (DAS and length eutectic (Le and also distribution by size (histogram and volume participation of -hard solution and eutectic have been determined. We have also studied the influence of grain-refining additives AlTi5B1 for the same chemical composition of the aluminium-capper-magnesium alloy. It has been concluded that with the increase of titanium content, the mean value of grain size decreases. We have also examined hardness and pressure strength.

  3. In vitro quantitative analysis of Salmonella typhimurium preference for amino acids secreted by human breast tumor

    Science.gov (United States)

    Choi, Eunpyo; Maeng, Bohee; Lee, Jae-hun; Chang, Hyung-kwan; Park, Jungyul

    2016-12-01

    Bacterial therapies have been paid significant attentions by their ability to penetrate deep into the solid tumor tissue and its propensity to naturally accumulate in tumors of living animals. Understanding the actual mechanism for bacteria to target the tumor is therapeutically crucial but is poorly understood. We hypothesized that amino acids released from the specific tumors induced bacteria to those tumors and the experiments for chemotactic response of bacteria toward the cancer secreting amino acids was then performed by using the diffusion based multiple chemical gradient generator constructed by in situ self-assembly of microspheres. The quantitative analysis was carried out by comparison of intensity using green fluorescent protein (GFP) tagged Salmonella typhimurium ( S. typhimurium) in the gradient generator, which showed the clear preference to the released amino acids, especially from breast cancer patients. The understanding chemotaxis toward the cancer secreting amino acids is essential for controlling S. typhimurium targeting in tumors and will allow for the development of bacterial therapies.

  4. Quantitative chemical tagging, stellar ages and the chemo-dynamical evolution of the Galactic disc

    CERN Document Server

    Mitschang, A W; Zucker, D B; Anguiano, B; Bensby, T; Feltzing, S

    2013-01-01

    The early science results from the new generation of high-resolution stellar spectroscopic surveys, such as GALAH and the Gaia-ESO survey, will represent major milestones in the quest to chemically tag the Galaxy. Yet this technique to reconstruct dispersed coeval stellar groups has remained largely untested until recently. We build on previous work that developed an empirical chemical tagging probability function, which describes the likelihood that two field stars are conatal, that is, they were formed in the same cluster environment. In this work we perform the first ever blind chemical tagging experiment, i.e., tagging stars with no known or otherwise discernable associations, on a sample of 714 disc field stars with a number of high quality high resolution homogeneous metal abundance measurements. We present evidence that chemical tagging of field stars does identify coeval groups of stars, yet these groups may not represent distinct formation sites, e.g. as in dissolved open clusters, as previously thou...

  5. Analysis, synthesis and design of chemical processes

    Energy Technology Data Exchange (ETDEWEB)

    Turton, R. [West Virginia Univ., Morgantown, WV (United States); Bailie, R.C.; Whiting, W.B.

    1998-12-31

    The book illustrates key concepts through a running example from the real world: the manufacture of benzene; covers design, economic considerations, troubleshooting and health/environmental safety; and includes exclusive software for estimating chemical manufacturing equipment capital costs. This book will help chemical engineers optimize the efficiency of production processes, by providing both a philosophical framework and detailed information about chemical process design. Design is the focal point of the chemical engineering practice. This book helps engineers and senior-level students hone their design skills through process design rather than simply plant design. It introduces all the basics of process simulation. Learn how to size equipment, optimize flowsheets, evaluate the economics of projects, and plan the operation of processes. Learn how to use Process Flow Diagrams; choose the operating conditions for a process; and evaluate the performance of existing processes and equipment. Finally, understand how chemical process design impacts health, safety, the environment and the community.

  6. A quantitative analysis of Salmonella Typhimurium metabolism during infection

    OpenAIRE

    Steeb, Benjamin

    2012-01-01

    In this thesis, Salmonella metabolism during infection was investigated. The goal was to gain a quantitative and comprehensive understanding of Salmonella in vivo nutrient supply, utilization and growth. To achieve this goal, we used a combined experimental / in silico approach. First, we generated a reconstruction of Salmonella metabolism ([1], see 2.1). This reconstruction was then combined with in vivo data from experimental mutant phenotypes to build a comprehensive quantitative in viv...

  7. Descriptive quantitative analysis of hallux abductovalgus transverse plane radiographic parameters.

    Science.gov (United States)

    Meyr, Andrew J; Myers, Adam; Pontious, Jane

    2014-01-01

    Although the transverse plane radiographic parameters of the first intermetatarsal angle (IMA), hallux abductus angle (HAA), and the metatarsal-sesamoid position (MSP) form the basis of preoperative procedure selection and postoperative surgical evaluation of the hallux abductovalgus deformity, the so-called normal values of these measurements have not been well established. The objectives of the present study were to (1) evaluate the descriptive statistics of the first IMA, HAA, and MSP from a large patient population and (2) to determine an objective basis for defining "normal" versus "abnormal" measurements. Anteroposterior foot radiographs from 373 consecutive patients without a history of previous foot and ankle surgery and/or trauma were evaluated for the measurements of the first IMA, HAA, and MSP. The results revealed a mean measurement of 9.93°, 17.59°, and position 3.63 for the first IMA, HAA, and MSP, respectively. An advanced descriptive analysis demonstrated data characteristics of both parametric and nonparametric distributions. Furthermore, clear differentiations in deformity progression were appreciated when the variables were graphically depicted against each other. This could represent a quantitative basis for defining "normal" versus "abnormal" values. From the results of the present study, we have concluded that these radiographic parameters can be more conservatively reported and analyzed using nonparametric descriptive and comparative statistics within medical studies and that the combination of a first IMA, HAA, and MSP at or greater than approximately 10°, 18°, and position 4, respectively, appears to be an objective "tipping point" in terms of deformity progression and might represent an upper limit of acceptable in terms of surgical deformity correction.

  8. Hydrocarbons on Phoebe, Iapetus, and Hyperion: Quantitative Analysis

    Science.gov (United States)

    Cruikshank, Dale P.; MoreauDalleOre, Cristina; Pendleton, Yvonne J.; Clark, Roger Nelson

    2012-01-01

    We present a quantitative analysis of the hydrocarbon spectral bands measured on three of Saturn's satellites, Phoebe, Iaperus, and Hyperion. These bands, measured with the Cassini Visible-Infrared Mapping Spectrometer on close fly-by's of these satellites, are the C-H stretching modes of aromatic hydrocarbons at approximately 3.28 micrometers (approximately 3050 per centimeter), and the are four blended bands of aliphatic -CH2- and -CH3 in the range approximately 3.36-3.52 micrometers (approximately 2980- 2840 per centimeter) bably indicating the presence of polycyclic aromatic hydrocarbons (PAH), is unusually strong in comparison to the aliphatic bands, resulting in a unique signarure among Solar System bodies measured so far, and as such offers a means of comparison among the three satellites. The ratio of the C-H bands in aromatic molecules to those in aliphatic molecules in the surface materials of Phoebe, NAro:NAliph approximately 24; for Hyperion the value is approximately 12, while laperus shows an intermediate value. In view of the trend of the evolution (dehydrogenation by heat and radiation) of aliphatic complexes toward more compact molecules and eventually to aromatics, the relative abundances of aliphatic -CH2- and -CH3- is an indication of the lengths of the molecular chain structures, hence the degree of modification of the original material. We derive CH2:CH3 approximately 2.2 in the spectrum of low-albedo material on laperus; this value is the same within measurement errors to the ratio in the diffuse interstellar medium. The similarity in the spectral signatures of the three satellites, plus the apparent weak trend of aromatic/aliphatic abundance from Phoebe to Hyperion, is consistent with, and effectively confirms that the source of the hydrocarbon-bearing material is Phoebe, and that the appearance of that material on the other two satellites arises from the deposition of the inward-spiraling dust that populates the Phoebe ring.

  9. Quantitative Analysis of the Effective Functional Structure in Yeast Glycolysis

    Science.gov (United States)

    De la Fuente, Ildefonso M.; Cortes, Jesus M.

    2012-01-01

    The understanding of the effective functionality that governs the enzymatic self-organized processes in cellular conditions is a crucial topic in the post-genomic era. In recent studies, Transfer Entropy has been proposed as a rigorous, robust and self-consistent method for the causal quantification of the functional information flow among nonlinear processes. Here, in order to quantify the functional connectivity for the glycolytic enzymes in dissipative conditions we have analyzed different catalytic patterns using the technique of Transfer Entropy. The data were obtained by means of a yeast glycolytic model formed by three delay differential equations where the enzymatic rate equations of the irreversible stages have been explicitly considered. These enzymatic activity functions were previously modeled and tested experimentally by other different groups. The results show the emergence of a new kind of dynamical functional structure, characterized by changing connectivity flows and a metabolic invariant that constrains the activity of the irreversible enzymes. In addition to the classical topological structure characterized by the specific location of enzymes, substrates, products and feedback-regulatory metabolites, an effective functional structure emerges in the modeled glycolytic system, which is dynamical and characterized by notable variations of the functional interactions. The dynamical structure also exhibits a metabolic invariant which constrains the functional attributes of the enzymes. Finally, in accordance with the classical biochemical studies, our numerical analysis reveals in a quantitative manner that the enzyme phosphofructokinase is the key-core of the metabolic system, behaving for all conditions as the main source of the effective causal flows in yeast glycolysis. PMID:22393350

  10. Quantitative analysis of flavanones and chalcones from willow bark.

    Science.gov (United States)

    Freischmidt, A; Untergehrer, M; Ziegler, J; Knuth, S; Okpanyi, S; Müller, J; Kelber, O; Weiser, D; Jürgenliemk, G

    2015-09-01

    Willow bark extracts are used for the treatment of fever, pain and inflammation. Recent clinical and pharmacological research revealed that not only the salicylic alcohol derivatives, but also the polyphenols significantly contribute to these effects. Quantitative analysis of the European Pharmacopoeia still focuses on the determination of the salicylic alcohol derivatives. The objective of the present study was the development of an effective quantification method for the determination of as many flavanone and chalcone glycosides as possible in Salix purpurea and other Salix species as well as commercial preparations thereof. As Salix species contain a diverse spectrum of the glycosidated flavanones naringenin, eriodictyol, and the chalcone chalconaringenin, a subsequent acidic and enzymatic hydrolysis was developed to yield naringenin and eriodictyol as aglycones, which were quantified by HPLC. The 5-O-glucosides were cleaved with 11.5% TFA before subsequent hydrolysis of the 7-O-glucosides with an almond β-glucosidase at pH 6-7. The method was validated with regard to LOD, LOQ, intraday and interday precision, accuracy, stability, recovery, time of hydrolysis, robustness and applicability to extracts. All 5-O- and 7-O-glucosides of naringenin, eriodictyol and chalconaringenin were completely hydrolysed and converted to naringenin and eriodictyol. The LOD of the HPLC method was 0.77 μM of naringenin and 0.45 μM of eriodictyol. The LOQ was 2.34 μM of naringenin and 1.35 μM for eriodictyol. The method is robust with regard to sample weight, but susceptible concerning enzyme deterioration. The developed method is applicable to the determination of flavanone and chalcone glycosides in willow bark and corresponding preparations.

  11. Quantitative Financial Analysis of Alternative Energy Efficiency Shareholder Incentive Mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Cappers, Peter; Goldman, Charles; Chait, Michele; Edgar, George; Schlegel, Jeff; Shirley, Wayne

    2008-08-03

    Rising energy prices and climate change are central issues in the debate about our nation's energy policy. Many are demanding increased energy efficiency as a way to help reduce greenhouse gas emissions and lower the total cost of electricity and energy services for consumers and businesses. Yet, as the National Action Plan on Energy Efficiency (NAPEE) pointed out, many utilities continue to shy away from seriously expanding their energy efficiency program offerings because they claim there is insufficient profit-motivation, or even a financial disincentive, when compared to supply-side investments. With the recent introduction of Duke Energy's Save-a-Watt incentive mechanism and ongoing discussions about decoupling, regulators and policymakers are now faced with an expanded and diverse landscape of financial incentive mechanisms, Determining the 'right' way forward to promote deep and sustainable demand side resource programs is challenging. Due to the renaissance that energy efficiency is currently experiencing, many want to better understand the tradeoffs in stakeholder benefits between these alternative incentive structures before aggressively embarking on a path for which course corrections can be time-consuming and costly. Using a prototypical Southwest utility and a publicly available financial model, we show how various stakeholders (e.g. shareholders, ratepayers, etc.) are affected by these different types of shareholder incentive mechanisms under varying assumptions about program portfolios. This quantitative analysis compares the financial consequences associated with a wide range of alternative incentive structures. The results will help regulators and policymakers better understand the financial implications of DSR program incentive regulation.

  12. Direct Quantitative Analysis of Arsenic in Coal Fly Ash

    Directory of Open Access Journals (Sweden)

    Sri Hartuti

    2012-01-01

    Full Text Available A rapid, simple method based on graphite furnace atomic absorption spectrometry is described for the direct determination of arsenic in coal fly ash. Solid samples were directly introduced into the atomizer without preliminary treatment. The direct analysis method was not always free of spectral matrix interference, but the stabilization of arsenic by adding palladium nitrate (chemical modifier and the optimization of the parameters in the furnace program (temperature, rate of temperature increase, hold time, and argon gas flow gave good results for the total arsenic determination. The optimal furnace program was determined by analyzing different concentrations of a reference material (NIST1633b, which showed the best linearity for calibration. The optimized parameters for the furnace programs for the ashing and atomization steps were as follows: temperatures of 500–1200 and 2150°C, heating rates of 100 and 500°C s−1, hold times of 90 and 7 s, and medium then maximum and medium argon gas flows, respectively. The calibration plots were linear with a correlation coefficient of 0.9699. This method was validated using arsenic-containing raw coal samples in accordance with the requirements of the mass balance calculation; the distribution rate of As in the fly ashes ranged from 101 to 119%.

  13. Quantitative analysis of chemical shift imaging in the differentiation of renal angiomyolipoma with minimal fat from clear cell renal cell carcinoma%化学位移成像定量分析鉴别乏脂肪肾血管平滑肌脂肪瘤与肾透明细胞癌

    Institute of Scientific and Technical Information of China (English)

    孙 军; 邢 伟; 陈 杰; 陈铜兵; 曹赟杰; 邢士军; 沈 楠

    2013-01-01

    Objective To evaluate the value of quantitative analysis of chemical shift imaging(CSI) in differential diagnosis of renal angiomyolipoma (RAML) with minimal fat from renal clear cell carcinoma (RCCC) at 3. 0 T MR. Methods The CSI images of 17 cases with pathologically proved RAML with minimal fat (Group 1) and 32 cases with pathologically confirmed RCCC (Group 2) were analyzed retrospectively. Signal intensity of tumor, spleen, and erector spinac were measured on in-phase and out-phase images, respectively. Three parameters, including signal intensity index(SII), tumor to spleen ratio(TSR) and tumor to muscle ratio (TMR) were calculated. These parameters were compared between two groups by Student's it-test respectively. The ROC curves were performed to evaluate the sensitivity and specificity of these parameters in differentiation between two groups respectively. Results There were significant differences in SII, TSR and TMR between two groups respectively (t= 12. 577, -5. 297, -05. 402, P = 0. 000). The area under curve(AUC) of ROC for SII was 0. 987, and the sensitivity and specificity were 94. 1 % and 93. 7% respectively when the optimal threshold was 18. 23%. The AUC for TSR was 0. 885, and the sensitivity and specificity were 88. 2% and 81. 2% respectively when the optimal threshold was - 12. 58%. The AUC for TMR was 0. 879, and the sensitivity and specificity were 82.4% and 78. 1% respectively when the optimal threshold was- 11. 62%. Conclusion The quantitative analysis of CSI plays an important role in differential diagnosis of RAML with minimal fat from RCCC.%目的 评价3.0T磁共振化学位移成像(CSI)定量分析在乏脂肪肾血管平滑肌脂肪瘤(RAML)与肾透明细胞癌(RCCC)鉴别诊断中的价值.方法 回顾性分析经病理证实的17例乏脂肪RAML与32例RCCC的CSI图像,测量同、反相位图像上肿瘤及参照组织脾脏、竖脊肌的信号强度,计算肿瘤信号强度指数(SII)、肿瘤脾脏信号比(TSR

  14. Universal platform for quantitative analysis of DNA transposition

    Directory of Open Access Journals (Sweden)

    Pajunen Maria I

    2010-11-01

    Full Text Available Abstract Background Completed genome projects have revealed an astonishing diversity of transposable genetic elements, implying the existence of novel element families yet to be discovered from diverse life forms. Concurrently, several better understood transposon systems have been exploited as efficient tools in molecular biology and genomics applications. Characterization of new mobile elements and improvement of the existing transposition technology platforms warrant easy-to-use assays for the quantitative analysis of DNA transposition. Results Here we developed a universal in vivo platform for the analysis of transposition frequency with class II mobile elements, i.e., DNA transposons. For each particular transposon system, cloning of the transposon ends and the cognate transposase gene, in three consecutive steps, generates a multifunctional plasmid, which drives inducible expression of the transposase gene and includes a mobilisable lacZ-containing reporter transposon. The assay scores transposition events as blue microcolonies, papillae, growing within otherwise whitish Escherichia coli colonies on indicator plates. We developed the assay using phage Mu transposition as a test model and validated the platform using various MuA transposase mutants. For further validation and to illustrate universality, we introduced IS903 transposition system components into the assay. The developed assay is adjustable to a desired level of initial transposition via the control of a plasmid-borne E. coli arabinose promoter. In practice, the transposition frequency is modulated by varying the concentration of arabinose or glucose in the growth medium. We show that variable levels of transpositional activity can be analysed, thus enabling straightforward screens for hyper- or hypoactive transposase mutants, regardless of the original wild-type activity level. Conclusions The established universal papillation assay platform should be widely applicable to a

  15. Quantitative PCR analysis of salivary pathogen burden in periodontitis.

    Science.gov (United States)

    Salminen, Aino; Kopra, K A Elisa; Hyvärinen, Kati; Paju, Susanna; Mäntylä, Päivi; Buhlin, Kåre; Nieminen, Markku S; Sinisalo, Juha; Pussinen, Pirkko J

    2015-01-01

    Our aim was to investigate the value of salivary concentrations of four major periodontal pathogens and their combination in diagnostics of periodontitis. The Parogene study included 462 dentate subjects (mean age 62.9 ± 9.2 years) with coronary artery disease (CAD) diagnosis who underwent an extensive clinical and radiographic oral examination. Salivary levels of four major periodontal bacteria were measured by quantitative real-time PCR (qPCR). Median salivary concentrations of Porphyromonas gingivalis, Tannerella forsythia, and Prevotella intermedia, as well as the sum of the concentrations of the four bacteria, were higher in subjects with moderate to severe periodontitis compared to subjects with no to mild periodontitis. Median salivary Aggregatibacter actinomycetemcomitans concentrations did not differ significantly between the subjects with no to mild periodontitis and subjects with moderate to severe periodontitis. In logistic regression analysis adjusted for age, gender, diabetes, and the number of teeth and implants, high salivary concentrations of P. gingivalis, T. forsythia, and P. intermedia were significantly associated with moderate to severe periodontitis. When looking at different clinical and radiographic parameters of periodontitis, high concentrations of P. gingivalis and T. forsythia were significantly associated with the number of 4-5 mm periodontal pockets, ≥6 mm pockets, and alveolar bone loss (ABL). High level of T. forsythia was associated also with bleeding on probing (BOP). The combination of the four bacteria, i.e., the bacterial burden index, was associated with moderate to severe periodontitis with an odds ratio (OR) of 2.40 (95% CI 1.39-4.13). When A. actinomycetemcomitans was excluded from the combination of the bacteria, the OR was improved to 2.61 (95% CI 1.51-4.52). The highest OR 3.59 (95% CI 1.94-6.63) was achieved when P. intermedia was further excluded from the combination and only the levels of P. gingivalis and T

  16. Quantitative PCR analysis of salivary pathogen burden in periodontitis

    Directory of Open Access Journals (Sweden)

    Aino eSalminen

    2015-10-01

    Full Text Available Our aim was to investigate the value of salivary concentrations of four major periodontal pathogens and their combination in diagnostics of periodontitis. The Parogene study included 462 dentate subjects (mean age 62.9±9.2 years with coronary artery disease diagnosis who underwent an extensive clinical and radiographic oral examination. Salivary levels of four major periodontal bacteria were measured by quantitative real-time PCR. Median salivary concentrations of P. gingivalis, T. forsythia, and P. intermedia, as well as the sum of the concentrations of the four bacteria, were higher in subjects with moderate to severe periodontitis compared to subjects with no to mild periodontitis. Median salivary A. actinomycetemcomitans concentrations did not differ significantly between the subjects with no to mild periodontitis and subjects with moderate to severe periodontitis. In logistic regression analysis adjusted for age, gender, diabetes, and the number of teeth and implants, high salivary concentrations of P. gingivalis, T. forsythia, and P. intermedia were significantly associated with moderate to severe periodontitis. When looking at different clinical and radiographic parameters of periodontitis, high concentrations of P. gingivalis and T. forsythia were significantly associated with the number of 4-5 mm periodontal pockets, ≥ 6 mm pockets, and alveolar bone loss (ABL. High level of T. forsythia was associated also with bleeding on probing (BOP. The combination of the four bacteria, i.e. the bacterial burden index, was associated with moderate to severe periodontitis with an odds ratio (OR of 2.40 (95% CI 1.39–4.13. When A. actinomycetemcomitans was excluded from the combination of the bacteria, the OR was improved to 2.61 (95% CI 1.51–4.52. The highest odds ratio 3.59 (95% CI 1.94–6.63 was achieved when P. intermedia was further excluded from the combination and only the levels of P. gingivalis and T. forsythia were used. Salivary

  17. Chemical Engineering Data Analysis Made Easy with DataFit

    Science.gov (United States)

    Brenner, James R.

    2006-01-01

    The outline for half of a one-credit-hour course in analysis of chemical engineering data is presented, along with a range of typical problems encountered later on in the chemical engineering curriculum that can be used to reinforce the data analysis skills learned in the course. This mini course allows students to be exposed to a variety of ChE…

  18. A Quantitative Analysis of the Behavioral Checklist of the Movement ABC Motor Test

    Science.gov (United States)

    Ruiz, Luis Miguel; Gomez, Marta; Graupera, Jose Luis; Gutierrez, Melchor; Linaza, Jose Luis

    2007-01-01

    The fifth section of the Henderson and Sugden's Movement ABC Checklist is part of the general Checklist that accompanies The Movement ABC Battery. The authors maintain that the analysis of this section must be mainly qualitative instead of quantitative. The main objective of this study was to employ a quantitative analysis of this behavioural…

  19. Quantitative Analysis of Berberine in Processed Coptis by Near-Infrared Diffuse Reflectance Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yong; XIE Yun-fei; SONG Feng-rui; LIU Zhi-qiang; CONG Qian; ZHAO Bing

    2008-01-01

    The near-infrared(NIR) diffuse reflectance spectroscopy was used to study the content of Berberine in the processed Coptis.The allocated proportions of Coptis to ginger,yellow liquor or Evodia rutaecarpa changed according to the results of orthogonal design as well as the temperature.For as withdrawing the full and effective information from the spectral data as possible,the spectral data was preprocessed through first derivative and muitiplicative scatter correction(MSC) according to the optimization results of different preprocessing methods.Firstly,the model was established by partial least squares(PLS); the coefficient of determination(R2) of the prediction was 0.839,the root mean squared error of prediction(RMSEP) was 0.1422,and the mean relative error(RME) was 0.0276.Secondly,for reducing the dimension and removing noise,the spectral variables were highly effectively compressed via the wavelet transformation(WT) technology and the Haar wavelet was selected to decompose the spectral signals.After the wavelet coefficients from WT were input into the artificial neural network(ANN) instead of the spectra signal,the quantitative analysis model of Berberine in processed Coptis was established.The R2 of the model was 0.9153,the RMSEP was 0.0444,and the RME was 0.0091.The values of appraisal index,namely R2,RMSECV,and RME,indicate that the generalization ability and prediction precision of ANN are superior to those of PLS.The overall results show that NIR spectroscopy combined with ANN can be efficiently utilized for the rapid and accurate analysis of routine chemical compositions in Coptis.Accordingly,the result can provide technical support for the further analysis of Berberine and other components in processed Coptis.Simultaneously,the research can also offer the foundation of quantitative analysis of other NIR application.

  20. Quantitative Analysis by Isotopic Dilution Using Mass Spectroscopy: The Determination of Caffeine by GC-MS.

    Science.gov (United States)

    Hill, Devon W.; And Others

    1988-01-01

    Describes a laboratory technique for quantitative analysis of caffeine by an isotopic dilution method for coupled gas chromatography-mass spectroscopy. Discusses caffeine analysis and experimental methodology. Lists sample caffeine concentrations found in common products. (MVL)

  1. Microchromatography of hemoglobins. VIII. A general qualitative and quantitative method in plastic drinking straws and the quantitative analysis of Hb-F.

    Science.gov (United States)

    Schroeder, W A; Pace, L A

    1978-03-01

    The microchromatographic procedure for the quantitative analysis of the hemoglobin components in a hemolysate uses columns of DEAE-cellulose in a plastic drinking straw with a glycine-KCN-NaCl developer. Not only may the method be used for the quantitative analysis of Hb-F but also for the analysis of the varied components in mixtures of hemoglobins.

  2. Quantitative global studies of reactomes and metabolomes using a vectorial representation of reactions and chemical compounds

    Directory of Open Access Journals (Sweden)

    Triviño Juan C

    2010-04-01

    Full Text Available Abstract Background Global studies of the protein repertories of organisms are providing important information on the characteristics of the protein space. Many of these studies entail classification of the protein repertory on the basis of structure and/or sequence similarities. The situation is different for metabolism. Because there is no good way of measuring similarities between chemical reactions, there is a barrier to the development of global classifications of "metabolic space" and subsequent studies comparable to those done for protein sequences and structures. Results In this work, we propose a vectorial representation of chemical reactions, which allows them to be compared and classified. In this representation, chemical compounds, reactions and pathways may be represented in the same vectorial space. We show that the representation of chemical compounds reflects their physicochemical properties and can be used for predictive purposes. We use the vectorial representations of reactions to perform a global classification of the reactome of the model organism E. coli. Conclusions We show that this unsupervised clustering results in groups of enzymes more coherent in biological terms than equivalent groupings obtained from the EC hierarchy. This hierarchical clustering produces an optimal set of 21 groups which we analyzed for their biological meaning.

  3. Geographical classification of Epimedium based on HPLC fingerprint analysis combined with multi-ingredients quantitative analysis.

    Science.gov (United States)

    Xu, Ning; Zhou, Guofu; Li, Xiaojuan; Lu, Heng; Meng, Fanyun; Zhai, Huaqiang

    2017-05-01

    A reliable and comprehensive method for identifying the origin and assessing the quality of Epimedium has been developed. The method is based on analysis of HPLC fingerprints, combined with similarity analysis, hierarchical cluster analysis (HCA), principal component analysis (PCA) and multi-ingredient quantitative analysis. Nineteen batches of Epimedium, collected from different areas in the western regions of China, were used to establish the fingerprints and 18 peaks were selected for the analysis. Similarity analysis, HCA and PCA all classified the 19 areas into three groups. Simultaneous quantification of the five major bioactive ingredients in the Epimedium samples was also carried out to confirm the consistency of the quality tests. These methods were successfully used to identify the geographical origin of the Epimedium samples and to evaluate their quality.

  4. Quantitative analysis of autophagy using advanced 3D fluorescence microscopy.

    Science.gov (United States)

    Changou, Chun A; Wolfson, Deanna L; Ahluwalia, Balpreet Singh; Bold, Richard J; Kung, Hsing-Jien; Chuang, Frank Y S

    2013-05-03

    Prostate cancer is the leading form of malignancies among men in the U.S. While surgery carries a significant risk of impotence and incontinence, traditional chemotherapeutic approaches have been largely unsuccessful. Hormone therapy is effective at early stage, but often fails with the eventual development of hormone-refractory tumors. We have been interested in developing therapeutics targeting specific metabolic deficiency of tumor cells. We recently showed that prostate tumor cells specifically lack an enzyme (argininosuccinate synthase, or ASS) involved in the synthesis of the amino acid arginine(1). This condition causes the tumor cells to become dependent on exogenous arginine, and they undergo metabolic stress when free arginine is depleted by arginine deiminase (ADI)(1,10). Indeed, we have shown that human prostate cancer cells CWR22Rv1 are effectively killed by ADI with caspase-independent apoptosis and aggressive autophagy (or macroautophagy)(1,2,3). Autophagy is an evolutionarily-conserved process that allows cells to metabolize unwanted proteins by lysosomal breakdown during nutritional starvation(4,5). Although the essential components of this pathway are well-characterized(6,7,8,9), many aspects of the molecular mechanism are still unclear - in particular, what is the role of autophagy in the death-response of prostate cancer cells after ADI treatment? In order to address this question, we required an experimental method to measure the level and extent of autophagic response in cells - and since there are no known molecular markers that can accurately track this process, we chose to develop an imaging-based approach, using quantitative 3D fluorescence microscopy(11,12). Using CWR22Rv1 cells specifically-labeled with fluorescent probes for autophagosomes and lysosomes, we show that 3D image stacks acquired with either widefield deconvolution microscopy (and later, with super-resolution, structured-illumination microscopy) can clearly capture the early

  5. Calibration-free quantitative analysis of elemental ratios in intermetallic nanoalloys and nanocomposites using Laser Induced Breakdown Spectroscopy (LIBS).

    Science.gov (United States)

    Davari, Seyyed Ali; Hu, Sheng; Mukherjee, Dibyendu

    2017-03-01

    Intermetallic nanoalloys (NAs) and nanocomposites (NCs) have increasingly gained prominence as efficient catalytic materials in electrochemical energy conversion and storage systems. But their morphology and chemical compositions play critical role in tuning their catalytic activities, and precious metal contents. While advanced microscopy techniques facilitate morphological characterizations, traditional chemical characterizations are either qualitative or extremely involved. In this study, we apply Laser Induced Breakdown Spectroscopy (LIBS) for quantitative compositional analysis of NAs and NCs synthesized with varied elemental ratios by our in-house built pulsed laser ablation technique. Specifically, elemental ratios of binary PtNi, PdCo (NAs) and PtCo (NCs) of different compositions are determined from LIBS measurements employing an internal calibration scheme using the bulk matrix species as internal standards. Morphology and qualitative elemental compositions of the aforesaid NAs and NCs are confirmed from Transmission Electron Microscopy (TEM) images and Energy Dispersive X-ray Spectroscopy (EDX) measurements. LIBS experiments are carried out in ambient conditions with the NA and NC samples drop cast on silicon wafers after centrifugation to increase their concentrations. The technique does not call for cumbersome sample preparations including acid digestions and external calibration standards commonly required in Inductively Coupled Plasma-Optical Emission Spectroscopy (ICP-OES) techniques. Yet the quantitative LIBS results are in good agreement with the results from ICP-OES measurements. Our results indicate the feasibility of using LIBS in future for rapid and in-situ quantitative chemical characterizations of wide classes of synthesized NAs and NCs.

  6. Quantitative flux analysis reveals folate-dependent NADPH production

    Science.gov (United States)

    Fan, Jing; Ye, Jiangbin; Kamphorst, Jurre J.; Shlomi, Tomer; Thompson, Craig B.; Rabinowitz, Joshua D.

    2014-06-01

    ATP is the dominant energy source in animals for mechanical and electrical work (for example, muscle contraction or neuronal firing). For chemical work, there is an equally important role for NADPH, which powers redox defence and reductive biosynthesis. The most direct route to produce NADPH from glucose is the oxidative pentose phosphate pathway, with malic enzyme sometimes also important. Although the relative contribution of glycolysis and oxidative phosphorylation to ATP production has been extensively analysed, similar analysis of NADPH metabolism has been lacking. Here we demonstrate the ability to directly track, by liquid chromatography-mass spectrometry, the passage of deuterium from labelled substrates into NADPH, and combine this approach with carbon labelling and mathematical modelling to measure NADPH fluxes. In proliferating cells, the largest contributor to cytosolic NADPH is the oxidative pentose phosphate pathway. Surprisingly, a nearly comparable contribution comes from serine-driven one-carbon metabolism, in which oxidation of methylene tetrahydrofolate to 10-formyl-tetrahydrofolate is coupled to reduction of NADP+ to NADPH. Moreover, tracing of mitochondrial one-carbon metabolism revealed complete oxidation of 10-formyl-tetrahydrofolate to make NADPH. As folate metabolism has not previously been considered an NADPH producer, confirmation of its functional significance was undertaken through knockdown of methylenetetrahydrofolate dehydrogenase (MTHFD) genes. Depletion of either the cytosolic or mitochondrial MTHFD isozyme resulted in decreased cellular NADPH/NADP+ and reduced/oxidized glutathione ratios (GSH/GSSG) and increased cell sensitivity to oxidative stress. Thus, although the importance of folate metabolism for proliferating cells has been long recognized and attributed to its function of producing one-carbon units for nucleic acid synthesis, another crucial function of this pathway is generating reducing power.

  7. [Multiple dependent variables LS-SVM regression algorithm and its application in NIR spectral quantitative analysis].

    Science.gov (United States)

    An, Xin; Xu, Shuo; Zhang, Lu-Da; Su, Shi-Guang

    2009-01-01

    In the present paper, on the basis of LS-SVM algorithm, we built a multiple dependent variables LS-SVM (MLS-SVM) regression model whose weights can be optimized, and gave the corresponding algorithm. Furthermore, we theoretically explained the relationship between MLS-SVM and LS-SVM. Sixty four broomcorn samples were taken as experimental material, and the sample ratio of modeling set to predicting set was 51 : 13. We first selected randomly and uniformly five weight groups in the interval [0, 1], and then in the way of leave-one-out (LOO) rule determined one appropriate weight group and parameters including penalizing parameters and kernel parameters in the model according to the criterion of the minimum of average relative error. Then a multiple dependent variables quantitative analysis model was built with NIR spectrum and simultaneously analyzed three chemical constituents containing protein, lysine and starch. Finally, the average relative errors between actual values and predicted ones by the model of three components for the predicting set were 1.65%, 6.47% and 1.37%, respectively, and the correlation coefficients were 0.9940, 0.8392 and 0.8825, respectively. For comparison, LS-SVM was also utilized, for which the average relative errors were 1.68%, 6.25% and 1.47%, respectively, and the correlation coefficients were 0.9941, 0.8310 and 0.8800, respectively. It is obvious that MLS-SVM algorithm is comparable to LS-SVM algorithm in modeling analysis performance, and both of them can give satisfying results. The result shows that the model with MLS-SVM algorithm is capable of doing multi-components NIR quantitative analysis synchronously. Thus MLS-SVM algorithm offers a new multiple dependent variables quantitative analysis approach for chemometrics. In addition, the weights have certain effect on the prediction performance of the model with MLS-SVM, which is consistent with our intuition and is validated in this study. Therefore, it is necessary to optimize

  8. An isotope-labeled chemical derivatization method for the quantitation of short-chain fatty acids in human feces by liquid chromatography–tandem mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Han, Jun; Lin, Karen; Sequeira, Carita [University of Victoria – Genome BC Proteomics Centre, University of Victoria, Vancouver Island Technology Park, 3101–4464 Markham Street, Victoria, BC V8Z 7X8 (Canada); Borchers, Christoph H., E-mail: christoph@proteincentre.com [University of Victoria – Genome BC Proteomics Centre, University of Victoria, Vancouver Island Technology Park, 3101–4464 Markham Street, Victoria, BC V8Z 7X8 (Canada); Department of Biochemistry and Microbiology, University of Victoria, Petch Building Room 207, 3800 Finnerty Road, Victoria, BC V8P 5C2 (Canada)

    2015-01-07

    Highlights: • 3-Nitrophenylhydrazine was used to derivatize short-chain fatty acids (SCFAs) for LC-MS/MS. • {sup 13}C{sub 6} analogues were produced for use as isotope-labeled internal standards. • Isotope-labeled standards compensate for ESI matrix effects in LC-MS/MS. • Femtomolar sensitivities and 93–108% quantitation accuracy were achieved for human fecal SCFAs. - Abstract: Short-chain fatty acids (SCFAs) are produced by anaerobic gut microbiota in the large bowel. Qualitative and quantitative measurements of SCFAs in the intestinal tract and the fecal samples are important to understand the complex interplay between diet, gut microbiota and host metabolism homeostasis. To develop a new LC-MS/MS method for sensitive and reliable analysis of SCFAs in human fecal samples, 3-nitrophenylhydrazine (3NPH) was employed for pre-analytical derivatization to convert ten C{sub 2}–C{sub 6} SCFAs to their 3-nitrophenylhydrazones under a single set of optimized reaction conditions and without the need of reaction quenching. The derivatives showed excellent in-solution chemical stability. They were separated on a reversed-phase C{sub 18} column and quantitated by negative-ion electrospray ionization – multiple-reaction monitoring (MRM)/MS. To achieve accurate quantitation, the stable isotope-labeled versions of the derivatives were synthesized in a single reaction vessel from {sup 13}C{sub 6}-3NPH, and were used as internal standard to compensate for the matrix effects in ESI. Method validation showed on-column limits of detection and quantitation over the range from low to high femtomoles for the ten SCFAs, and the intra-day and inter-day precision for determination of nine of the ten SCFAs in human fecal samples was ≤8.8% (n = 6). The quantitation accuracy ranged from 93.1% to 108.4% (CVs ≤ 4.6%, n = 6). This method was used to determine the SCFA concentrations and compositions in six human fecal samples. One of the six samples, which was collected from a

  9. Quantitative and Qualitative Analysis of Biomarkers in Fusarium verticillioides

    Science.gov (United States)

    In this study, a combination HPLC-DART-TOF-MS system was utilized to identify and quantitatively analyze carbohydrates in wild type and mutant strains of Fusarium verticillioides. Carbohydrate fractions were isolated from F. verticillioides cellular extracts by HPLC using a cation-exchange size-excl...

  10. Quantitative security analysis for multi-threaded programs

    NARCIS (Netherlands)

    Ngo, Tri Minh; Huisman, Marieke

    2013-01-01

    Quantitative theories of information flow give us an approach to relax the absolute confidentiality properties that are difficult to satisfy for many practical programs. The classical information-theoretic approaches for sequential programs, where the program is modeled as a communication channel wi

  11. Quantitative Trait Loci Analysis of Allelopathy in Rice

    DEFF Research Database (Denmark)

    Jensen, L B; Courtois, B; Olofsdotter, M

    2008-01-01

    the population phenotype was normally distributed. Two quantitative trait loci (QTLs) were located on chromosomes 4 and 7, explaining 20% of the phenotypic variation. A second relay seeding experiment was set up, this time including charcoal in the perlite. This screening showed that the allelopathic rice...

  12. Quantitative Analysis and Design of a Rudder Roll Damping Controller

    DEFF Research Database (Denmark)

    Hearns, G.; Blanke, M.

    1998-01-01

    A rudder roll damping controller is designed using Quantitative feedback theory to be robust for changes in the ships metacentric height. The analytical constraint due to the non-minimum phase behaviour of the rudder to roll is analysed using the Poisson Integral Formula and it is shown how...

  13. Quantitative analysis of distributed control paradigms of robot swarms

    DEFF Research Database (Denmark)

    Ngo, Trung Dung

    2010-01-01

    describe the physical and simulated robots, experiment scenario, and experiment setup. Third, we present our robot controllers based on behaviour based and neural network based paradigms. Fourth, we graphically show their experiment results and quantitatively analyse the results in comparison of the two...

  14. Teaching Quantitative Reasoning for Nonscience Majors through Carbon Footprint Analysis

    Science.gov (United States)

    Boose, David L.

    2014-01-01

    Quantitative reasoning is a key intellectual skill, applicable across disciplines and best taught in the context of authentic, relevant problems. Here, I describe and assess a laboratory exercise that has students calculate their "carbon footprint" and evaluate the impacts of various behavior choices on that footprint. Students gather…

  15. Quantitative analysis of triglyceride species of vegetable oils by high performance liquid chromatography via a flame ionization detector.

    Science.gov (United States)

    Phillips, F C; Erdahl, W L; Schmit, J A; Privett, O S

    1984-11-01

    A method for the quantitative analysis of triglyceride species composition of vegetable oils by reversed-phase high performance liquid chromatography (RP-HPLC) via a flame ionization detector (FID) is described. Triglycerides are separated into molecular species via Zorbax chemically bonded octadecylsilane (ODS) columns using gradient elution with methylene chloride in acetonitrile. Identification of species is made by matching the retention times of the peaks in the chromatogram with the order of elution of all of the species that could be present in the sample on the basis of a random distribution of the fatty acids and comparison of experimental and calculated theoretical carbon numbers (TCN). Quantitative analysis is based on a direct proportionality of peak areas. Differences in the response of individual species were small and did not dictate the use of response factors. The method is applied to cocoa butter before and after randomization, soybean oil and pure olive oil.

  16. Structural and Quantitative Analysis of Three C-Glycosylflavones by Variable Temperature Proton Quantitative Nuclear Magnetic Resonance

    Directory of Open Access Journals (Sweden)

    Jing Liu

    2017-01-01

    Full Text Available Quantitative nuclear magnetic resonance is a powerful tool in drug analysis because of its speed, precision, and efficiency. In present study, the application of variable temperature proton quantitative nuclear magnetic resonance (VT-1H-qNMR for the calibration of three C-glycosylflavones including orientin, isoorientin, and schaftoside as reference substances was reported. Since there was conformational equilibrium due to the restricted rotation around the C(sp3-C(sp2 bond in C-glycosylflavones, the conformational behaviors were investigated by VT-NMR and verified by molecular mechanics (MM calculation. The VT-1H-qNMR method was validated including the linearity, limit of quantification, precision, and stability. The results were consistent with those obtained from mass balance approach. VT-1H-qNMR can be deployed as an effective tool in analyzing C-glycosylflavones.

  17. Structural and Quantitative Analysis of Three C-Glycosylflavones by Variable Temperature Proton Quantitative Nuclear Magnetic Resonance

    Science.gov (United States)

    Liu, Yang; Dai, Zhong

    2017-01-01

    Quantitative nuclear magnetic resonance is a powerful tool in drug analysis because of its speed, precision, and efficiency. In present study, the application of variable temperature proton quantitative nuclear magnetic resonance (VT-1H-qNMR) for the calibration of three C-glycosylflavones including orientin, isoorientin, and schaftoside as reference substances was reported. Since there was conformational equilibrium due to the restricted rotation around the C(sp3)-C(sp2) bond in C-glycosylflavones, the conformational behaviors were investigated by VT-NMR and verified by molecular mechanics (MM) calculation. The VT-1H-qNMR method was validated including the linearity, limit of quantification, precision, and stability. The results were consistent with those obtained from mass balance approach. VT-1H-qNMR can be deployed as an effective tool in analyzing C-glycosylflavones. PMID:28243484

  18. Current trends of the development of chemical analysis

    Directory of Open Access Journals (Sweden)

    Rema Matakova

    2014-12-01

    Full Text Available This paper presents dynamics of the development of all stages of chemical analysis during last 15 years. The ways of the quality improvement of chemical analysis and its considerable advancement into the field of trace concentrations of substances are shown. Features of development of analytical methods, modern techniques for concentration and separation of substances, as well as chemomerrical processing of results are analyzed. Huge importance of computerization and automation of the analysis is shown.

  19. Modeling the reactivities of hydroxyl radical and ozone towards atmospheric organic chemicals using quantitative structure-reactivity relationship approaches.

    Science.gov (United States)

    Gupta, Shikha; Basant, Nikita; Mohan, Dinesh; Singh, Kunwar P

    2016-07-01

    The persistence and the removal of organic chemicals from the atmosphere are largely determined by their reactions with the OH radical and O3. Experimental determinations of the kinetic rate constants of OH and O3 with a large number of chemicals are tedious and resource intensive and development of computational approaches has widely been advocated. Recently, ensemble machine learning (EML) methods have emerged as unbiased tools to establish relationship between independent and dependent variables having a nonlinear dependence. In this study, EML-based, temperature-dependent quantitative structure-reactivity relationship (QSRR) models have been developed for predicting the kinetic rate constants for OH (kOH) and O3 (kO3) reactions with diverse chemicals. Structural diversity of chemicals was evaluated using a Tanimoto similarity index. The generalization and prediction abilities of the constructed models were established through rigorous internal and external validation performed employing statistical checks. In test data, the EML QSRR models yielded correlation (R (2)) of ≥0.91 between the measured and the predicted reactivities. The applicability domains of the constructed models were determined using methods based on descriptors range, Euclidean distance, leverage, and standardization approaches. The prediction accuracies for the higher reactivity compounds were relatively better than those of the low reactivity compounds. Proposed EML QSRR models performed well and outperformed the previous reports. The proposed QSRR models can make predictions of rate constants at different temperatures. The proposed models can be useful tools in predicting the reactivities of chemicals towards OH radical and O3 in the atmosphere.

  20. Study of resolution enhancement methods for impurities quantitative analysis in uranium compounds by XRF

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Clayton P.; Salvador, Vera L.R.; Cotrim, Marycel E.B.; Pires, Maria Ap. F.; Scapin, Marcos A., E-mail: clayton.pereira.silva@usp.b [Instituto de Pesquisas Energeticas e Nucleares (CQMA/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Quimica e Meio Ambiente

    2011-07-01

    X-ray fluorescence analysis is a technique widely used for the determination of both major and trace elements related to interaction between the sample and radiation, allowing direct and nondestructive analysis. However, in uranium matrices these devices are inefficient because the characteristic emission lines of elements like S, Cl, Zn, Zr, Mo and other overlap characteristic emission lines of uranium. Thus, chemical procedures to separation of uranium are needed to perform this sort of analysis. In this paper the deconvolution method was used to increase spectra resolution and correct the overlaps. The methodology was tested according to NBR ISO 17025 using a set of seven certified reference materials for impurities present in U3O8 (New Brunswick Laboratory - NBL). The results showed that this methodology allows quantitative determination of impurities such as Zn, Zr, Mo and others, in uranium compounds. The detection limits were shorter than 50{mu}g. g{sup -1} and uncertainty was shorter than 10% for the determined elements. (author)

  1. Quantitative analysis of scanning tunneling microscopy images of mixed-ligand-functionalized nanoparticles.

    Science.gov (United States)

    Biscarini, Fabio; Ong, Quy Khac; Albonetti, Cristiano; Liscio, Fabiola; Longobardi, Maria; Mali, Kunal S; Ciesielski, Artur; Reguera, Javier; Renner, Christoph; De Feyter, Steven; Samorì, Paolo; Stellacci, Francesco

    2013-11-12

    Ligand-protected gold nanoparticles exhibit large local curvatures, features rapidly varying over small scales, and chemical heterogeneity. Their imaging by scanning tunneling microscopy (STM) can, in principle, provide direct information on the architecture of their ligand shell, yet STM images require laborious analysis and are challenging to interpret. Here, we report a straightforward, robust, and rigorous method for the quantitative analysis of the multiscale features contained in STM images of samples consisting of functionalized Au nanoparticles deposited onto Au/mica. The method relies on the analysis of the topographical power spectral density (PSD) and allows us to extract the characteristic length scales of the features exhibited by nanoparticles in STM images. For the mixed-ligand-protected Au nanoparticles analyzed here, the characteristic length scale is 1.2 ± 0.1 nm, whereas for the homoligand Au NPs this scale is 0.75 ± 0.05 nm. These length scales represent spatial correlations independent of scanning parameters, and hence the features in the PSD can be ascribed to a fingerprint of the STM contrast of ligand-protected nanoparticles. PSD spectra from images recorded at different laboratories using different microscopes and operators can be overlapped across most of the frequency range, proving that the features in the STM images of nanoparticles can be compared and reproduced.

  2. [Qualitative and quantitative analysis of ammonium salts of hexamethylenetetramine and 1,10-phenanthroline].

    Science.gov (United States)

    Bernatoniene, Rūta; Stankeviciene, Laimute; Stankevicius, Antanas; Janusiene, Laima

    2003-01-01

    By use of chemical and physicochemical methods the qualitative and quantitative analysis of bacteriostatic agents N-carbamoylmethylhexamethylenetetraamonium chloride (U-77) and 1-propyl-1,10-phenanthrolinium iodide (X-50) was carried out. The color reactions of these salts with various agents, e. g., concentrated acids, precipitants, oxidizers, indicators, ninhydrin, salts of heavy metals were assesssed. Some characteristic color reactions were found for analysis of quaternary ammonium salts. Experimental results indicate that interaction of N-carbamoylmethyhexamethylenetetraammonium chloride with silver nitrate leads to precipitate of the free silver in the form of a mirror under the proper conditions. It is a result of degradation of hexamethylenetetramine to formaldehyde and its oxidation, which is accompanied by reduction of silver ion to free silver. By use of thin-layer chromatography and ultraviolet spectrophotometry the physicochemical properties of compounds were tested. The suitability of qualitative methods, such as argentometry, mercurimetry, iodometry, extraction photometric analysis was detected. The results suggest, that the most suitable and precise method is argentometry.

  3. Research on Petroleum Reservoir Diagenesis and Damage Using EDS Quantitative Analysis Method With Standard Samples

    Institute of Scientific and Technical Information of China (English)

    包书景; 陈文学; 等

    2000-01-01

    In recent years,the X-ray spectrometer has been devekloped not only just in enhancing resolution,but also towards dynamic analysis.Computer modeling processing,sampled quantitative analysis and supra-light element analysis.With the gradual sophistication of the quantitative analysis system software,the rationality and accuracy of the established sample deferential document have become the most important guarantee to the reliability of sample quantitative analysis.This work is an important technical subject in China Petroleum Reservoir Research.Through two years of research and experimental work,the EDS quantitative analysis method for petroleum geolgey and resevoir research has been established.and referential documents for five mineral(silicate,etc).specimen standards have been compiled.Closely combining the shape characters and compositional characters of the minerals together and applying them into reservoir diagenetic research and prevention of oil formations from damage,we have obtained obvious geological effects.

  4. The usefulness of 3D quantitative analysis with using MRI for measuring osteonecrosis of the femoral head

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Ji Young; Lee, Sun Wha [Ewha Womans University College of Medicine, Seoul (Korea, Republic of); Park, Youn Soo [Samsung Medical Center, Sungkyunkwan University School of Medicine, Seoul (Korea, Republic of)

    2006-11-15

    We wanted to evaluate the usefulness of MRI 3D quantitative analysis for measuring osteonecrosis of the femoral head in comparison with MRI 2D quantitative analysis and quantitative analysis of the specimen. For 3 months at our hospital, 14 femoral head specimens with osteonecrosis were obtained after total hip arthroplasty. The patients preoperative MRIs were retrospectively reviewed for quantitative analysis of the size of the necrosis. Each necrotic fraction of the femoral head was measured by 2D quantitative analysis with using mid-coronal and mid-sagittal MRIs, and by 3D quantitative analysis with using serial continuous coronal MRIs and 3D reconstruction software. The necrotic fraction of the specimen was physically measured by the fluid displacement method. The necrotic fraction according to MRI 2D or 3D quantitative analysis was compared with that of the specimen by using Spearman's correlation test. On the correlative analysis, the necrotic fraction by MRI 2D quantitative analysis and quantitative analysis of the specimen showed moderate correlation (r = 0.657); on the other hand, the necrotic fraction by MRI 3D quantitative analysis and quantitative analysis of the specimen demonstrated a strong correlation (r = 0.952) ({rho} < 0.05). MRI 3D quantitative analysis was more accurate than 2D quantitative analysis using MRI for measuring osteonecrosis of the femoral head. Therefore, it may be useful for predicting the clinical outcome and deciding the proper treatment option.

  5. Quantitative analysis of immobilized metalloenzymes by atomic absorption spectroscopy.

    Science.gov (United States)

    Opwis, Klaus; Knittel, Dierk; Schollmeyer, Eckhard

    2004-12-01

    A new, sensitive assay for the quantitative determination of immobilized metal containing enzymes has been developed using atomic absorption spectroscopy (AAS). In contrast with conventionally used indirect methods the described quantitative AAS assay for metalloenzymes allows more exact analyses, because the carrier material with the enzyme is investigated directly. As an example, the validity and reliability of the method was examined by fixing the iron-containing enzyme catalase on cotton fabrics using different immobilization techniques. Sample preparation was carried out by dissolving the loaded fabrics in sulfuric acid before oxidising the residues with hydrogen peroxide. The iron concentrations were determined by flame atomic absorption spectrometry after calibration of the spectrometer with solutions of the free enzyme at different concentrations.

  6. Public Library System in Ankara: A Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Bülent Yılmaz

    2014-12-01

    Full Text Available This study investigates 42 public libraries in 25 central districts within the boundaries of Ankara Metropolitan Municipality in respect of five factors according to national and international standards quantitatively. The findings show that public libraries in Ankara are insufficient with respect to the number of buildings, users, staff and collection and also in terms of standards. Therefore, it has been suggested that an urgent planning is necessary for public libraries in Ankara.

  7. Quantitative analysis of pheromone-binding protein specificity

    OpenAIRE

    Katti, S.; Lokhande, N.; D González; Cassill, A.; Renthal, R

    2012-01-01

    Many pheromones have very low water solubility, posing experimental difficulties for quantitative binding measurements. A new method is presented for determining thermodynamically valid dissociation constants for ligands binding to pheromone-binding proteins (OBPs), using β-cyclodextrin as a solubilizer and transfer agent. The method is applied to LUSH, a Drosophila OBP that binds the pheromone 11-cis vaccenyl acetate (cVA). Refolding of LUSH expressed in E. coli was assessed by measuring N-p...

  8. Quantitative Trait Locus Analysis of the Early Domestication of Sunflower

    OpenAIRE

    David M Wills; Burke, John M.

    2007-01-01

    Genetic analyses of the domestication syndrome have revealed that domestication-related traits typically have a very similar genetic architecture across most crops, being conditioned by a small number of quantitative trait loci (QTL), each with a relatively large effect on the phenotype. To date, the domestication of sunflower (Helianthus annuus L.) stands as the only counterexample to this pattern. In previous work involving a cross between wild sunflower (also H. annuus) and a highly improv...

  9. Fluorescent microscopy approaches of quantitative soil microbial analysis

    Science.gov (United States)

    Ivanov, Konstantin; Polyanskaya, Lubov

    2015-04-01

    Classical fluorescent microscopy method was used during the last decades in various microbiological studies of terrestrial ecosystems. The method provides representative results and simple application which is allow to use it both as routine part of amplitudinous research and in small-scaled laboratories. Furthermore, depending on research targets a lot of modifications of fluorescent microscopy method were established. Combination and comparison of several approaches is an opportunity of quantitative estimation of microbial community in soil. The first analytical part of the study was dedicated to soil bacterial density estimation by fluorescent microscopy in dynamic of several 30-days experiments. The purpose of research was estimation of changes in soil bacterial community on the different soil horizons under aerobic and anaerobic conditions with adding nutrients in two experimental sets: cellulose and chitin. Was modified the nalidixic acid method for inhibition of DNA division of gram-negative bacteria, and the method provides the quantification of this bacterial group by fluorescent microscopy. Established approach allowed to estimate 3-4 times more cells of gram-negative bacteria in soil. The functions of actinomyces in soil polymer destruction are traditionally considered as dominant in comparison to gram-negative bacterial group. However, quantification of gram-negative bacteria in chernozem and peatland provides underestimation of classical notion for this bacterial group. Chitin introduction had no positive effect to gram-negative bacterial population density changes in chernozem but concurrently this nutrient provided the fast growing dynamics at the first 3 days of experiment both under aerobic and anaerobic conditions. This is confirming chitinolytic activity of gram-negative bacteria in soil organic matter decomposition. At the next part of research modified method for soil gram-negative bacteria quantification was compared to fluorescent in situ

  10. Chemical Diversity, Origin, and Analysis of Phycotoxins

    DEFF Research Database (Denmark)

    Rasmussen, Silas Anselm; Andersen, Aaron John Christian; Andersen, Nikolaj Gedsted;

    2016-01-01

    Microalgae, particularly those from the lineage Dinoflagellata, are very well-known for their ability to produce phycotoxins that may accumulate in the marine food chain and eventually cause poisoning in humans. This includes toxins accumulating in shellfish, such as saxitoxin, okadaic acid......, yessotoxins, azaspiracids, brevetoxins, and pinnatoxins. Other toxins, such as ciguatoxins and maitotoxins, accumulate in fish, where, as is the case for the latter compounds, they can be metabolized to even more toxic metabolites. On the other hand, much less is known about the chemical nature of compounds...... complex natural compounds known to mankind, with chemical structures that show no resemblance to what has been characterized from plants, fungi, or bacteria. In addition, it will summarize algal species known to be related to fish-killing blooms, but from which ichthyotoxins are yet to be characterized....

  11. Quantitative XRD Analysis of Cement Clinker by the Multiphase Rietveld Method

    Institute of Scientific and Technical Information of China (English)

    HONG Han-lie; FU Zheng-yi; MIN Xin-min

    2003-01-01

    Quantitative phase analysis of Portland cement clinker samples was performed using an adaptation of the Rietveld method.The Rietveld quantitative analysis program,originally in Fortran 77 code,was significantly modified in visual basic code with windows 9X graph-user interface,which is free from the constraint of direct utilizable memory 640 k,and can be conveniently operated under the windows environment.The Rietveld quantitative method provides numerous advantages over conventional XRD quantitative method,especially in the intensity anomalies and superposition problems.Examples of its use are given with the results from other methods.It is concluded that,at present,the Rietveld method is the most suitable one for quantitative phase analysis of Portland cement clinker.

  12. Quantifying chemical reactions by using mixing analysis.

    Science.gov (United States)

    Jurado, Anna; Vázquez-Suñé, Enric; Carrera, Jesús; Tubau, Isabel; Pujades, Estanislao

    2015-01-01

    This work is motivated by a sound understanding of the chemical processes that affect the organic pollutants in an urban aquifer. We propose an approach to quantify such processes using mixing calculations. The methodology consists of the following steps: (1) identification of the recharge sources (end-members) and selection of the species (conservative and non-conservative) to be used, (2) identification of the chemical processes and (3) evaluation of mixing ratios including the chemical processes. This methodology has been applied in the Besòs River Delta (NE Barcelona, Spain), where the River Besòs is the main aquifer recharge source. A total number of 51 groundwater samples were collected from July 2007 to May 2010 during four field campaigns. Three river end-members were necessary to explain the temporal variability of the River Besòs: one river end-member is from the wet periods (W1) and two are from dry periods (D1 and D2). This methodology has proved to be useful not only to compute the mixing ratios but also to quantify processes such as calcite and magnesite dissolution, aerobic respiration and denitrification undergone at each observation point.

  13. Quantitation of DNA methylation by melt curve analysis

    Directory of Open Access Journals (Sweden)

    Jones Michael E

    2009-04-01

    Full Text Available Abstract Background Methylation of DNA is a common mechanism for silencing genes, and aberrant methylation is increasingly being implicated in many diseases such as cancer. There is a need for robust, inexpensive methods to quantitate methylation across a region containing a number of CpGs. We describe and validate a rapid, in-tube method to quantitate DNA methylation using the melt data obtained following amplification of bisulfite modified DNA in a real-time thermocycler. Methods We first describe a mathematical method to normalise the raw fluorescence data generated by heating the amplified bisulfite modified DNA. From this normalised data the temperatures at which melting begins and finishes can be calculated, which reflect the less and more methylated template molecules present respectively. Also the T50, the temperature at which half the amplicons are melted, which represents the summative methylation of all the CpGs in the template mixture, can be calculated. These parameters describe the methylation characteristics of the region amplified in the original sample. Results For validation we used synthesized oligonucleotides and DNA from fresh cells and formalin fixed paraffin embedded tissue, each with known methylation. Using our quantitation we could distinguish between unmethylated, partially methylated and fully methylated oligonucleotides mixed in varying ratios. There was a linear relationship between T50 and the dilution of methylated into unmethylated DNA. We could quantitate the change in methylation over time in cell lines treated with the demethylating drug 5-aza-2'-deoxycytidine, and the differences in methylation associated with complete, clonal or no loss of MGMT expression in formalin fixed paraffin embedded tissues. Conclusion We have validated a rapid, simple in-tube method to quantify methylation which is robust and reproducible, utilizes easily designed primers and does not need proprietary algorithms or software. The

  14. From "weight of evidence" to quantitative data integration using multicriteria decision analysis and Bayesian methods.

    Science.gov (United States)

    Linkov, Igor; Massey, Olivia; Keisler, Jeff; Rusyn, Ivan; Hartung, Thomas

    2015-01-01

    "Weighing" available evidence in the process of decision-making is unavoidable, yet it is one step that routinely raises suspicions: what evidence should be used, how much does it weigh, and whose thumb may be tipping the scales? This commentary aims to evaluate the current state and future roles of various types of evidence for hazard assessment as it applies to environmental health. In its recent evaluation of the US Environmental Protection Agency's Integrated Risk Information System assessment process, the National Research Council committee singled out the term "weight of evidence" (WoE) for critique, deeming the process too vague and detractive to the practice of evaluating human health risks of chemicals. Moving the methodology away from qualitative, vague and controversial methods towards generalizable, quantitative and transparent methods for appropriately managing diverse lines of evidence is paramount for both regulatory and public acceptance of the hazard assessments. The choice of terminology notwithstanding, a number of recent Bayesian WoE-based methods, the emergence of multi criteria decision analysis for WoE applications, as well as the general principles behind the foundational concepts of WoE, show promise in how to move forward and regain trust in the data integration step of the assessments. We offer our thoughts on the current state of WoE as a whole and while we acknowledge that many WoE applications have been largely qualitative and subjective in nature, we see this as an opportunity to turn WoE towards a quantitative direction that includes Bayesian and multi criteria decision analysis.

  15. Quantitative analysis of target components by comprehensive two-dimensional gas chromatography

    NARCIS (Netherlands)

    Mispelaar, V.G. van; Tas, A.C.; Smilde, A.K.; Schoenmakers, P.J.; Asten, A.C. van

    2003-01-01

    Quantitative analysis using comprehensive two-dimensional (2D) gas chromatography (GC) is still rarely reported. This is largely due to a lack of suitable software. The objective of the present study is to generate quantitative results from a large GC x GC data set, consisting of 32 chromatograms. I

  16. Complex pedigree analysis to detect quantitative trait loci in dairy cattle.

    NARCIS (Netherlands)

    Bink, M.C.A.M.

    1998-01-01

    In dairy cattle, many quantitative traits of economic importance show phenotypic variation. For breeding purposes the analysis of this phenotypic variation and uncovering the contribution of genetic factors is very important. Usually, the individual gene effects contributing to the quantitative gene

  17. Quantitative analysis of HIV-1 protease inhibitors in cell lysates using MALDI-FTICR mass spectrometry.

    NARCIS (Netherlands)

    Kampen, JJ van; Burgers, P.C.; Groot, R. de; Osterhaus, A.D.; Reedijk, M.L.; Verschuren, E.J.; Gruters, R.A.; Luider, T.M.

    2008-01-01

    In this report we explore the use of MALDI-FTICR mass spectrometry for the quantitative analysis of five HIV-1 protease inhibitors in cell lysates. 2,5-Dihydroxybenzoic acid (DHB) was used as the matrix. From a quantitative perspective, DHB is usually a poor matrix due to its poor shot-to-shot and p

  18. An Inexpensive Electrodeposition Device and Its Use in a Quantitative Analysis Laboratory Exercise

    Science.gov (United States)

    Parker, Richard H.

    2011-01-01

    An experimental procedure, using an apparatus that is easy to construct, was developed to incorporate a quantitative electrogravimetric determination of the solution nickel content into an undergraduate or advanced high school quantitative analysis laboratory. This procedure produces results comparable to the procedure used for the gravimetric…

  19. Particle concentration measurement of virus samples using electrospray differential mobility analysis and quantitative amino acid analysis.

    Science.gov (United States)

    Cole, Kenneth D; Pease, Leonard F; Tsai, De-Hao; Singh, Tania; Lute, Scott; Brorson, Kurt A; Wang, Lili

    2009-07-24

    Virus reference materials are needed to develop and calibrate detection devices and instruments. We used electrospray differential mobility analysis (ES-DMA) and quantitative amino acid analysis (AAA) to determine the particle concentration of three small model viruses (bacteriophages MS2, PP7, and phiX174). The biological activity, purity, and aggregation of the virus samples were measured using plaque assays, denaturing gel electrophoresis, and size-exclusion chromatography. ES-DMA was developed to count the virus particles using gold nanoparticles as internal standards. ES-DMA additionally provides quantitative measurement of the size and extent of aggregation in the virus samples. Quantitative AAA was also used to determine the mass of the viral proteins in the pure virus samples. The samples were hydrolyzed and the masses of the well-recovered amino acids were used to calculate the equivalent concentration of viral particles in the samples. The concentration of the virus samples determined by ES-DMA was in good agreement with the concentration predicted by AAA for these purified samples. The advantages and limitations of ES-DMA and AAA to characterize virus reference materials are discussed.

  20. 3D Nanoscale Imaging and Quantitative Analysis of Zeolite Catalysts

    NARCIS (Netherlands)

    Zecevic, J.

    2013-01-01

    Zeolites are crystalline microporous aluminosilicates, one of the most versatile and widely used class of materials.The unique physico-chemical properties of zeolites are found to be irreplaceable in many industrial processes such as separation, adsorption and catalysis. To exploit their full potent

  1. Quality assessment of cortex cinnamomi by HPLC chemical fingerprint, principle component analysis and cluster analysis.

    Science.gov (United States)

    Yang, Jie; Chen, Li-Hong; Zhang, Qin; Lai, Mao-Xiang; Wang, Qiang

    2007-06-01

    HPLC fingerprint analysis, principle component analysis (PCA), and cluster analysis were introduced for quality assessment of Cortex cinnamomi (CC). The fingerprint of CC was developed and validated by analyzing 30 samples of CC from different species and geographic locations. Seventeen chromatographic peaks were selected as characteristic peaks and their relative peak areas (RPA) were calculated for quantitative expression of the HPLC fingerprints. The correlation coefficients of similarity in chromatograms were higher than 0.95 for the same species while much lower than 0.6 for different species. Besides, two principal components (PCs) have been extracted by PCA. PC1 separated Cinnamomum cassia from other species, capturing 56.75% of variance while PC2 contributed for their further separation, capturing 19.08% variance. The scores of the samples showed that the samples could be clustered reasonably into different groups corresponding to different species and different regions. The scores and loading plots together revealed different chemical properties of each group clearly. The cluster analysis confirmed the results of PCA analysis. Therefore, HPLC fingerprint in combination with chemometric techniques provide a very flexible and reliable method for quality assessment of traditional Chinese medicines.

  2. Tribology analysis of chemical-mechanical polishing

    Energy Technology Data Exchange (ETDEWEB)

    Runnels, S.R.; Eyman, L.M. (Sematech, Austin, TX (United States))

    1994-06-01

    To better understand the variation of material removal rate on a wafer during chemical-mechanical polishing (CMP), knowledge of the stress distribution on the wafer surface is required. The difference in wafer-surface stress distributions could be considerable depending on whether or not the wafer hydroplanes during polishing. This study analyzes the fluid film between the wafer and pad and demonstrates that hydroplaning is possible for standard CMP processes. The importance of wafer curvature, slurry viscosity, and rotation speed on the thickness of the fluid film is also demonstrated.

  3. Identification of Case Content with Quantitative Network Analysis

    DEFF Research Database (Denmark)

    Christensen, Martin Lolle; Olsen, Henrik Palmer; Tarissan, Fabian

    2016-01-01

    the relevant articles. In order to enhance information retrieval about case content, without relying on manual labor and subjective judgment, we propose in this paper a quantitative method that gives a better indication of case content in terms of which articles a given case is more closely associated with...... of important cases and comparing manual investigation of real content of those cases with the MAININ and MAINOUT articles. Results show that MAININ in particular is able to infer correctly the real content in most of the cases....

  4. Raman and infra-red microspectroscopy: towards quantitative evaluation for clinical research by ratiometric analysis.

    Science.gov (United States)

    Kumar, Srividya; Verma, Taru; Mukherjee, Ria; Ariese, Freek; Somasundaram, Kumaravel; Umapathy, Siva

    2016-04-07

    Biomolecular structure elucidation is one of the major techniques for studying the basic processes of life. These processes get modulated, hindered or altered due to various causes like diseases, which is why biomolecular analysis and imaging play an important role in diagnosis, treatment prognosis and monitoring. Vibrational spectroscopy (IR and Raman), which is a molecular bond specific technique, can assist the researcher in chemical structure interpretation. Based on the combination with microscopy, vibrational microspectroscopy is currently emerging as an important tool for biomedical research, with a spatial resolution at the cellular and sub-cellular level. These techniques offer various advantages, enabling label-free, biomolecular fingerprinting in the native state. However, the complexity involved in deciphering the required information from a spectrum hampered their entry into the clinic. Today with the advent of automated algorithms, vibrational microspectroscopy excels in the field of spectropathology. However, researchers should be aware of how quantification based on absolute band intensities may be affected by instrumental parameters, sample thickness, water content, substrate backgrounds and other possible artefacts. In this review these practical issues and their effects on the quantification of biomolecules will be discussed in detail. In many cases ratiometric analysis can help to circumvent these problems and enable the quantitative study of biological samples, including ratiometric imaging in 1D, 2D and 3D. We provide an extensive overview from the recent scientific literature on IR and Raman band ratios used for studying biological systems and for disease diagnosis and treatment prognosis.

  5. Improved Dynamic Analysis method for quantitative PIXE and SXRF element imaging of complex materials

    Energy Technology Data Exchange (ETDEWEB)

    Ryan, C.G., E-mail: chris.ryan@csiro.au; Laird, J.S.; Fisher, L.A.; Kirkham, R.; Moorhead, G.F.

    2015-11-15

    The Dynamic Analysis (DA) method in the GeoPIXE software provides a rapid tool to project quantitative element images from PIXE and SXRF imaging event data both for off-line analysis and in real-time embedded in a data acquisition system. Initially, it assumes uniform sample composition, background shape and constant model X-ray relative intensities. A number of image correction methods can be applied in GeoPIXE to correct images to account for chemical concentration gradients, differential absorption effects, and to correct images for pileup effects. A new method, applied in a second pass, uses an end-member phase decomposition obtained from the first pass, and DA matrices determined for each end-member, to re-process the event data with each pixel treated as an admixture of end-member terms. This paper describes the new method and demonstrates through examples and Monte-Carlo simulations how it better tracks spatially complex composition and background shape while still benefitting from the speed of DA.

  6. Quantitative magnetometry analysis and structural characterization of multisegmented cobalt–nickel nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Cantu-Valle, Jesus [Department of Physics and Astronomy, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249 (United States); Díaz Barriga-Castro, Enrique [Centro de Investigación de Ciencias Físico Matemáticas/Facultad de Ciencias Físico Matemáticas, Universidad Autónoma de Nuevo León, Pedro de Alba s/n, San Nicolás de Los Garza, Nuevo León 66450 (Mexico); Vega, Víctor; García, Javier [Departamento de Física, Universidad de Oviedo, Calvo Sotelo s/n, Oviedo 33007 (Spain); Mendoza-Reséndez, Raquel [Facultad de Ingeniería Mecánica y Eléctrica. Universidad Autónoma de Nuevo León, Pedro de Alba s/n, San Nicolás de Los Garza, Nuevo León 66450 (Mexico); Luna, Carlos [Centro de Investigación de Ciencias Físico Matemáticas/Facultad de Ciencias Físico Matemáticas, Universidad Autónoma de Nuevo León, Pedro de Alba s/n, San Nicolás de Los Garza, Nuevo León 66450 (Mexico); Manuel Prida, Víctor [Departamento de Física, Universidad de Oviedo, Calvo Sotelo s/n, Oviedo 33007 (Spain); and others

    2015-04-01

    Understanding and measuring the magnetic properties of an individual nanowire and their relationship with crystalline structure and geometry are of scientific and technological great interest. In this work, we report the localized study of the magnetic flux distribution and the undisturbed magnetization of a single ferromagnetic nanowire that poses a bar-code like structure using off-axis electron holography (EH) under Lorentz conditions. The nanowires were grown by template-assisted electrodeposition, using AAO templates. Electron holography allows the visualization of the magnetic flux distribution within and surroundings as well as its quantification. The magnetic analysis performed at individual nanowires was correlated with the chemical composition and crystalline orientation of the nanowires. - Highlights: • The structure-magnetic property relationship of CoNi nanowires is determined. • Off axis electron holography for the magnetic nanowires is used for the analysis. • The magnetization is quantitatively obtained from the retrieved phase images. • These results lead to a better comprehension of the magneto-crystalline phenomena.

  7. Approaches to advancing quantitative human health risk assessment of environmental chemicals in the post-genomic era

    Energy Technology Data Exchange (ETDEWEB)

    Chiu, Weihsueh A., E-mail: chiu.weihsueh@epa.gov [National Center for Environmental Assessment, U.S. Environmental Protection Agency, Washington DC, 20460 (United States); Euling, Susan Y.; Scott, Cheryl Siegel; Subramaniam, Ravi P. [National Center for Environmental Assessment, U.S. Environmental Protection Agency, Washington DC, 20460 (United States)

    2013-09-15

    The contribution of genomics and associated technologies to human health risk assessment for environmental chemicals has focused largely on elucidating mechanisms of toxicity, as discussed in other articles in this issue. However, there is interest in moving beyond hazard characterization to making more direct impacts on quantitative risk assessment (QRA) — i.e., the determination of toxicity values for setting exposure standards and cleanup values. We propose that the evolution of QRA of environmental chemicals in the post-genomic era will involve three, somewhat overlapping phases in which different types of approaches begin to mature. The initial focus (in Phase I) has been and continues to be on “augmentation” of weight of evidence — using genomic and related technologies qualitatively to increase the confidence in and scientific basis of the results of QRA. Efforts aimed towards “integration” of these data with traditional animal-based approaches, in particular quantitative predictors, or surrogates, for the in vivo toxicity data to which they have been anchored are just beginning to be explored now (in Phase II). In parallel, there is a recognized need for “expansion” of the use of established biomarkers of susceptibility or risk of human diseases and disorders for QRA, particularly for addressing the issues of cumulative assessment and population risk. Ultimately (in Phase III), substantial further advances could be realized by the development of novel molecular and pathway-based biomarkers and statistical and in silico models that build on anticipated progress in understanding the pathways of human diseases and disorders. Such efforts would facilitate a gradual “reorientation” of QRA towards approaches that more directly link environmental exposures to human outcomes.

  8. Quantitative characterization of surface topography using spectral analysis

    Science.gov (United States)

    Jacobs, Tevis D. B.; Junge, Till; Pastewka, Lars

    2017-03-01

    Roughness determines many functional properties of surfaces, such as adhesion, friction, and (thermal and electrical) contact conductance. Recent analytical models and simulations enable quantitative prediction of these properties from knowledge of the power spectral density (PSD) of the surface topography. The utility of the PSD is that it contains statistical information that is unbiased by the particular scan size and pixel resolution chosen by the researcher. In this article, we first review the mathematical definition of the PSD, including the one- and two-dimensional cases, and common variations of each. We then discuss strategies for reconstructing an accurate PSD of a surface using topography measurements at different size scales. Finally, we discuss detecting and mitigating artifacts at the smallest scales, and computing upper/lower bounds on functional properties obtained from models. We accompany our discussion with virtual measurements on computer-generated surfaces. This discussion summarizes how to analyze topography measurements to reconstruct a reliable PSD. Analytical models demonstrate the potential for tuning functional properties by rationally tailoring surface topography—however, this potential can only be achieved through the accurate, quantitative reconstruction of the PSDs of real-world surfaces.

  9. Quantitative Raman spectroscopy for the analysis of carrot bioactives.

    Science.gov (United States)

    Killeen, Daniel P; Sansom, Catherine E; Lill, Ross E; Eason, Jocelyn R; Gordon, Keith C; Perry, Nigel B

    2013-03-20

    Rapid quantitative near-infrared Fourier transform Raman analyses of the key phytonutrients in carrots, polyacetylenes and carotenoids, are reported here for the first time. Solvent extracts of 31 carrot lines were analyzed for these phytonutrients by conventional methods, polyacetylenes by GC-FID and carotenoids by visible spectrophotometry. Carotenoid concentrations were 0-5586 μg g(-1) dry weight (DW). Polyacetylene concentrations were 74-4846 μg g(-1) DW, highest in wild carrots. The polyacetylenes were falcarinol, 6-1237 μg g(-1) DW; falcarindiol, 42-3475 μg g(-1) DW; and falcarindiol 3-acetate, 27-649 μg g(-1) DW. Strong Raman bands for carotenoids gave good correlation to results by visible spectrophotometry. A chemometric model capable of quantitating carotenoids from Raman data was developed. A classification model for rapidly distinguishing carrots with high and low polyacetylene (limit of detection = 1400 μg g(-1)) concentrations based on Raman spectral intensity in the region of 2250 cm(-1) was produced.

  10. Issues in qualitative and quantitative risk analysis for developmental toxicology.

    Science.gov (United States)

    Kimmel, C A; Gaylor, D W

    1988-03-01

    The qualitative and quantitative evaluation of risk in developmental toxicology has been discussed in several recent publications. A number of issues still are to be resolved in this area. The qualitative evaluation and interpretation of end points in developmental toxicology depends on an understanding of the biological events leading to the end points observed, the relationships among end points, and their relationship to dose and to maternal toxicity. The interpretation of these end points is also affected by the statistical power of the experiments used for detecting the various end points observed. The quantitative risk assessment attempts to estimate human risk for developmental toxicity as a function of dose. The current approach is to apply safety (uncertainty) factors to the no observed effect level (NOEL). An alternative presented and discussed here is to model the experimental data and apply a safety factor to an estimated risk level to achieve an "acceptable" level of risk. In cases where the dose-response curves upward, this approach provides a conservative estimate of risk. This procedure does not preclude the existence of a threshold dose. More research is needed to develop appropriate dose-response models that can provide better estimates for low-dose extrapolation of developmental effects.

  11. Quantitative Analysis of Moisture Effect on Black Soil Reflectance

    Institute of Scientific and Technical Information of China (English)

    LIU Huan-Jun; ZHANG Yuan-Zhi; ZHANG Xin-Le; ZHANG Bai; SONG Kai-Shan; WANG Zong-Ming; TANG Na

    2009-01-01

    Several studies have demonstrated that soil reflectance decreases with increasing soil moisture content,or increases when the soil moisture reaches a certain content;however,there are few analyses on the quantitative relationship between soil reflectance and its moisture,especially in the case of black soils in northeast China.A new moisture adjusting method was developed to obtain soil reflectance with a smaller moisture interval to describe the quantitative relationship between soil reflectance and moisture.For the soil samples with moisture contents ranging from air-dry to saturated,the changes in soil reflectance with soil moisture can be depicted using a cubic equation.Both moisture threshold (MT) and moisture inflexion (MI) of soil reflectance can also be determined by the equation.When the moisture range was smaller than MT,soil reflectance can be simulated with a linear model.However,for samples with different soil organic matter (OM),the parameters of the linear model varied regularly with the OM content.Based on their relationship,the soil moisture can be estimated from soil reflectance in the black soil region.

  12. Towards quantitative analysis of retinal features in optical coherence tomography.

    Science.gov (United States)

    Baroni, Maurizio; Fortunato, Pina; La Torre, Agostino

    2007-05-01

    The purpose of this paper was to propose a new computer method for quantitative evaluation of representative features of the retina using optical coherence tomography (OCT). A multi-step approach was devised and positively tested for segmentation of the three main retinal layers: the vitreo-retinal interface and the inner and outer retina. Following a preprocessing step, three regions of interest were delimited. Significant peaks corresponding to high and low intensity strips were located along the OCT A-scan lines and accurate boundaries between different layers were obtained by maximizing an edge likelihood function. For a quantitative description, thickness measurement, densitometry, texture and curvature analyses were performed. As a first application, the effect of intravitreal injection of triamcinolone acetonide (IVTA) for the treatment of vitreo-retinal interface syndrome was evaluated. Almost all the parameters, measured on a set of 16 pathologic OCT images, were statistically different before and after IVTA injection (pvitreo-retinal interface and in the inner retinal layers. Texture parameters in the inner and outer retinal layers significantly correlated with the visual acuity restoration. According to these findings an IVTA injection might be considered a possible alternative to surgery for selected patients. In conclusion, the proposed approach appeared to be a promising tool for the investigation of tissue changes produced by pathology and/or therapy.

  13. A quantitative analysis of OCN- formation in interstellar ice analogs

    CERN Document Server

    Van Broekhuizen, F A; Schutte, W A

    2003-01-01

    The 4.62 micron absorption band, observed along the line-of-sight towards various young stellar objects, is generally used as a qualitative indicator for energetic processing of interstellar ice mantles. This interpretation is based on the excellent fit with OCN-, which is readily formed by ultraviolet (UV) or ion-irradiation of ices containing H2O, CO and NH3. However, the assignment requires both qualitative and quantitative agreement in terms of the efficiency of formation as well as the formation of additional products. Here, we present the first quantitative results on the efficiency of laboratory formation of OCN- from ices composed of different combinations of H2O, CO, CH3OH, HNCO and NH3 by UV- and thermally-mediated solid state chemistry. Our results show large implications for the use of the 4.62 micron feature as a diagnostic for energetic ice-processing. UV-mediated formation of OCN- from H2O/CO/NH3 ice matrices falls short in reproducing the highest observed interstellar abundances. In this case,...

  14. Chemical composition and quantitative relationship between meteorological condition and fine particles in Beijing

    Institute of Scientific and Technical Information of China (English)

    WANG Jing-li; ZHANG Yuan-hang; SHAO Min; Liu Xu-lin; ZENG Li-min; CHENG Cong-lan; XU Xiao-feng

    2004-01-01

    The recent year's monitor results of Beijing indicated that the pollution level of fine particles PM2.5 showed an increasing trend. To understand pollution characteristics of PM2.5 and its relationship with the meteorological conditions in Beijing, a one-year monitoring of PM2.5 mass concentration and correspondent meteorological parameters was performed in Beijing in 2001. The PM2.5 levels in Beijing were very high, the annual average PM2.5 concentration in 2001 was 7 times of the National Ambient Air Quality Standards proposed by US EPA. The major chemical compositions were organics, sulfate, crustals and nitrate. It was found that the mass concentrations of PM2.5 were influenced by meteorological conditions. The correlation between the mass concentrations of PM2.5 and the relative humidity was found. And the correlation became closer at higher relative humidity. And the mass concentrations of PM2.5 were negtive-correlated to wind speeds, but the correlation between the mass concentration of PM2.5 and wind speed was not good at stronger wind.

  15. Quantitative image analysis of microstructure development during pressure sintering of CoO

    Energy Technology Data Exchange (ETDEWEB)

    Miro, A; Notis, M R

    1979-01-01

    An automatic system for quantitative image analysis was developed to study the transition from intermediate to final stage pore structure in pressure-sintered CoO. One of the significant results from this study indicates that the projected length is a good parameter to observe the transition from open cylindrical to closed porosity. Quantitative image analysis indicates that the Zener relationship (r/G approx. P) is obeyed through the entire sintering process.

  16. Quantitative image analysis in the assessment of diffuse large B-cell lymphoma.

    Science.gov (United States)

    Chabot-Richards, Devon S; Martin, David R; Myers, Orrin B; Czuchlewski, David R; Hunt, Kristin E

    2011-12-01

    Proliferation rates in diffuse large B-cell lymphoma have been associated with conflicting outcomes in the literature, more often with high proliferation associated with poor prognosis. In most studies, the proliferation rate was estimated by a pathologist using an immunohistochemical stain for the monoclonal antibody Ki-67. We hypothesized that a quantitative image analysis algorithm would give a more accurate estimate of the proliferation rate, leading to better associations with survival. In all, 84 cases of diffuse large B-cell lymphoma were selected according to the World Health Organization criteria. Ki-67 percentage positivity estimated by the pathologist was recorded from the original report. The same slides were then scanned using an Aperio ImageScope, and Ki-67 percentage positivity was calculated using a computer-based quantitative immunohistochemistry nuclear algorithm. In addition, chart review was performed and survival time was recorded. The Ki-67 percentage estimated by the pathologist from the original report versus quantitative image analysis was significantly correlated (Pquantitative image analysis (P=0.021). There was less agreement at lower Ki-67 percentages. Comparison of Ki-67 percentage positivity versus survival did not show significant association either with pathologist estimate or quantitative image analysis. However, although not significant, there was a trend of worse survival at higher proliferation rates detected by the pathologist but not by quantitative image analysis. Interestingly, our data suggest that the Ki-67 percentage positivity as assessed by the pathologist may be more closely associated with survival outcome than that identified by quantitative image analysis. This may indicate that pathologists are better at selecting appropriate areas of the slide. More cases are needed to assess whether this finding would be statistically significant. Due to the good correlation between pathologist estimate and quantitative image

  17. Quantitative Anatomic Analysis of the Native Ligamentum Teres

    Science.gov (United States)

    Mikula, Jacob D.; Slette, Erik L.; Chahla, Jorge; Brady, Alex W.; Locks, Renato; Trindade, Christiano A. C.; Rasmussen, Matthew T.; LaPrade, Robert F.; Philippon, Marc J.

    2017-01-01

    Background: While recent studies have addressed the biomechanical function of the ligamentum teres and provided descriptions of ligamentum teres reconstruction techniques, its detailed quantitative anatomy remains relatively undocumented. Moreover, there is a lack of consensus in the literature regarding the number and morphology of the acetabular attachments of the ligamentum teres. Purpose: To provide a clinically relevant quantitative anatomic description of the native human ligamentum teres. Study Design: Descriptive laboratory study. Methods: Ten human cadaveric hemipelvises, complete with femurs (mean age, 59.6 years; range, 47-65 years), were dissected free of all extra-articular soft tissues to isolate the ligamentum teres and its attachments. A coordinate measuring device was used to quantify the attachment areas and their relationships to pertinent open and arthroscopic landmarks on both the acetabulum and the femur. The clock face reference system was utilized to describe acetabular anatomy, and all anatomic relationships were described using the mean and 95% confidence intervals. Results: There were 6 distinct attachments to the acetabulum and 1 to the femur. The areas of the acetabular and femoral attachment footprints of the ligamentum teres were 434 mm2 (95% CI, 320-549 mm2) and 84 mm2 (95% CI, 65-104 mm2), respectively. The 6 acetabular clock face locations were as follows: anterior attachment, 4:53 o’clock (95% CI, 4:45-5:02); posterior attachment, 6:33 o’clock (95% CI, 6:23-6:43); ischial attachment, 8:07 o’clock (95% CI, 7:47-8:26); iliac attachment, 1:49 o’clock (95% CI, 1:04-2:34); and a smaller pubic attachment that was located at 3:50 o’clock (95% CI, 3:41-4:00). The ischial attachment possessed the largest cross-sectional attachment area (127.3 mm2; 95% CI, 103.0-151.7 mm2) of all the acetabular attachments of the ligamentum teres. Conclusion: The most important finding of this study was that the human ligamentum teres had 6

  18. Bridging the gaps for global sustainable development: a quantitative analysis.

    Science.gov (United States)

    Udo, Victor E; Jansson, Peter Mark

    2009-09-01

    Global human progress occurs in a complex web of interactions between society, technology and the environment as driven by governance and infrastructure management capacity among nations. In our globalizing world, this complex web of interactions over the last 200 years has resulted in the chronic widening of economic and political gaps between the haves and the have-nots with consequential global cultural and ecosystem challenges. At the bottom of these challenges is the issue of resource limitations on our finite planet with increasing population. The problem is further compounded by pleasure-driven and poverty-driven ecological depletion and pollution by the haves and the have-nots respectively. These challenges are explored in this paper as global sustainable development (SD) quantitatively; in order to assess the gaps that need to be bridged. Although there has been significant rhetoric on SD with very many qualitative definitions offered, very few quantitative definitions of SD exist. The few that do exist tend to measure SD in terms of social, energy, economic and environmental dimensions. In our research, we used several human survival, development, and progress variables to create an aggregate SD parameter that describes the capacity of nations in three dimensions: social sustainability, environmental sustainability and technological sustainability. Using our proposed quantitative definition of SD and data from relatively reputable secondary sources, 132 nations were ranked and compared. Our comparisons indicate a global hierarchy of needs among nations similar to Maslow's at the individual level. As in Maslow's hierarchy of needs, nations that are struggling to survive are less concerned with environmental sustainability than advanced and stable nations. Nations such as the United States, Canada, Finland, Norway and others have higher SD capacity, and thus, are higher on their hierarchy of needs than nations such as Nigeria, Vietnam, Mexico and other

  19. [Quantitative analysis of alloy steel based on laser induced breakdown spectroscopy with partial least squares method].

    Science.gov (United States)

    Cong, Zhi-Bo; Sun, Lan-Xiang; Xin, Yong; Li, Yang; Qi, Li-Feng; Yang, Zhi-Jia

    2014-02-01

    In the present paper both the partial least squares (PLS) method and the calibration curve (CC) method are used to quantitatively analyze the laser induced breakdown spectroscopy data obtained from the standard alloy steel samples. Both the major and trace elements were quantitatively analyzed. By comparing the results of two different calibration methods some useful results were obtained: for major elements, the PLS method is better than the CC method in quantitative analysis; more importantly, for the trace elements, the CC method can not give the quantitative results due to the extremely weak characteristic spectral lines, but the PLS method still has a good ability of quantitative analysis. And the regression coefficient of PLS method is compared with the original spectral data with background interference to explain the advantage of the PLS method in the LIBS quantitative analysis. Results proved that the PLS method used in laser induced breakdown spectroscopy is suitable for quantitative analysis of trace elements such as C in the metallurgical industry.

  20. Quantitative analysis of defects in silicon. Silicon sheet growth development for the large are silicon sheet task of the low-cost solar array project

    Science.gov (United States)

    Natesh, R.; Smith, J. M.; Bruce, T.; Oidwai, H. A.

    1980-01-01

    One hundred and seventy four silicon sheet samples were analyzed for twin boundary density, dislocation pit density, and grain boundary length. Procedures were developed for the quantitative analysis of the twin boundary and dislocation pit densities using a QTM-720 Quantitative Image Analyzing system. The QTM-720 system was upgraded with the addition of a PDP 11/03 mini-computer with dual floppy disc drive, a digital equipment writer high speed printer, and a field-image feature interface module. Three versions of a computer program that controls the data acquisition and analysis on the QTM-720 were written. Procedures for the chemical polishing and etching were also developed.

  1. Quantitative Analysis of Matrine in Liquid Crystalline Nanoparticles by HPLC

    Directory of Open Access Journals (Sweden)

    Xinsheng Peng

    2014-01-01

    Full Text Available A reversed-phase high-performance liquid chromatographic method has been developed to quantitatively determine matrine in liquid crystal nanoparticles. The chromatographic method is carried out using an isocratic system. The mobile phase was composed of methanol-PBS(pH6.8-triethylamine (50 : 50 : 0.1% with a flow rate of 1 mL/min with SPD-20A UV/vis detector and the detection wavelength was at 220 nm. The linearity of matrine is in the range of 1.6 to 200.0 μg/mL. The regression equation is y=10706x-2959 (R2=1.0. The average recovery is 101.7%; RSD=2.22%  (n=9. This method provides a simple and accurate strategy to determine matrine in liquid crystalline nanoparticle.

  2. Advance in orientation microscopy: quantitative analysis of nanocrystalline structures.

    Science.gov (United States)

    Seyring, Martin; Song, Xiaoyan; Rettenmayr, Markus

    2011-04-26

    The special properties of nanocrystalline materials are generally accepted to be a consequence of the high density of planar defects (grain and twin boundaries) and their characteristics. However, until now, nanograin structures have not been characterized with similar detail and statistical relevance as coarse-grained materials, due to the lack of an appropriate method. In the present paper, a novel method based on quantitative nanobeam diffraction in transmission electron microscopy (TEM) is presented to determine the misorientation of adjacent nanograins and subgrains. Spatial resolution of twin boundaries is substantially higher than that observed in bright-field images in the TEM; small angle grain boundaries are prominent; there is an obvious dependence of the grain boundary characteristics on grain size distribution and mean grain size.

  3. Quantitative phosphoproteomic analysis of porcine muscle within 24 h postmortem

    DEFF Research Database (Denmark)

    Huang, Honggang; Larsen, Martin Røssel; Palmisano, Giuseppe

    2014-01-01

    phosphorylation levels in muscle within 24 h PM. The high phosphorylation level of heat shock proteins (HSPs) in early PM may be an adaptive response to slaughter stress and protect muscle cell from apoptosis, as observed in the serine 84 of HSP27. This work indicated that PM muscle proteins underwent significant...... the dimethyl labeling combined with the TiSH phosphopeptide enrichment and LC-MS/MS strategy. This was the first high-throughput quantitative phosphoproteomic study in PM muscle of farm animals. In the work, both the proteome and phosphoproteome were analyzed, and the large number of identified peptides......, phosphopeptides and phosphorylation sites can greatly enrich the current farm animal protein database. The proteins involved in glycometabolism, muscle contraction and heat shock proteins (HSPs) showed significantly changed phosphorylation levels during PM meat development. This work indicated that PM muscle...

  4. Effects of atrazine in fish, amphibians, and reptiles: an analysis based on quantitative weight of evidence.

    Science.gov (United States)

    Van Der Kraak, Glen J; Hosmer, Alan J; Hanson, Mark L; Kloas, Werner; Solomon, Keith R

    2014-12-01

    A quantitative weight of evidence (WoE) approach was developed to evaluate studies used for regulatory purposes, as well as those in the open literature, that report the effects of the herbicide atrazine on fish, amphibians, and reptiles. The methodology for WoE analysis incorporated a detailed assessment of the relevance of the responses observed to apical endpoints directly related to survival, growth, development, and reproduction, as well as the strength and appropriateness of the experimental methods employed. Numerical scores were assigned for strength and relevance. The means of the scores for relevance and strength were then used to summarize and weigh the evidence for atrazine contributing to ecologically significant responses in the organisms of interest. The summary was presented graphically in a two-dimensional graph which showed the distributions of all the reports for a response. Over 1290 individual responses from studies in 31 species of fish, 32 amphibians, and 8 reptiles were evaluated. Overall, the WoE showed that atrazine might affect biomarker-type responses, such as expression of genes and/or associated proteins, concentrations of hormones, and biochemical processes (e.g. induction of detoxification responses), at concentrations sometimes found in the environment. However, these effects were not translated to adverse outcomes in terms of apical endpoints. The WoE approach provided a quantitative, transparent, reproducible, and robust framework that can be used to assist the decision-making process when assessing environmental chemicals. In addition, the process allowed easy identification of uncertainty and inconsistency in observations, and thus clearly identified areas where future investigations can be best directed.

  5. Review times in peer review: quantitative analysis of editorial workflows

    CERN Document Server

    Mrowinski, Maciej J; Fronczak, Piotr; Nedic, Olgica; Ausloos, Marcel

    2015-01-01

    We examine selected aspects of peer review and suggest possible improvements. To this end, we analyse a dataset containing information about 300 papers submitted to the Biochemistry and Biotechnology section of the Journal of the Serbian Chemical Society. After separating the peer review process into stages that each review has to go through, we use a weighted directed graph to describe it in a probabilistic manner and test the impact of some modifications of the editorial policy on the efficiency of the whole process.

  6. Effects of Animal Manures and Chemical Fertilizer on Quantitative and Qualitative Characteristics of Milk Thistle Plant (Silybum marianum

    Directory of Open Access Journals (Sweden)

    R Yazdani Biuki

    2011-02-01

    Full Text Available Abstract Milk Thistle (Silybum marianum is one of the medicinal plants that has many drug properties. In order to evaluate effects of animal manures and chemical fertilizer on yield and yield components of Milk Thistle plant, an experiment was conducted in the Research Farm of Ferdowsi University of Mashhad in year 2008 based on completely randomized block design with three replications and four treatments. The treatments included: control (without any manure or fertilizer, chemical NPK fertilizer, cattle and sheep manures. The characteristics such as number of lateral stem per plant, height of plant, number of inflorescences per plant, inflorescence diameter, number of seeds per capitol, 1000 seed weight, seed yield, biological yield, harvest index, oil percentage, silymarin percentage (active ingredient, silybin percentage, oil yield and silymarin yield were recorded. The results showed that different treatments had no effect on yield components, but had significant effect on oil percentage, silymarin and silybin content of seeds. Cattle manure had more oil (21% and silybin (21.7% compared with other treatments. There was no significant difference in oil and silymarin percentage between control and chemical fertilizer treatments. Cattle manure and sheep manure had minimum percentage of silybin (16.4 and maximum percentage of silymarin (3.1 Compared with other treatments. There were positive correlation between height of plant with seed yield (r=0.86** and inflorescence diameter (r=0.6*, which represents importance of these traits for final yield assessment. There were no positive correlation between seed yield and other yields components. Keywords: Milk Thistle, Quantitative and qualitative characteristics, Animal manures, Medicinal plants

  7. Analysis of blood spots for polyfluoroalkyl chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Kayoko; Wanigatunga, Amal A.; Needham, Larry L. [Division of Laboratory Sciences, National Center for Environmental Health, Centers for Disease Control and Prevention, Atlanta, GA (United States); Calafat, Antonia M., E-mail: acalafat@cdc.gov [Division of Laboratory Sciences, National Center for Environmental Health, Centers for Disease Control and Prevention, Atlanta, GA (United States)

    2009-12-10

    Polyfluoroalkyl chemicals (PFCs) have been detected in humans, in the environment, and in ecosystems around the world. The potential for developmental and reproductive toxicities of some PFCs is of concern especially to children's health. In the United States, a sample of a baby's blood, called a 'dried blood spot' (DBS), is obtained from a heel stick within 48 h of a child's birth. DBS could be useful for assessing prenatal exposure to PFCs. We developed a method based on online solid phase extraction coupled with high performance liquid chromatography-isotope dilution tandem mass spectrometry for measuring four PFCs in DBS, perfluorooctane sulfonate (PFOS), perfluorohexane sulfonate, perfluorooctanoate (PFOA), and perfluorononanoate. The analytical limits of detection using one whole DBS ({approx}75 {mu}L of blood) were <0.5 ng mL{sup -1}. To validate the method, we analyzed 98 DBS collected in May 2007 in the United States. PFOS and PFOA were detected in all DBS at concentrations in the low ng mL{sup -1} range. These data suggest that DBS may be a suitable matrix for assessing perinatal exposure to PFCs, but additional information related to sampling and specimen storage is needed to demonstrate the utility of these measures for assessing exposure.

  8. Quantitative assessment of in-solution digestion efficiency identifies optimal protocols for unbiased protein analysis

    DEFF Research Database (Denmark)

    Leon, Ileana R; Schwämmle, Veit; Jensen, Ole N;

    2013-01-01

    a combination of qualitative and quantitative LC-MS/MS methods and statistical data analysis. In contrast to previous studies we employed both standard qualitative as well as data-independent quantitative workflows to systematically assess trypsin digestion efficiency and bias using mitochondrial protein...... conditions (buffer, RapiGest, deoxycholate, urea), and two methods for removal of detergents prior to analysis of peptides (acid precipitation or phase separation with ethyl acetate). Our data-independent quantitative LC-MS/MS workflow quantified over 3700 distinct peptides with 96% completeness between all...... protocols and replicates, with an average 40% protein sequence coverage and an average of 11 peptides identified per protein. Systematic quantitative and statistical analysis of physicochemical parameters demonstrated that deoxycholate-assisted in-solution digestion combined with phase transfer allows...

  9. Quantitative proteomic analysis of post-translational modifications of human histones

    DEFF Research Database (Denmark)

    Beck, Hans Christian; Nielsen, Eva C; Matthiesen, Rune;

    2006-01-01

    software for qualitative and quantitative proteomic analysis of histones extracted from human small cell lung cancer cells. A total of 32 acetylations, methylations, and ubiquitinations were located in the human histones H2A, H2B, H3, and H4, including seven novel modifications. An LC-MSMS-based method...... was applied in a quantitative proteomic study of the dose-response effect of the histone deacetylase inhibitor (HDACi) PXD101 on histone acetylation in human cell cultures. Triplicate LC-MSMS runs at six different HDACi concentrations demonstrated that PXD101 affects acetylation of histones H2A, H2B, H3...... by quantitative proteomics of histones from HDACi-treated cells were consistent with Western blot analysis of histone acetylation, cytotoxicity, and dose-dependent expression profiles of p21 and cyclin A2. This demonstrates that mass spectrometry-based quantitative proteomic analysis of post...

  10. An iterative approach to case study analysis: insights from qualitative analysis of quantitative inconsistencies

    Directory of Open Access Journals (Sweden)

    Allain J Barnett

    2016-09-01

    Full Text Available Large-N comparative studies have helped common pool resource scholars gain general insights into the factors that influence collective action and governance outcomes. However, these studies are often limited by missing data, and suffer from the methodological limitation that important information is lost when we reduce textual information to quantitative data. This study was motivated by nine case studies that appeared to be inconsistent with the expectation that the presence of Ostrom’s Design Principles increases the likelihood of successful common pool resource governance. These cases highlight the limitations of coding and analysing Large-N case studies. We examine two issues: 1 the challenge of missing data and 2 potential approaches that rely on context (which is often lost in the coding process to address inconsistencies between empirical observations theoretical predictions.  For the latter, we conduct a post-hoc qualitative analysis of a large-N comparative study to explore 2 types of inconsistencies: 1 cases where evidence for nearly all design principles was found, but available evidence led to the assessment that the CPR system was unsuccessful and 2 cases where the CPR system was deemed successful despite finding limited or no evidence for design principles.  We describe inherent challenges to large-N comparative analysis to coding complex and dynamically changing common pool resource systems for the presence or absence of design principles and the determination of “success”.  Finally, we illustrate how, in some cases, our qualitative analysis revealed that the identity of absent design principles explained inconsistencies hence de-facto reconciling such apparent inconsistencies with theoretical predictions.  This analysis demonstrates the value of combining quantitative and qualitative analysis, and using mixed-methods approaches iteratively to build comprehensive methodological and theoretical approaches to understanding

  11. A quantitative screening-level approach to incorporate chemical exposure and risk/safety into alternative assessment evaluations.

    Science.gov (United States)

    Arnold, Scott M; Greggs, Bill; Goyak, Katy O; Landenberger, Bryce D; Mason, Ann M; Howard, Brett; Zaleski, Rosemary; Howard, Brett; Zaleski, Rosemary T

    2017-03-10

    As the general public and retailers ask for disclosure of chemical ingredients in the marketplace, a number of hazard screening tools were developed to evaluate the so called "greenness" of individual chemical ingredients and/or formulations. The majority of these tools focus only on hazard, often using chemical lists, ignoring the other part of the risk equation: exposure. Using a hazard-only focus can result in regrettable substitutions, changing one chemical ingredient for another that turns out to be more hazardous or shifts the toxicity burden to others. To minimize the incidents of regrettable substitutions, BizNGO describes 'Common Principles' to frame a process for informed substitution. Two of the six principles state reduce hazard and minimize exposure. A number of frameworks have emerged to evaluate and assess alternatives. One framework developed by leading experts under the auspices of the U.S. National Academy of Sciences recommended that hazard and exposure be specifically addressed in the same step when assessing candidate alternatives. For the alternative assessment community, this paper serves as an informational resource for considering exposure in an alternatives assessment using elements of problem formulation; product identity, use, and composition; hazard analysis; exposure analysis; and risk characterization. These conceptual elements build upon practices from government, academia, and industry and are exemplified through two hypothetical case studies demonstrating the questions asked and decisions faced in new product development. These two case studies - inhalation exposure to a generic paint product and environmental exposure to a shampoo rinsed down the drain - demonstrate the criteria, considerations, and methods required to combine exposure models addressing human health and environmental impacts to provide a screening level hazard/exposure (risk) analysis. This paper informs practices for these elements within a comparative risk

  12. Quantitative Expression Analysis in Brassica napus by Northern Blot Analysis and Reverse Transcription-Quantitative PCR in a Complex Experimental Setting.

    Science.gov (United States)

    Rumlow, Annekathrin; Keunen, Els; Klein, Jan; Pallmann, Philip; Riemenschneider, Anja; Cuypers, Ann; Papenbrock, Jutta

    Analysis of gene expression is one of the major ways to better understand plant reactions to changes in environmental conditions. The comparison of many different factors influencing plant growth challenges the gene expression analysis for specific gene-targeted experiments, especially with regard to the choice of suitable reference genes. The aim of this study is to compare expression results obtained by Northern blot, semi-quantitative PCR and RT-qPCR, and to identify a reliable set of reference genes for oilseed rape (Brassica napus L.) suitable for comparing gene expression under complex experimental conditions. We investigated the influence of several factors such as sulfur deficiency, different time points during the day, varying light conditions, and their interaction on gene expression in oilseed rape plants. The expression of selected reference genes was indeed influenced under these conditions in different ways. Therefore, a recently developed algorithm, called GrayNorm, was applied to validate a set of reference genes for normalizing results obtained by Northern blot analysis. After careful comparison of the three methods mentioned above, Northern blot analysis seems to be a reliable and cost-effective alternative for gene expression analysis under a complex growth regime. For using this method in a quantitative way a number of references was validated revealing that for our experiment a set of three references provides an appropriate normalization. Semi-quantitative PCR was prone to many handling errors and difficult to control while RT-qPCR was very sensitive to expression fluctuations of the reference genes.

  13. Quantitative analysis of cholesteatoma using high resolution computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Kikuchi, Shigeru; Yamasoba, Tatsuya (Kameda General Hospital, Chiba (Japan)); Iinuma, Toshitaka

    1992-05-01

    Seventy-three cases of adult cholesteatoma, including 52 cases of pars flaccida type cholesteatoma and 21 of pars tensa type cholesteatoma, were examined using high resolution computed tomography, in both axial (lateral semicircular canal plane) and coronal sections (cochlear, vestibular and antral plane). These cases were classified into two subtypes according to the presence of extension of cholesteatoma into the antrum. Sixty cases of chronic otitis media with central perforation (COM) were also examined as controls. Various locations of the middle ear cavity were measured in terms of size in comparison with pars flaccida type cholesteatoma, pars tensa type cholesteatoma and COM. The width of the attic was significantly larger in both pars flaccida type and pars tensa type cholesteatoma than in COM. With pars flaccida type cholesteatoma there was a significantly larger distance between the malleus and lateral wall of the attic than with COM. In contrast, the distance between the malleus and medial wall of the attic was significantly larger with pars tensa type cholesteatoma than with COM. With cholesteatoma extending into the antrum, regardless of the type of cholesteatoma, there were significantly larger distances than with COM at the following sites: the width and height of the aditus ad antrum, and the width, height and anterior-posterior diameter of the antrum. However, these distances were not significantly different between cholesteatoma without extension into the antrum and COM. The hitherto demonstrated qualitative impressions of bone destruction in cholesteatoma were quantitatively verified in detail using high resolution computed tomography. (author).

  14. Quantitative analysis of a frequency-domain nonlinearity indicator.

    Science.gov (United States)

    Reichman, Brent O; Gee, Kent L; Neilsen, Tracianne B; Miller, Kyle G

    2016-05-01

    In this paper, quantitative understanding of a frequency-domain nonlinearity indicator is developed. The indicator is derived from an ensemble-averaged, frequency-domain version of the generalized Burgers equation, which can be rearranged in order to directly compare the effects of nonlinearity, absorption, and geometric spreading on the pressure spectrum level with frequency and distance. The nonlinear effect is calculated using pressure-squared-pressure quadspectrum. Further theoretical development has given an expression for the role of the normalized quadspectrum, referred to as Q/S by Morfey and Howell [AIAA J. 19, 986-992 (1981)], in the spatial rate of change of the pressure spectrum level. To explore this finding, an investigation of the change in level for initial sinusoids propagating as plane waves through inviscid and thermoviscous media has been conducted. The decibel change with distance, calculated through Q/S, captures the growth and decay of the harmonics and indicates that the most significant changes in level occur prior to sawtooth formation. At large distances, the inviscid case results in a spatial rate of change that is uniform across all harmonics. For thermoviscous media, large positive nonlinear gains are observed but offset by absorption, which leads to a greater overall negative spatial rate of change for higher harmonics.

  15. Quantitative Performance Analysis of the SPEC OMPM2001 Benchmarks

    Directory of Open Access Journals (Sweden)

    Vishal Aslot

    2003-01-01

    Full Text Available The state of modern computer systems has evolved to allow easy access to multiprocessor systems by supporting multiple processors on a single physical package. As the multiprocessor hardware evolves, new ways of programming it are also developed. Some inventions may merely be adopting and standardizing the older paradigms. One such evolving standard for programming shared-memory parallel computers is the OpenMP API. The Standard Performance Evaluation Corporation (SPEC has created a suite of parallel programs called SPEC OMP to compare and evaluate modern shared-memory multiprocessor systems using the OpenMP standard. We have studied these benchmarks in detail to understand their performance on a modern architecture. In this paper, we present detailed measurements of the benchmarks. We organize, summarize, and display our measurements using a Quantitative Model. We present a detailed discussion and derivation of the model. Also, we discuss the important loops in the SPEC OMPM2001 benchmarks and the reasons for less than ideal speedup on our platform.

  16. Quantitative analysis of tumor mitochondrial RNA using microarray

    Institute of Scientific and Technical Information of China (English)

    Cheng-Bo Han; Xiao-Yun Mao; Yan Xin; Shao-Cheng Wang; Jia-Ming Ma; Yu-Jie Zhao

    2005-01-01

    AIM: To design a novel method to rapidly detect the quantitative alteration of mtRNA in patients with tumors.METHODS: Oligo 6.22 and Primer Premier 5.0 bio-soft were used to design 15 pairs of primers of mtRNA cDNA probes in light of the functional and structural property of mtDNA, and then RT-PCR amplification was used to produce 15 probes of mtRNA from one normal gastric mucosal tissue. Total RNA extracted from 9 gastric cancers and corresponding normal gastric mucosal tissues was reverse transcribed into cDNA labeled with fluorescein. The spotted mtDNA microarrays were made and hybridized. Finally,the microarrays were scanned with a GeneTACTM laser scanner to get the hybridized results. Northern blot was used to confirm the microarray results.RESULTS: The hybridized spots were distinct with clear and consistent backgrounds. After data was standardized according to the housekeeping genes, the results showed that the expression levels of some mitochondrial genes in gastric carcinoma were different from those in the corresponding non-cancerous regions.CONCLUSION: The mtDNA expression microarray can rapidly, massively and exactly detect the quantity of mtRNA in tissues and cells. In addition, the whole expressive information of mtRNA from a tumor patient on just one slide can be obtained using this method, providing an effective method to investigate the relationship between mtDNA expression and tumorigenesis.

  17. Quantitative analysis of agricultural land use change in China

    Science.gov (United States)

    Chou, Jieming; Dong, Wenjie; Wang, Shuyu; Fu, Yuqing

    This article reviews the potential impacts of climate change on land use change in China. Crop sown area is used as index to quantitatively analyze the temporal-spatial changes and the utilization of the agricultural land. A new concept is defined as potential multiple cropping index to reflect the potential sowing ability. The impacting mechanism, land use status and its surplus capacity are investigated as well. The main conclusions are as following; During 1949-2010, the agricultural land was the greatest in amount in the middle of China, followed by that in the country's eastern and western regions. The most rapid increase and decrease of agricultural land were observed in Xinjiang and North China respectively, Northwest China and South China is also changed rapid. The variation trend before 1980 differed significantly from that after 1980. Agricultural land was affected by both natural and social factors, such as regional climate and environmental changes, population growth, economic development, and implementation of policies. In this paper, the effects of temperature and urbanization on the coverage of agriculture land are evaluated, and the results show that the urbanization can greatly affects the amount of agriculture land in South China, Northeast China, Xinjiang and Southwest China. From 1980 to 2009, the extent of agricultural land use had increased as the surplus capacity had decreased. Still, large remaining potential space is available, but the future utilization of agricultural land should be carried out with scientific planning and management for the sustainable development.

  18. Quantitative risk analysis offshore-Human and organizational factors

    Energy Technology Data Exchange (ETDEWEB)

    Espen Skogdalen, Jon, E-mail: jon.espen.skogdalen@gmail.co [Department of Industrial Economics, Risk Management and Planning, University of Stavanger, 4036 Stavanger (Norway); Vinnem, Jan Erik, E-mail: jev@preventor.n [Department of Industrial Economics, Risk Management and Planning, University of Stavanger, 4036 Stavanger (Norway)

    2011-04-15

    Quantitative Risk Analyses (QRAs) are one of the main tools for risk management within the Norwegian and UK oil and gas industry. Much criticism has been given to the limitations related to the QRA-models and that the QRAs do not include human and organizational factors (HOF-factors). Norway and UK offshore legislation and guidelines require that the HOF-factors are included in the QRAs. A study of 15 QRAs shows that the factors are to some extent included, and there are large differences between the QRAs. The QRAs are categorized into four levels according to the findings. Level 1 QRAs do not describe or comment on the HOF-factors at all. Relevant research projects have been conducted to fulfill the requirements of Level 3 analyses. At this level, there is a systematic collection of data related to HOF. The methods are systematic and documented, and the QRAs are adjusted. None of the QRAs fulfill the Level 4 requirements. Level 4 QRAs include the model and describe the HOF-factors as well as explain how the results should be followed up in the overall risk management. Safety audits by regulatory authorities are probably necessary to point out the direction for QRA and speed up the development.

  19. A quantitative proteomic analysis of long-term memory

    Directory of Open Access Journals (Sweden)

    Rosenegger David

    2010-03-01

    Full Text Available Abstract Background Memory is the ability to store, retain, and later retrieve learned information. Long-term memory (LTM formation requires: DNA transcription, RNA translation, and the trafficking of newly synthesized proteins. Several components of these processes have already been identified. However, due to the complexity of the memory formation process, there likely remain many yet to be identified proteins involved in memory formation and persistence. Results Here we use a quantitative proteomic method to identify novel memory-associated proteins in neural tissue taken from animals that were trained in vivo to form a long-term memory. We identified 8 proteins that were significantly up-regulated, and 13 that were significantly down-regulated in the LTM trained animals as compared to two different control groups. In addition we found 19 proteins unique to the trained animals, and 12 unique proteins found only in the control animals. Conclusions These results both confirm the involvement of previously identified memory proteins such as: protein kinase C (PKC, adenylate cyclase (AC, and proteins in the mitogen-activated protein kinase (MAPK pathway. In addition these results provide novel protein candidates (e.g. UHRF1 binding protein on which to base future studies.

  20. The Design of Everyday Hate: A Qualitative and Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Katherine Aumer-Ryan

    2007-12-01

    Full Text Available Throughout history artists, poets, and writers have been interested in the nature of hate. Scientists from a variety of disciplines have also attempted to unravel its mysteries. Yet in spite of abundant theorizing and research, most modern scholars still complain that little is known about this complex emotion. In this study, a new approach has been taken. Following Heider’s (1958 observation that scientists can often learn a great deal by exploring people’s “common-sense” or “naïve psychologies,” students at the University of Texas and participants from a number of Internet sites were interviewed regarding their perceptions of the nature of emotion. Using grounded theory and employing mixed-method analyses (qualitative and quantitative, four questions were explored: (1 What do people mean by hate? (2 Whom do they hate? (3 Why do people hate the people they do? (4 How do people attempt to deal with such feelings? From participants’ answers, a theory concerning everyday hate was generated.

  1. Analysis of composition complicated binary mixture by quantitative SEC

    Institute of Scientific and Technical Information of China (English)

    Zhengnian CHEN; Hongfeng XIE; Hu YANG; Zhiliu WANG; Rongshi CHENG

    2008-01-01

    The analyses of the composition of a binary mixture composed of two kinds of industrial complicated materials have great importance for formulation in practice.The present paper provides a quantitative size exclusion chromatography (SEC) method based on the principle of absolute quantification of SEC to solve the problem. The conventional data treatment procedure for the differential refractive index (DRI) signal of SEC H(V) is improved first by dividing it with the injected sample weight and leads to a novel defined weight normalized distribution Hw(V) and its integral Iw(V). These two distributions reflect the response constant of the sample in addition to the conventional normalized distribution F(V). The difference of the average response constants of the composing components provides a sensitive method to compute the composition of their mixture from its Hw(V) or Iw(V). The method was applied to mixtures of a kind of industrial asphalt and paraffin diluents as an example, and successful results are obtained.

  2. Quantitative proteomic analysis of amphotericin B resistance in Leishmania infantum.

    Science.gov (United States)

    Brotherton, Marie-Christine; Bourassa, Sylvie; Légaré, Danielle; Poirier, Guy G; Droit, Arnaud; Ouellette, Marc

    2014-08-01

    Amphotericin B (AmB) in its liposomal form is now considered as either first- or second-line treatment against Leishmania infections in different part of the world. Few cases of AmB resistance have been reported and resistance mechanisms toward AmB are still poorly understood. This paper reports a large-scale comparative proteomic study in the context of AmB resistance. Quantitative proteomics using stable isotope labeling of amino acids in cell culture (SILAC) was used to better characterize cytoplasmic and membrane-enriched (ME) proteomes of the in vitro generated Leishmania infantum AmB resistant mutant AmB1000.1. In total, 97 individual proteins were found as differentially expressed between the mutant and its parental sensitive strain (WT). More than half of these proteins were either metabolic enzymes or involved in transcription or translation processes. Key energetic pathways such as glycolysis and TCA cycle were up-regulated in the mutant. Interestingly, many proteins involved in reactive oxygen species (ROS) scavenging and heat-shock proteins were also up-regulated in the resistant mutant. This work provides a basis for further investigations to understand the roles of proteins differentially expressed in relation with AmB resistance.

  3. Quantitative analysis of TALE-DNA interactions suggests polarity effects.

    Science.gov (United States)

    Meckler, Joshua F; Bhakta, Mital S; Kim, Moon-Soo; Ovadia, Robert; Habrian, Chris H; Zykovich, Artem; Yu, Abigail; Lockwood, Sarah H; Morbitzer, Robert; Elsäesser, Janett; Lahaye, Thomas; Segal, David J; Baldwin, Enoch P

    2013-04-01

    Transcription activator-like effectors (TALEs) have revolutionized the field of genome engineering. We present here a systematic assessment of TALE DNA recognition, using quantitative electrophoretic mobility shift assays and reporter gene activation assays. Within TALE proteins, tandem 34-amino acid repeats recognize one base pair each and direct sequence-specific DNA binding through repeat variable di-residues (RVDs). We found that RVD choice can affect affinity by four orders of magnitude, with the relative RVD contribution in the order NG > HD ≈ NN > NI > NK. The NN repeat preferred the base G over A, whereas the NK repeat bound G with 10(3)-fold lower affinity. We compared AvrBs3, a naturally occurring TALE that recognizes its target using some atypical RVD-base combinations, with a designed TALE that precisely matches 'standard' RVDs with the target bases. This comparison revealed unexpected differences in sensitivity to substitutions of the invariant 5'-T. Another surprising observation was that base mismatches at the 5' end of the target site had more disruptive effects on affinity than those at the 3' end, particularly in designed TALEs. These results provide evidence that TALE-DNA recognition exhibits a hitherto un-described polarity effect, in which the N-terminal repeats contribute more to affinity than C-terminal ones.

  4. Quantitative analysis of PMR-15 polyimide resin by HPLC

    Science.gov (United States)

    Roberts, Gary D.; Lauver, Richard W.

    1987-01-01

    The concentration of individual components and of total solids of 50 wt pct PMR-15 resin solutions was determined using reverse-phase HPLC to within + or - 8 percent accuracy. Acid impurities, the major source of impurities in 3,3', 4,4'-benzophenonetetracarboxylic acid (BTDE), were eliminated by recrystallizing the BTDE prior to esterification. Triester formation was not a problem because of the high rate of esterification of the anhydride relative to that of the carboxylic acid. Aging of PMR-15 resin solutions resulted in gradual formation of the mononadimide and bisnadimide of 4,4'-methylenedianiline, with the BTDE concentration remaining constant. Similar chemical reactions occurred at a reduced rate in dried films of PMR-15 resin.

  5. Interleukin-2 signaling pathway analysis by quantitative phosphoproteomics

    DEFF Research Database (Denmark)

    Osinalde, Nerea; Moss, Helle; Arrizabalaga, Onetsine

    2011-01-01

    in modulation of the immune response. The complete characterization of the IL-2 pathway is essential to understand how aberrant IL-2 signaling results in several diseases such as cancer or autoimmunity and also how IL-2 treatments affect cancer patients. To gain insights into the downstream machinery activated...... by IL-2, we aimed to define the global tyrosine-phosphoproteome of IL-2 pathway in human T cell line Kit225 using high resolution mass spectrometry combined with phosphotyrosine immunoprecipitation and SILAC. The molecular snapshot at 5min of IL-2 stimulation resulted in identification of 172 proteins...... with increased abundance in the tyrosine-phosphorylated complexes, of which 34 were not previously described. In addition, chemical inhibition of the identified IL-2-mediated JAK, PI3K and MAPK signaling pathways, resulted in distinct alteration on the IL-2 dependent proliferation....

  6. From quantitative protein complex analysis to disease mechanism.

    Science.gov (United States)

    Texier, Y; Kinkl, N; Boldt, K; Ueffing, M

    2012-12-15

    Interest in the field of cilia biology and cilia-associated diseases - ciliopathies - has strongly increased over the last few years. Proteomic technologies, especially protein complex analysis by affinity purification-based methods, have been used to decipher various basic but also disease-associated mechanisms. This review focusses on some selected recent studies using affinity purification-based protein complex analysis, thereby exemplifying the great possibilities this technology offers.

  7. Quantitative Brightness Analysis of Fluorescence Intensity Fluctuations in E. Coli.

    Science.gov (United States)

    Hur, Kwang-Ho; Mueller, Joachim D

    2015-01-01

    The brightness measured by fluorescence fluctuation spectroscopy specifies the average stoichiometry of a labeled protein in a sample. Here we extended brightness analysis, which has been mainly applied in eukaryotic cells, to prokaryotic cells with E. coli serving as a model system. The small size of the E. coli cell introduces unique challenges for applying brightness analysis that are addressed in this work. Photobleaching leads to a depletion of fluorophores and a reduction of the brightness of protein complexes. In addition, the E. coli cell and the point spread function of the instrument only partially overlap, which influences intensity fluctuations. To address these challenges we developed MSQ analysis, which is based on the mean Q-value of segmented photon count data, and combined it with the analysis of axial scans through the E. coli cell. The MSQ method recovers brightness, concentration, and diffusion time of soluble proteins in E. coli. We applied MSQ to measure the brightness of EGFP in E. coli and compared it to solution measurements. We further used MSQ analysis to determine the oligomeric state of nuclear transport factor 2 labeled with EGFP expressed in E. coli cells. The results obtained demonstrate the feasibility of quantifying the stoichiometry of proteins by brightness analysis in a prokaryotic cell.

  8. Quantitative Brightness Analysis of Fluorescence Intensity Fluctuations in E. Coli.

    Directory of Open Access Journals (Sweden)

    Kwang-Ho Hur

    Full Text Available The brightness measured by fluorescence fluctuation spectroscopy specifies the average stoichiometry of a labeled protein in a sample. Here we extended brightness analysis, which has been mainly applied in eukaryotic cells, to prokaryotic cells with E. coli serving as a model system. The small size of the E. coli cell introduces unique challenges for applying brightness analysis that are addressed in this work. Photobleaching leads to a depletion of fluorophores and a reduction of the brightness of protein complexes. In addition, the E. coli cell and the point spread function of the instrument only partially overlap, which influences intensity fluctuations. To address these challenges we developed MSQ analysis, which is based on the mean Q-value of segmented photon count data, and combined it with the analysis of axial scans through the E. coli cell. The MSQ method recovers brightness, concentration, and diffusion time of soluble proteins in E. coli. We applied MSQ to measure the brightness of EGFP in E. coli and compared it to solution measurements. We further used MSQ analysis to determine the oligomeric state of nuclear transport factor 2 labeled with EGFP expressed in E. coli cells. The results obtained demonstrate the feasibility of quantifying the stoichiometry of proteins by brightness analysis in a prokaryotic cell.

  9. Quantitative analysis of weak interactions by Lattice energy calculation, Hirshfeld surface and DFT studies of sulfamonomethoxine

    Science.gov (United States)

    Patel, Kinjal D.; Patel, Urmila H.

    2017-01-01

    Sulfamonomethoxine, 4-Amino-N-(6-methoxy-4-pyrimidinyl) benzenesulfonamide (C11H12N4O3S), is investigated by single crystal X-ray diffraction technique. Pair of N-H⋯N and C-H⋯O intermolecular interactions along with π···π interaction are responsible for the stability of the molecular packing of the structure. In order to understand the nature of the interactions and their quantitative contributions towards the crystal packing, the 3D Hirshfeld surface and 2D fingerprint plot analysis are carried out. PIXEL calculations are performed to determine the lattice energies correspond to intermolecular interactions in the crystal structure. Ab initio quantum chemical calculations of sulfamonomethoxine (SMM) have been performed by B3LYP method, using 6-31G** basis set with the help of Schrodinger software. The computed geometrical parameters are in good agreement with the experimental data. The Mulliken charge distribution, calculated using B3LYP method to confirm the presence of electron acceptor and electron donor atoms, responsible for intermolecular hydrogen bond interactions hence the molecular stability.

  10. Virtual unfolding of light sheet fluorescence microscopy dataset for quantitative analysis of the mouse intestine

    Science.gov (United States)

    Candeo, Alessia; Sana, Ilenia; Ferrari, Eleonora; Maiuri, Luigi; D'Andrea, Cosimo; Valentini, Gianluca; Bassi, Andrea

    2016-05-01

    Light sheet fluorescence microscopy has proven to be a powerful tool to image fixed and chemically cleared samples, providing in depth and high resolution reconstructions of intact mouse organs. We applied light sheet microscopy to image the mouse intestine. We found that large portions of the sample can be readily visualized, assessing the organ status and highlighting the presence of regions with impaired morphology. Yet, three-dimensional (3-D) sectioning of the intestine leads to a large dataset that produces unnecessary storage and processing overload. We developed a routine that extracts the relevant information from a large image stack and provides quantitative analysis of the intestine morphology. This result was achieved by a three step procedure consisting of: (1) virtually unfold the 3-D reconstruction of the intestine; (2) observe it layer-by-layer; and (3) identify distinct villi and statistically analyze multiple samples belonging to different intestinal regions. Even if the procedure has been developed for the murine intestine, most of the underlying concepts have a general applicability.

  11. Multiple component quantitative analysis for the pattern recognition and quality evaluation of Kalopanacis Cortex using HPLC.

    Science.gov (United States)

    Men, Chu Van; Jang, Yu Seon; Lee, Kwan Jun; Lee, Jae Hyun; Quang, Tran Hong; Long, Nguyen Van; Luong, Hoang Van; Kim, Young Ho; Kang, Jong Seong

    2011-12-01

    A quantitative and pattern recognition analyses were conducted for quality evaluation of Kalopanacis Cortex (KC) using HPLC. For quantitative analysis, four bioactive compounds, liriodendrin, pinoresinol O-β-D-glucopyranoside, acanthoside B and kalopanaxin B, were determined. The analysis method was optimized and validated using ODS column with mobile phase of methanol and aqueous phosphoric acid. The validation gave acceptable linearities (r > 0.9995), recoveries (98.4% to 101.9%) and precisions (RSD liriodendrin was recommended as a marker compound for the quality control of KC. The pattern analysis was successfully carried out by analyzing thirty two samples from four species, and the authentic KC samples were completely discriminated from other inauthentic species by linear discriminant analysis. The results indicated that the method was suitable for the quantitative analysis of liriodendrin and the quality evaluation of KC.

  12. Quantitative data analysis with SPSS release 8 for Windows a guide for social scientists

    CERN Document Server

    Bryman, Alan

    2002-01-01

    The latest edition of this best-selling introduction to Quantitative Data Analysis through the use of a computer package has been completely updated to accommodate the needs of users of SPSS Release 8 for Windows. Like its predecessor, it provides a non-technical approach to quantitative data analysis and a user-friendly introduction to the widely used SPSS for Windows. It assumes no previous familiarity with either statistics or computing but takes the reader step-by-step through the techniques, reinforced by exercises for further practice. Techniques explained in Quantitative Data Analysis with SPSS Release 8 for Windows include: * correlation * simple and multiple regression * multivariate analysis of variance and covariance * factor analysis The book also covers issues such as sampling, statistical significance, conceptualization and measurement and the selection of appropriate tests. For further information or to download the book's datasets, please visit the webstite: http://www.routledge.com/textbooks/...

  13. Histopathological image analysis of chemical-induced hepatocellular hypertrophy in mice.

    Science.gov (United States)

    Asaoka, Yoshiji; Togashi, Yuko; Mutsuga, Mayu; Imura, Naoko; Miyoshi, Tomoya; Miyamoto, Yohei

    2016-04-01

    Chemical-induced hepatocellular hypertrophy is frequently observed in rodents, and is mostly caused by the induction of phase I and phase II drug metabolic enzymes and peroxisomal lipid metabolic enzymes. Liver weight is a sensitive and commonly used marker for detecting hepatocellular hypertrophy, but is also increased by a number of other factors. Histopathological observations subjectively detect changes such as hepatocellular hypertrophy based on the size of a hepatocyte. Therefore, quantitative microscopic observations are required to evaluate histopathological alterations objectively. In the present study, we developed a novel quantitative method for an image analysis of hepatocellular hypertrophy using liver sections stained with hematoxylin and eosin, and demonstrated its usefulness for evaluating hepatocellular hypertrophy induced by phenobarbital (a phase I and phase II enzyme inducer) and clofibrate (a peroxisomal enzyme inducer) in mice. The algorithm of this imaging analysis was designed to recognize an individual hepatocyte through a combination of pixel-based and object-based analyses. Hepatocellular nuclei and the surrounding non-hepatocellular cells were recognized by the pixel-based analysis, while the areas of the recognized hepatocellular nuclei were then expanded until they ran against their expanding neighboring hepatocytes and surrounding non-hepatocellular cells by the object-based analysis. The expanded area of each hepatocellular nucleus was regarded as the size of an individual hepatocyte. The results of this imaging analysis showed that changes in the sizes of hepatocytes corresponded with histopathological observations in phenobarbital and clofibrate-treated mice, and revealed a correlation between hepatocyte size and liver weight. In conclusion, our novel image analysis method is very useful for quantitative evaluations of chemical-induced hepatocellular hypertrophy.

  14. 水溶性维生素核磁共振定量分析的研究%Studies of NMR Quantitative Analysis for Water-Soluble Vitamins

    Institute of Scientific and Technical Information of China (English)

    张烨; 刘小鹏; 张友杰

    2011-01-01

    药物核磁共振定量分析法,操作简便,样品用量少,定性鉴定和定量分析同步完成,无须被测物的标准对照品,只须一般内标即可完成定量分析,分析速度和精密度可以达到或接近HPLC法.作为药物的水溶性维生素,中国药典中还没有核磁共振定量分析方法.实验数据表明,用核磁共振定量分析法与中国药典中提供的水溶性维生素分析法的分析结果十分吻合,可以达到药品市场监管的要求.%NMR quantitative analysis of drug is the method with simple operation and use just a few amount of samples. The method can accomplish the qualitative as well as the quantitative analysis simultaneously, and do not need any standard compound but only the common internal standard for the quantitative analysis. The analysis speed and the precision of the method is close to the HPLC method. In this paper, the results of determination for water-soluble vitamin by NMR quantitative analysis with chemical a nalysis have been compared . The experiment shows the results of the NMR quantitative analysis are coincident with the result of the chemical method. Therefore, the NMR quantitative analysis method can be used market regulation of drugs.

  15. Surface chemical composition analysis of heat-treated bamboo

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Fan-dan, E-mail: fandan_meng@163.com [MOE Key Laboratory of Wooden Material Science and Application, Beijing Forestry University, 35 Qinghua East Road, Haidian District, Beijing 100083 (China); Yu, Yang-lun, E-mail: yuyanglun@caf.ac.cn [Research Institute of Wood Industry, Chinese Academy of Forestry, No 1 Dongxiaofu, Haidian District, Beijing 100091 (China); Zhang, Ya-mei, E-mail: zhangyamei@caf.ac.cn [Research Institute of Wood Industry, Chinese Academy of Forestry, No 1 Dongxiaofu, Haidian District, Beijing 100091 (China); Yu, Wen-ji, E-mail: yuwenji@caf.ac.cn [Research Institute of Wood Industry, Chinese Academy of Forestry, No 1 Dongxiaofu, Haidian District, Beijing 100091 (China); Gao, Jian-min, E-mail: gaojm@bjfu.edu.cn [MOE Key Laboratory of Wooden Material Science and Application, Beijing Forestry University, 35 Qinghua East Road, Haidian District, Beijing 100083 (China)

    2016-05-15

    Highlights: • Investigate the detailed chemical components contents change of bamboo due to heating. • Chemical analysis of bamboo main components during heating. • Identify the connection between the oxygen to carbon atomic ratio changes and chemical degradation. - Abstract: In this study, the effect of heat treatment on the chemical composition of bamboo slivers was studied. The chemical properties of the samples were examined by chemical analysis. Results showed a decrease in the contents of holocellulose and α-cellulose, as well as an increase in the contents of lignin and extractives. Changes in the chemical structure of bamboo components were analyzed by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). FTIR spectroscopy results indicated that hemicellulose contents decrease, whereas lignin contents increase after heat treatment. Ester formation linked to lignin decreased the hygroscopicity of the bamboo samples and consequently improved their dimensional stability and durability. XPS spectroscopy results showed that hemicelluloses and celluloses are relatively more sensitive to the heating process than lignin. As a consequence, hemicellulose and cellulose contents decreased, whereas lignin contents increased during heat treatment. The results obtained in this study provide useful information for the future utilization of heat-treated bamboo.

  16. Software applications toward quantitative metabolic flux analysis and modeling.

    Science.gov (United States)

    Dandekar, Thomas; Fieselmann, Astrid; Majeed, Saman; Ahmed, Zeeshan

    2014-01-01

    Metabolites and their pathways are central for adaptation and survival. Metabolic modeling elucidates in silico all the possible flux pathways (flux balance analysis, FBA) and predicts the actual fluxes under a given situation, further refinement of these models is possible by including experimental isotopologue data. In this review, we initially introduce the key theoretical concepts and different analysis steps in the modeling process before comparing flux calculation and metabolite analysis programs such as C13, BioOpt, COBRA toolbox, Metatool, efmtool, FiatFlux, ReMatch, VANTED, iMAT and YANA. Their respective strengths and limitations are discussed and compared to alternative software. While data analysis of metabolites, calculation of metabolic fluxes, pathways and their condition-specific changes are all possible, we highlight the considerations that need to be taken into account before deciding on a specific software. Current challenges in the field include the computation of large-scale networks (in elementary mode analysis), regulatory interactions and detailed kinetics, and these are discussed in the light of powerful new approaches.

  17. Quantitative assessment of human motion using video motion analysis

    Science.gov (United States)

    Probe, John D.

    1993-01-01

    In the study of the dynamics and kinematics of the human body a wide variety of technologies has been developed. Photogrammetric techniques are well documented and are known to provide reliable positional data from recorded images. Often these techniques are used in conjunction with cinematography and videography for analysis of planar motion, and to a lesser degree three-dimensional motion. Cinematography has been the most widely used medium for movement analysis. Excessive operating costs and the lag time required for film development, coupled with recent advances in video technology, have allowed video based motion analysis systems to emerge as a cost effective method of collecting and analyzing human movement. The Anthropometric and Biomechanics Lab at Johnson Space Center utilizes the video based Ariel Performance Analysis System (APAS) to develop data on shirtsleeved and space-suited human performance in order to plan efficient on-orbit intravehicular and extravehicular activities. APAS is a fully integrated system of hardware and software for biomechanics and the analysis of human performance and generalized motion measurement. Major components of the complete system include the video system, the AT compatible computer, and the proprietary software.

  18. Quantitative analysis of some volatile components in Mimusops elengi L.

    Directory of Open Access Journals (Sweden)

    Chantana Aromdee

    2009-08-01

    Full Text Available Dried pikul flower (Mimusops elengi L., Sapotaceae is used in many recipes of Thai traditional medicine i.e. cardiotonic and stomachic. In this study, fresh and dried pikul flowers were investigated. The odour of pikul flower, even when it was dried, is very strong and characteristic. The constituents of volatile oils in fresh and dried pikul flowers extracted by ether were analysed by gas chromatography-mass spectrometry. 2-Phenylethanol, 4-hydroxybenzenemethanol and cinnamyl alcohol were mainly found in fresh flower, 10.49, 8.69 and 6.17%, respectively. Whereas those mainly found in dried flowers were long chain carboxylic acid ester and (Z-9-octadecenoic acid, 5.37 and 4.71% of ether extract, respectively.An analytical method simultaneously determining benzyl alcohol, 2-phenylethanol and methyl paraben was developed by using the GC-FID method. The percent recoveries were 91.66, 104.59 and 105.28%, respectively. The intraday variations(% RSD were 7.22, 6.67 and 1.86%; and the interday variation were 3.12, 2.52 and 3.55%, respectively. Detection limits were 0.005, 0.014 and 0.001 ppm, and quantitation limits were 0.015, 0.048 and 0.003 ppm, respectively. Benzyl alcohol, 2-phenylethanol and methyl paraben content of dried flowers (9 samples from various drug stores in Thailand and one sample from China were 6.40-13.46, 17.57-196.57 and 27.35-355.53 ppm, respectively.

  19. Quantitative spectroscopy for the analysis of GOME data

    Science.gov (United States)

    Chance, K.

    1997-01-01

    Accurate analysis of the global ozone monitoring experiment (GOME) data to obtain atmospheric constituents requires reliable, traceable spectroscopic parameters for atmospheric absorption and scattering. Results are summarized for research that includes: the re-determination of Rayleigh scattering cross sections and phase functions for the 200 nm to 1000 nm range; the analysis of solar spectra to obtain a high-resolution reference spectrum with excellent absolute vacuum wavelength calibration; Ring effect cross sections and phase functions determined directly from accurate molecular parameters of N2 and O2; O2 A band line intensities and pressure broadening coefficients; and the analysis of absolute accuracies for ultraviolet and visible absorption cross sections of O3 and other trace species measurable by GOME.

  20. Chemical fingerprint analysis of Gentianae Radix et Rhizoma by high-performance liquid chromatography

    Directory of Open Access Journals (Sweden)

    Baozhong Duan

    2012-02-01

    Full Text Available Gentianae Radix et Rhizoma (also called “Longdan” in Chinese is commonly used for eliminating damp-heat and quenching the fire of liver and gall bladder in traditional Chinese medicine. In this study, a novel and reliable method using high-performance liquid chromatography (HPLC was developed both for quantitative analysis of four bioactive compounds (loganic acid, swertiamarin, gentiopicroside and sweroside and chemical fingerprint analysis of “Longdan”. In quantitative analysis, four compounds showed good regressions (R2>0.9987 within the test ranges and the recovery of the method was in the range 97.61−102.49%. In fingerprint analysis, ten characteristic peaks were selected to evaluate the similarities of the crude drugs, and the HPLC chromatograms of twenty samples from different regions of China showed similar patterns. The results demonstrated that the combination of the quantitative and chromatographic fingerprint analyses offered an efficient way to evaluate the quality consistency of Gentianae Radix et Rhizoma.

  1. Arrays in biological and chemical analysis

    DEFF Research Database (Denmark)

    Christensen, Claus Bo Vöge

    2002-01-01

    Recently a dramatic change has happened for biological and biochemical analysis. Originally developed as an academic massive parallel screening tool, industry has caught the idea as well of performing all kinds of assays in the new format of microarrays. From food manufacturers over water supply...... plants to the omnipresent pharmaceutical industry, the buzz-word is bioarrays, attracting scientific funding and investor capital. Although only few commercial products are currently out in the research laboratorium, hospital clinic or at the local doctor, there are high expectations for arrays screening...... predispositions and following therapy, monitoring the amount of bacteria in food stuff, measuring the small signs from cardiac arrest before it happens, analysing the toxin level in a water sample (preferentially on-line) or deciphering the identity of an infecting bug. (C) 2002 Elsevier Science B.V. All rights...

  2. Quantitative analysis of natural resource management options at different scales

    NARCIS (Netherlands)

    Keulen, van H.

    2007-01-01

    Natural capital (land, water, air) consists of many resources, each with its own quality, dynamics and renewability, but with strong interactions. The increasing competition for the natural resources, especially land and water, calls for a basic redirection in the analysis of land use. In this paper

  3. Stochastic filtering of quantitative data from STR DNA analysis

    DEFF Research Database (Denmark)

    Tvedebrink, Torben; Eriksen, Poul Svante; Mogensen, Helle Smidt

    due to the apparatus used for measurements). Pull-up effects (more systematic increase caused by overlap in the spectrum) Stutters (peaks located four basepairs before the true peak). We present filtering techniques for all three technical artifacts based on statistical analysis of data from...

  4. A quantitative method for Failure Mode and Effects Analysis

    NARCIS (Netherlands)

    Braaksma, A.J.J.; Meesters, A.J.; Klingenberg, W.; Hicks, C.

    2012-01-01

    Failure Mode and Effects Analysis (FMEA) is commonly used for designing maintenance routines by analysing potential failures, predicting their effect and facilitating preventive action. It is used to make decisions on operational and capital expenditure. The literature has reported that despite its

  5. Automatic quantitative analysis of cardiac MR perfusion images

    NARCIS (Netherlands)

    Breeuwer, Marcel; Spreeuwers, Luuk; Quist, Marcel

    2001-01-01

    Magnetic Resonance Imaging (MRI) is a powerful technique for imaging cardiovascular diseases. The introduction of cardiovascular MRI into clinical practice is however hampered by the lack of efficient and accurate image analysis methods. This paper focuses on the evaluation of blood perfusion in the

  6. Quantitative analysis of overlapping XPS peaks by spectrum reconstruction

    DEFF Research Database (Denmark)

    Graat, Peter C.J.; Somers, Marcel A. J.

    1998-01-01

    parameters. The values obtained for the oxide film thickness were compared with thickness values determined from the intensity of the corresponding O 1s spectra and with thickness values resulting from ellipsometric analysis. The sensitivity of the reconstruction procedure with regard to film thickness...

  7. Advancing genetic theory and application by metabolic quantitative trait loci analysis.

    Science.gov (United States)

    Kliebenstein, Danielj

    2009-06-01

    This review describes recent advances in the analysis of metabolism using quantitative genetics. It focuses on how recent metabolic quantitative trait loci (QTL) studies enhance our understanding of the genetic architecture underlying naturally variable phenotypes and the impact of this fundamental research on agriculture, specifically crop breeding. In particular, the role of whole-genome duplications in generating quantitative genetic variation within a species is highlighted and the potential uses of this phenomenon presented. Additionally, the review describes how new observations from metabolic QTL mapping analyses are helping to shape and expand the concepts of genetic epistasis.

  8. Appendix C. Collection of Samples for Chemical Agent Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Koester, C; Thompson, C; Doerr, T; Scripsick, R

    2005-09-23

    This chapter describes procedures for the collection and analysis of samples of various matrices for the purpose of determining the presence of chemical agents in a civilian setting. This appendix is intended to provide the reader with sufficient information to make informed decisions about the sampling and analysis process and to suggest analytical strategies that might be implemented by the scientists performing sampling and analysis. This appendix is not intended to be used as a standard operating procedure to provide detailed instructions as to how trained scientists should handle samples. Chemical agents can be classified by their physical and chemical properties. Table 1 lists the chemical agents considered by this report. In selecting sampling and analysis methods, we have considered procedures proposed by the Organization for Prohibition of Chemical Weapons (OPCW), the U. S. Environmental Protection Agency (EPA), and peer-reviewed scientific literature. EPA analytical methods are good resources describing issues of quality assurance with respect to chain-of-custody, sample handling, and quality control requirements.

  9. The Impact of Remittances on Human Development: A Quantitative Analysis and Policy Implications.

    OpenAIRE

    Üstübici, Ayşen; Irdam, Darja

    2012-01-01

    Abstract: This paper contributes to the discussions on the nexus between migration and development by assessing the effects of remittances on human development. We do so first through a quantitative approach, and second, by elaborating the findings of our quantitative analysis within a broader theoretical and policy framework. By using OLS, we measure the impact of remittances on human development and compare it with the effect of foreign direct investment (FDI) and official development assis...

  10. Quantitative analysis of organic additive content in a polymer by ToF-SIMS with PCA

    Science.gov (United States)

    Ito, Hidemi; Kono, Teiichiro

    2008-12-01

    Quantitative analysis of organic materials by ToF-SIMS is intrinsically difficult because of their tendency to decompose under ion irradiation. In this study, we applied principal component analysis (PCA) as a means of compensation for the spectral degradation caused by this decomposition and thus improve the accuracy of the quantitative analysis, using as models two organic additives of quite different composition and vulnerability to decomposition under ion irradiation, in polystyrene. This enables the extraction of a principal component related to their content that is independent of the decomposition. The effectiveness of this approach in quantitative analysis of organic additives content in polymers without loss in accuracy due to spectral degradation will be discussed.

  11. Quantitative Safety and Security Analysis from a Communication Perspective

    Directory of Open Access Journals (Sweden)

    Boris Malinowsky

    2015-12-01

    Full Text Available This paper introduces and exemplifies a trade-off analysis of safety and security properties in distributed systems. The aim is to support analysis for real-time communication and authentication building blocks in a wireless communication scenario. By embedding an authentication scheme into a real-time communication protocol for safety-critical scenarios, we can rely on the protocol’s individual safety and security properties. The resulting communication protocol satisfies selected safety and security properties for deployment in safety-critical use-case scenarios with security requirements. We look at handover situations in a IEEE 802.11 wireless setup between mobile nodes and access points. The trade-offs involve application-layer data goodput, probability of completed handovers, and effect on usable protocol slots, to quantify the impact of security from a lower-layer communication perspective on the communication protocols. The results are obtained using the network simulator ns-3.

  12. Quantitative Safety and Security Analysis from a Communication Perspective

    DEFF Research Database (Denmark)

    Malinowsky, Boris; Schwefel, Hans-Peter; Jung, Oliver

    2014-01-01

    This paper introduces and exemplifies a trade-off analysis of safety and security properties in distributed systems. The aim is to support analysis for real-time communication and authentication building blocks in a wireless communication scenario. By embedding an authentication scheme into a real......-time communication protocol for safety-critical scenarios, we can rely on the protocol’s individual safety and security properties. The resulting communication protocol satisfies selected safety and security properties for deployment in safety-critical use-case scenarios with security requirements. We look...... at handover situations in a IEEE 802.11 wireless setup between mobile nodes and access points. The trade-offs involve application-layer data goodput, probability of completed handovers, and effect on usable protocol slots, to quantify the impact of security from a lower-layer communication perspective...

  13. African Primary Care Research: quantitative analysis and presentation of results.

    Science.gov (United States)

    Mash, Bob; Ogunbanjo, Gboyega A

    2014-06-06

    This article is part of a series on Primary Care Research Methods. The article describes types of continuous and categorical data, how to capture data in a spreadsheet, how to use descriptive and inferential statistics and, finally, gives advice on how to present the results in text, figures and tables. The article intends to help Master's level students with writing the data analysis section of their research proposal and presenting their results in their final research report.

  14. African Primary Care Research: Quantitative analysis and presentation of results

    Directory of Open Access Journals (Sweden)

    Bob Mash

    2014-01-01

    Full Text Available This article is part of a series on Primary Care Research Methods. The article describes types of continuous and categorical data, how to capture data in a spreadsheet, how to use descriptive and inferential statistics and, finally, gives advice on how to present the results in text, figures and tables. The article intends to help Master’s level students with writing the data analysis section of their research proposal and presenting their results in their final research report.

  15. Quantitative Indicators for Defense Analysis. Volume II. Technical Report

    Science.gov (United States)

    1975-06-01

    34*"WTOiw«* piB ^ r- ••’ ’ ’■’.WH""" - "«.JH QUAURANT II Hot War JIoL ]War land i Cold I |Criscs War iThreaten ed - Crisis 1...34The Political Analysis of Negotiations," World Politics 26. 3 (April). ^(1971) The Politics of Trade Negotiations Between Africa and the EEC

  16. The Measles Vaccination Narrative in Twitter: A Quantitative Analysis

    OpenAIRE

    Radzikowski, Jacek; Stefanidis, Anthony; Jacobsen, Kathryn H; Croitoru, Arie; Crooks, Andrew; Delamater, Paul L

    2016-01-01

    Background The emergence of social media is providing an alternative avenue for information exchange and opinion formation on health-related issues. Collective discourse in such media leads to the formation of a complex narrative, conveying public views and perceptions. Objective This paper presents a study of Twitter narrative regarding vaccination in the aftermath of the 2015 measles outbreak, both in terms of its cyber and physical characteristics. We aimed to contribute to the analysis of...

  17. Quantitative analysis of access strategies to remoteinformation in network services

    DEFF Research Database (Denmark)

    Olsen, Rasmus Løvenstein; Schwefel, Hans-Peter; Hansen, Martin Bøgsted

    2006-01-01

    Remote access to dynamically changing information elements is a required functionality for various network services, including routing and instances of context-sensitive networking. Three fundamentally different strategies for such access are investigated in this paper: (1) a reactive approach......, network delay characterization) and specific requirements on mismatch probability, traffic overhead, and access delay. Finally, the analysis is applied to the use-case of context-sensitive service discovery....

  18. A review of chemical gradient systems for cell analysis.

    Science.gov (United States)

    Somaweera, Himali; Ibraguimov, Akif; Pappas, Dimitri

    2016-02-11

    Microfluidic spatial and temporal gradient generators have played an important role in many biological assays such as in the analysis of wound healing, inflammation, and cancer metastasis. Chemical gradient systems can also be applied to other fields such as drug design, chemical synthesis, chemotaxis, etc. Microfluidic systems are particularly amenable to gradient formation, as the length scales used in chips enable fluid processes that cannot be conducted in bulk scale. In this review we discuss new microfluidic devices for gradient generation and applications of those systems in cell analysis.

  19. Kinetic Analysis of Amylase Using Quantitative Benedict's and Iodine Starch Reagents

    Science.gov (United States)

    Cochran, Beverly; Lunday, Deborah; Miskevich, Frank

    2008-01-01

    Quantitative analysis of carbohydrates is a fundamental analytical tool used in many aspects of biology and chemistry. We have adapted a technique developed by Mathews et al. using an inexpensive scanner and open-source image analysis software to quantify amylase activity using both the breakdown of starch and the appearance of glucose. Breakdown…

  20. [Quantitative image analysis in pulmonary pathology - digitalization of preneoplastic lesions in human bronchial epithelium (author's transl)].

    Science.gov (United States)

    Steinbach, T; Müller, K M; Kämper, H

    1979-01-01

    The report concerns the first phase of a quantitative study of normal and abnormal bronchial epithelium with the objective of establishing the digitalization of histologic patterns. Preparative methods, data collecting and handling, and further mathematical analysis are described. In cluster and discriminatory analysis the digitalized histologic features can be used to separate and classify the individual cases into the respective diagnostic groups.

  1. Quantitative image analysis for the detection of motion artefacts in coronary artery computed tomography

    NARCIS (Netherlands)

    Kristanto, Wisnumurti; van Ooijen, Peter M.; Dikkers, Riksta; Greuter, Marcel J.; Zijlstra, Felix; Oudkerk, Matthijs

    2010-01-01

    Multi detector-row CT (MDCT), the current preferred method for coronary artery disease assessment, is still affected by motion artefacts. To rule out motion artefacts, qualitative image analysis is usually performed. Our study aimed to develop a quantitative image analysis for motion artefacts detec

  2. Quantitative analysis by synchrotron radiation induced X-ray fluorescence at lure

    Science.gov (United States)

    Chevallier, P.; Brissaud, I.; Wang, J. X.

    1990-04-01

    The main features that makes synchrotron radiation an ideal source for X-ray fluorescence analysis are emphasized. Examples of quantitative analysis are given and a new type of spectrometer taking advantage of the focusing properties of a flat mosaic crystal and a position sensitive detector is described.

  3. Three-way methods for the analysis of qualitative and quantitative two-way data.

    NARCIS (Netherlands)

    Kiers, Hendrik Albert Lambertus

    1989-01-01

    A problem often occurring in exploratory data analysis is how to summarize large numbers of variables in terms of a smaller number of dimensions. When the variables are quantitative, one may resort to Principal Components Analysis (PCA). When qualitative (categorical) variables are involved, one may

  4. A suite of models to support the quantitative assessment of spread in pest risk analysis

    NARCIS (Netherlands)

    Robinet, C.; Kehlenbeck, H.; Werf, van der W.

    2012-01-01

    In the frame of the EU project PRATIQUE (KBBE-2007-212459 Enhancements of pest risk analysis techniques) a suite of models was developed to support the quantitative assessment of spread in pest risk analysis. This dataset contains the model codes (R language) for the four models in the suite. Three

  5. Digitally Enhanced Thin-Layer Chromatography: An Inexpensive, New Technique for Qualitative and Quantitative Analysis

    Science.gov (United States)

    Hess, Amber Victoria Irish

    2007-01-01

    A study conducted shows that if digital photography is combined with regular thin-layer chromatography (TLC), it could perform highly improved qualitative analysis as well as make accurate quantitative analysis possible for a much lower cost than commercial equipment. The findings suggest that digitally enhanced TLC (DE-TLC) is low-cost and easy…

  6. THE INFLUENCE OF SELECTING RECEIVING SLITSAND USING RANDOMLY ORIENTED STANDARD SAMPLESON QUANTITATIVE TEXTURE ANALYSIS

    Institute of Scientific and Technical Information of China (English)

    刘毓舒

    2001-01-01

    The influence of the selection of receiving slits and the use of standard samples with random orientation on the result of quantitative texture analysis was tested and discussed. The result proves that it will improve the precision of the analysis to use proper slits and a randomly oriented standard sample. A simple method was given to interpolate the correction curves of random intensities.

  7. A Quantitative Analysis of the Extrinsic and Intrinsic Turnover Factors of Relational Database Support Professionals

    Science.gov (United States)

    Takusi, Gabriel Samuto

    2010-01-01

    This quantitative analysis explored the intrinsic and extrinsic turnover factors of relational database support specialists. Two hundred and nine relational database support specialists were surveyed for this research. The research was conducted based on Hackman and Oldham's (1980) Job Diagnostic Survey. Regression analysis and a univariate ANOVA…

  8. Revisiting the quantitative features of surface-assisted laser desorption/ionization mass spectrometric analysis.

    Science.gov (United States)

    Wu, Ching-Yi; Lee, Kai-Chieh; Kuo, Yen-Ling; Chen, Yu-Chie

    2016-10-28

    Surface-assisted laser desorption/ionization (SALDI) coupled with mass spectrometry (MS) is frequently used to analyse small organics owing to its clean background. Inorganic materials can be used as energy absorbers and the transfer medium to facilitate the desorption/ionization of analytes; thus, they are used as SALDI-assisting materials. Many studies have demonstrated the usefulness of SALDI-MS in quantitative analysis of small organics. However, some characteristics occurring in SALDI-MS require certain attention to ensure the reliability of the quantitative analysis results. The appearance of a coffee-ring effect in SALDI sample preparation is the primary factor that can affect quantitative SALDI-MS analysis results. However, to the best of our knowledge, there are no reports relating to quantitative SALDI-MS analysis that discuss or consider this effect. In this study, the coffee-ring effect is discussed using nanoparticles and nanostructured substrates as SALDI-assisting materials to show how this effect influences SALDI-MS analysis results. Potential solutions for overcoming the existing problems are also suggested.This article is part of the themed issue 'Quantitative mass spectrometry'.

  9. [Study on the multivariate quantitative analysis method for steel alloy elements using LIBS].

    Science.gov (United States)

    Gu, Yan-hong; Li, Ying; Tian, Ye; Lu, Yuan

    2014-08-01

    Quantitative analysis of steel alloys was carried out using laser induced breakdown spectroscopy (LIBS) taking into account the complex matrix effects in steel alloy samples. The laser induced plasma was generated by a Q-switched Nd:YAG laser operating at 1064 nm with pulse width of 10 ns and repeated frequency of 10 Hz. The LIBS signal was coupled to the echelle spectrometer and recorded by a high sensitive ICCD detector. To get the best experimental conditions, some parameters, such as the detection delay, the CCDs integral gate width and the detecting position from the sample surface, were optimized. The experimental results showed that the optimum detection delay time was 1.5 micros, the optimal CCDs integral gate width was 2 micros and the best detecting position was 1.5 mm below the alloy sample's surface. The samples used in the experiments are ten standard steel alloy samples and two unknown steel alloy samples. The quantitative analysis was investigated with the optimum experimental parameters. Elements Cr and Ni in steel alloy samples were taken as the detection targets. The analysis was carried out with the methods based on conditional univariate quantitative analysis, multiple linear regression and partial least squares (PLS) respectively. It turned out that the correlation coefficients of calibration curves are not very high in the conditional univariate calibration method. The analysis results were obtained with the unsatisfied relative errors for the two predicted samples. So the con- ditional univariate quantitative analysis method can't effectively serve the quantitative analysis purpose for multi-components and complex matrix steel alloy samples. And with multiple linear regression method, the analysis accuracy was improved effectively. The method based on partial least squares (PLS) turned out to be the best method among all the three quantitative analysis methods applied. Based on PLS, the correlation coefficient of calibration curve for Cr is 0

  10. Quality assurance and quantitative error analysis by tracer techniques

    Energy Technology Data Exchange (ETDEWEB)

    Schuetze, N.; Hermann, U.

    1983-12-01

    The locations, types and sources of casting defects have been tested by tracer techniques. Certain sites of moulds were labelled using /sup 199/Au, /sup 24/Na sodium carbonate solution, and technetium solution produced in the technetium generator on a /sup 99/Mo//sup 99/Tc elution column. Evaluations were made by means of activity measurements and autoradiography. The locations and causes of casting defects can be determined by error analysis. The surface defects of castings resulting from the moulding materials and from the blacking can be detected by technetium, the subsurface defects are located by gold.

  11. Spine curve modeling for quantitative analysis of spinal curvature.

    Science.gov (United States)

    Hay, Ori; Hershkovitz, Israel; Rivlin, Ehud

    2009-01-01

    Spine curvature and posture are important to sustain healthy back. Incorrect spine configuration can add strain to muscles and put stress on the spine, leading to low back pain (LBP). We propose new method for analyzing spine curvature in 3D, using CT imaging. The proposed method is based on two novel concepts: the spine curvature is derived from spinal canal centerline, and evaluation of the curve is carried out against a model based on healthy individuals. We show results of curvature analysis of healthy population, pathological (scoliosis) patients, and patients having nonspecific chronic LBP.

  12. Quantitative risk analysis in two pipelines operated by TRANSPETRO

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Claudio B. [PETROBRAS Transporte S/A (TRANSPETRO), Rio de Janeiro, RJ (Brazil); Pinho, Edson [Universidade Federal Rural do Rio de Janeiro (UFRRJ), Seropedica, RJ (Brazil); Bittencourt, Euclides [Centro Universitario FIB, Salvador , BA (Brazil)

    2009-07-01

    Transportation risk analysis techniques were used to study two pipelines operated by TRANSPETRO. The Pipeline A is for the simultaneous transportation of diesel, gasoline and LPG and comprises three parts, all of them crossing rural areas. The Pipeline B is for oil transportation and one of its ends is located in an area of a high density population. Both pipelines had their risk studied using the PHAST RISK{sup R} software and the individual risk measures, the only considered measures for license purposes for this type of studies, presented level far below the maximum tolerable levels considered. (author)

  13. Advancements in mass spectrometry for biological samples: Protein chemical cross-linking and metabolite analysis of plant tissues

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Adam [Iowa State Univ., Ames, IA (United States)

    2015-01-01

    This thesis presents work on advancements and applications of methodology for the analysis of biological samples using mass spectrometry. Included in this work are improvements to chemical cross-linking mass spectrometry (CXMS) for the study of protein structures and mass spectrometry imaging and quantitative analysis to study plant metabolites. Applications include using matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI) to further explore metabolic heterogeneity in plant tissues and chemical interactions at the interface between plants and pests. Additional work was focused on developing liquid chromatography-mass spectrometry (LC-MS) methods to investigate metabolites associated with plant-pest interactions.

  14. Quantitative analysis of total retronecine esters-type pyrrolizidine alkaloids in plant by high performance liquid chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Fang; Wang Changhong; Xiong Aizhen; Wang Wan; Yang Li [Key Laboratory of Standardization of Chinese Medicines of Ministry of Education, Shanghai University of Traditional Chinese Medicine, 1200 Cai Lun Road, Zhangjiang Hi-Tech Park, Shanghai 201203 (China); Branford-White, Christopher J. [Institute for Health Research and Policy, London Metropolitan University, 166-220 Holloway Road, London N7 8DB (United Kingdom); Wang Zhengtao [Key Laboratory of Standardization of Chinese Medicines of Ministry of Education, Shanghai University of Traditional Chinese Medicine, 1200 Cai Lun Road, Zhangjiang Hi-Tech Park, Shanghai 201203 (China); School of Chinese Pharmacy, China Pharmaceutical University, Nanjing 210038 (China)], E-mail: wangzt@shutcm.edu.cn; Bligh, S.W. Annie [Institute for Health Research and Policy, London Metropolitan University, 166-220 Holloway Road, London N7 8DB (United Kingdom)], E-mail: a.bligh@londonmet.ac.uk

    2007-12-12

    Pyrrolizidine alkaloids (PAs) are alkaloids which typically contain a necine (7-hydroxy-1-hydroxymethyl-6,7-dihydro-5H-pyrrolizidine) base unit, and they can be found in one third of the higher plants around the world. They are hepatotoxic, mutagenic and carcinogenic and pose a threat to human health and safety. A specific, quick and sensitive method is therefore needed to detect and quantify the PAs sometimes in trace amount in herbs, tea or food products. Based on high performance liquid chromatography with prior derivatization of the alkaloids using o-chloranil and Ehrlich's reagent, we report an improved method for quantitative analysis of the total amount of retronecine esters-type pyrrolizidine alkaloids (RET-PAs) in a plant extract. The total quantitation of RET-PAs is achieved because of a common colored retronecine marker, a 7-ethoxy-1-ethoxylmethyl retronecine derivative, is produced with all the different RET-PAs during the derivatization reaction. The chemical identity of the common retronecine marker was characterized on-line by positive mode electrospray ionization mass spectrometry and nuclear magnetic resonance spectroscopy. The limit of detection using the improved method is 0.26 nmol mL{sup -1} and the limit of quantitation is 0.79 nmol mL{sup -1}. The advantages of this method are much enhanced sensitivity in detection and quantitation, and, no restriction on the choice of RET-PA as a calibration standard. Application of the developed method to the quantitation of total RET esters-type PAs in Senecio scandens from different regions of China is also reported.

  15. ANALYSIS OF SAMPLES FROM TANK 5F CHEMICAL CLEANING

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, M.; Fink, S.

    2011-03-07

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

  16. Quantitative Computed Tomography and image analysis for advanced muscle assessment

    Directory of Open Access Journals (Sweden)

    Kyle Joseph Edmunds

    2016-06-01

    Full Text Available Medical imaging is of particular interest in the field of translational myology, as extant literature describes the utilization of a wide variety of techniques to non-invasively recapitulate and quantity various internal and external tissue morphologies. In the clinical context, medical imaging remains a vital tool for diagnostics and investigative assessment. This review outlines the results from several investigations on the use of computed tomography (CT and image analysis techniques to assess muscle conditions and degenerative process due to aging or pathological conditions. Herein, we detail the acquisition of spiral CT images and the use of advanced image analysis tools to characterize muscles in 2D and 3D. Results from these studies recapitulate changes in tissue composition within muscles, as visualized by the association of tissue types to specified Hounsfield Unit (HU values for fat, loose connective tissue or atrophic muscle, and normal muscle, including fascia and tendon. We show how results from these analyses can be presented as both average HU values and compositions with respect to total muscle volumes, demonstrating the reliability of these tools to monitor, assess and characterize muscle degeneration.

  17. THE ANALYSIS OF CORRUPTION IN PUBLIC ADMINISTRATION - A QUANTITATIVE METHOD

    Directory of Open Access Journals (Sweden)

    Tudorel ANDREI

    2010-06-01

    Full Text Available This paper aims to examine, starting from Romania case, the degree in which decentralization process and improvement of local governance contributes to reduction of corruption on short and medium term. Through the used methodology, the paper is in line with the international trend that aims to analyze the impact of corruption on economical and social processes at the local level. For corruption analysis we used a simple dichotomist logistical model. From the obtained results, at one hand – descriptive analysis, on the other hand – the logistical model, there are some action to be undertaken for reduction the corruption level at local public administration like intensifying the reform process at local public administration level on three important components regarding civil service, decentralization process and improving the public policy formulation process, elaborating a long term strategy and a specific law on civil servant payment system, intensifying the continuous training courses for local electives, fluctuation reduction of technical apparatus from city halls as result of political changes, continuous training courses for mayors.

  18. Quantitative phosphoproteomic analysis of prion-infected neuronal cells

    Directory of Open Access Journals (Sweden)

    Löwer Johannes

    2010-09-01

    Full Text Available Abstract Prion diseases or transmissible spongiform encephalopathies (TSEs are fatal diseases associated with the conversion of the cellular prion protein (PrPC to the abnormal prion protein (PrPSc. Since the molecular mechanisms in pathogenesis are widely unclear, we analyzed the global phospho-proteome and detected a differential pattern of tyrosine- and threonine phosphorylated proteins in PrPSc-replicating and pentosan polysulfate (PPS-rescued N2a cells in two-dimensional gel electrophoresis. To quantify phosphorylated proteins, we performed a SILAC (stable isotope labeling by amino acids in cell culture analysis and identified 105 proteins, which showed a regulated phosphorylation upon PrPSc infection. Among those proteins, we validated the dephosphorylation of stathmin and Cdc2 and the induced phosphorylation of cofilin in PrPSc-infected N2a cells in Western blot analyses. Our analysis showed for the first time a differentially regulated phospho-proteome in PrPSc infection, which could contribute to the establishment of novel protein markers and to the development of novel therapeutic intervention strategies in targeting prion-associated disease.

  19. MATING DESIGNS: HELPFUL TOOL FOR QUANTITATIVE PLANT BREEDING ANALYSIS

    Directory of Open Access Journals (Sweden)

    Athanase Nduwumuremyi

    2013-12-01

    Full Text Available Selection of parental materials and good mating designs in conventional plant breeding are the keys to the successful plant breeding programme. However, there are several factors affecting the choices of mating designs. Mating design refers to the procedure of producing the progenies, in plant breeding, plant breeders and geneticists, theoretically and practically, they use different form of mating designs and arrangements for targeted purpose. The choice of a mating design for estimating genetic variances should be dictated by the objectives of the study, time, space, cost and other biological limitations. In all mating designs, the individuals are taken randomly and crossed to produce progenies which are related to each other as half-sibs or full-sibs. A form of multivariate analysis or the analysis of variance can be adopted to estimate the components of variances. Therefore, this review aimed at highlighting the most used mating design in plant breeding and genetics studies. It provides easy and quick insight of the different form of mating designs and some statistical components for successful plant breeding.

  20. Surface chemical composition analysis of heat-treated bamboo

    Science.gov (United States)

    Meng, Fan-dan; Yu, Yang-lun; Zhang, Ya-mei; Yu, Wen-ji; Gao, Jian-min

    2016-05-01

    In this study, the effect of heat treatment on the chemical composition of bamboo slivers was studied. The chemical properties of the samples were examined by chemical analysis. Results showed a decrease in the contents of holocellulose and α-cellulose, as well as an increase in the contents of lignin and extractives. Changes in the chemical structure of bamboo components were analyzed by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). FTIR spectroscopy results indicated that hemicellulose contents decrease, whereas lignin contents increase after heat treatment. Ester formation linked to lignin decreased the hygroscopicity of the bamboo samples and consequently improved their dimensional stability and durability. XPS spectroscopy results showed that hemicelluloses and celluloses are relatively more sensitive to the heating process than lignin. As a consequence, hemicellulose and cellulose contents decreased, whereas lignin contents increased during heat treatment. The results obtained in this study provide useful information for the future utilization of heat-treated bamboo.

  1. Gradient Bundle Analysis: A Full Topological Approach to Chemical Bonding

    CERN Document Server

    Morgenstern, Amanda

    2016-01-01

    The "chemical bond" is a central concept in molecular sciences, but there is no consensus as to what a bond actually is. Therefore, a variety of bonding models have been developed, each defining the structure of molecules in a different manner with the goal of explaining and predicting chemical properties. This thesis describes the initial development of gradient bundle analysis (GBA), a chemical bonding model that creates a high resolution picture of chemical interactions within the charge density framework. GBA is based on concepts from the quantum theory of atoms in molecules (QTAIM), but uses a more complete picture of the topology and geometry of the electron charge density to understand and predict bonding interactions. Gradient bundles are defined as volumes bounded by zero-flux surfaces (ZFSs) in the gradient of the charge density with well-defined energies. The structure of gradient bundles provides an avenue for detecting the locations of valence electrons, which correspond to reactive regions in a ...

  2. [Quantitative analysis of seven phenolic acids in eight Yinqiao Jiedu serial preparations by quantitative analysis of multi-components with single-marker].

    Science.gov (United States)

    Wang, Jun-jun; Zhang, Li; Guo, Qing; Kou, Jun-ping; Yu, Bo-yang; Gu, Dan-hua

    2015-04-01

    The study aims to develop a unified method to determine seven phenolic acids (neochlorogenic acid, chlorogenic acid, 4-caffeoylquinic acid, caffeic acid, isochlorogenic acid B, isochlorogenic acid A and isochlorogenic acid C) contained in honeysuckle flower that is the monarch drug of all the eight Yinqiao Jiedu serial preparations using quantitative analysis of multi-components by single-marker (QAMS). Firstly, chlorogenic acid was used as a reference to get the average relative correction factors (RCFs) of the other phenolic acids in ratios to the reference; columns and instruments from different companies were used to validate the durability of the achieved RCFs in different levels of standard solutions; and honeysuckle flower extract was used as the reference substance to fix the positions of chromatographic peaks. Secondly, the contents of seven phenolic acids in eight different Yinqiao Jiedu serial preparations samples were calculated based on the RCFs durability. Finally, the quantitative results were compared between QAMS and the external standard (ES) method. The results have showed that the durability of the achieved RCFs is good (RSD during 0.80% - 2.56%), and there are no differences between the quantitative results of QAMS and ES (the relative average deviation quantitative control of honeysuckle flower principally prescribed in Yinqiao Jiedu serial preparations.

  3. Quantitative Analysis of Bloggers Collective Behavior Powered by Emotions

    CERN Document Server

    Mitrović, Marija; Tadić, Bosiljka

    2010-01-01

    Large-scale data resulting from users online interactions provide the ultimate source of information to study emergent social phenomena on the Web. From individual actions of users to observable collective behaviors, different mechanisms involving emotions expressed in the posted text play a role. Here we combine approaches of statistical physics with machine-learning methods of text analysis to study emergence of the emotional behavior among Web users. Mapping the high-resolution data from digg.com onto bipartite network of users and their comments onto posted stories, we identify user communities centered around certain popular posts and determine emotional contents of the related comments by the emotion-classifier developed for this type of texts. Applied over different time periods, this framework reveals strong correlations between the excess of negative emotions and the evolution of communities. We observe avalanches of emotional comments exhibiting significant self-organized critical behavior and tempo...

  4. Quantitative Analysis of Spectral Impacts on Silicon Photodiode Radiometers: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Myers, D. R.

    2011-04-01

    Inexpensive broadband pyranometers with silicon photodiode detectors have a non-uniform spectral response over the spectral range of 300-1100 nm. The response region includes only about 70% to 75% of the total energy in the terrestrial solar spectral distribution from 300 nm to 4000 nm. The solar spectrum constantly changes with solar position and atmospheric conditions. Relative spectral distributions of diffuse hemispherical irradiance sky radiation and total global hemispherical irradiance are drastically different. This analysis convolves a typical photodiode response with SMARTS 2.9.5 spectral model spectra for different sites and atmospheric conditions. Differences in solar component spectra lead to differences on the order of 2% in global hemispherical and 5% or more in diffuse hemispherical irradiances from silicon radiometers. The result is that errors of more than 7% can occur in the computation of direct normal irradiance from global hemispherical irradiance and diffuse hemispherical irradiance using these radiometers.

  5. Quantitative real-time single particle analysis of virions.

    Science.gov (United States)

    Heider, Susanne; Metzner, Christoph

    2014-08-01

    Providing information about single virus particles has for a long time been mainly the domain of electron microscopy. More recently, technologies have been developed-or adapted from other fields, such as nanotechnology-to allow for the real-time quantification of physical virion particles, while supplying additional information such as particle diameter concomitantly. These technologies have progressed to the stage of commercialization increasing the speed of viral titer measurements from hours to minutes, thus providing a significant advantage for many aspects of virology research and biotechnology applications. Additional advantages lie in the broad spectrum of virus species that may be measured and the possibility to determine the ratio of infectious to total particles. A series of disadvantages remain associated with these technologies, such as a low specificity for viral particles. In this review we will discuss these technologies by comparing four systems for real-time single virus particle analysis and quantification.

  6. QUANTITATIVE ANALYSIS OF BANDED STRUCTURES IN DUAL-PHASE STEELS

    Directory of Open Access Journals (Sweden)

    Benoit Krebs

    2011-05-01

    Full Text Available Dual-Phase (DP steels are composed of martensite islands dispersed in a ductile ferrite matrix, which provides a good balance between strength and ductility. Current processing conditions (continuous casting followed by hot and cold rolling generate 'banded structures' i.e., irregular, parallel and alternating bands of ferrite and martensite, which are detrimental to mechanical properties and especially for in-use properties. We present an original and simple method to quantify the intensity and wavelength of these bands. This method, based on the analysis of covariance function of binary images, is firstly tested on model images. It is compared with ASTM E-1268 standard and appears to be more robust. Then it is applied on real DP steel microstructures and proves to be sufficiently sensitive to discriminate samples resulting from different thermo-mechanical routes.

  7. Global tractography with embedded anatomical priors for quantitative connectivity analysis

    Directory of Open Access Journals (Sweden)

    Alia eLemkaddem

    2014-11-01

    Full Text Available The main assumption of fiber-tracking algorithms is that fiber trajectories are represented by paths of highest diffusion, which is usually accomplished by following the principal diffusion directions estimated in every voxel from the measured diffusion MRI data. The state-of-the-art approaches, known as global tractography, reconstruct all the fiber tracts of the whole brain simultaneously by solving a global energy minimization problem. The tractograms obtained with these algorithms outperform any previous technique but, unfortunately, the price to pay is an increased computational cost which is not suitable in many practical settings, both in terms of time and memory requirements. Furthermore, existing global tractography algorithms suffer from an important shortcoming that is crucial in the context of brain connectivity analyses. As no anatomical priors are used during in the reconstruction process, the recovered fiber tracts are not guaranteed to connect cortical regions and, as a matter of fact, most of them stop prematurely in the white matter. This does not only unnecessarily slow down the estimation procedure and potentially biases any subsequent analysis but also, most importantly, prevents the de facto quantification of brain connectivity. In this work, we propose a novel approach for global tractography that is specifically designed for connectivity analysis applications by explicitly enforcing anatomical priors of the tracts in the optimization and considering the effective contribution of each of them, i.e. volume, to the acquired diffusion MRI image. We evaluated our approach on both a realistic diffusion MRI phantom and in-vivo data, and also compared its performance to existing tractography aloprithms.

  8. Reliable Quantitative SERS Analysis Facilitated by Core-Shell Nanoparticles with Embedded Internal Standards.

    Science.gov (United States)

    Shen, Wei; Lin, Xuan; Jiang, Chaoyang; Li, Chaoyu; Lin, Haixin; Huang, Jingtao; Wang, Shuo; Liu, Guokun; Yan, Xiaomei; Zhong, Qiling; Ren, Bin

    2015-06-15

    Quantitative analysis is a great challenge in surface-enhanced Raman scattering (SERS). Core-molecule-shell nanoparticles with two components in the molecular layer, a framework molecule to form the shell, and a probe molecule as a Raman internal standard, were rationally designed for quantitative SERS analysis. The signal of the embedded Raman probe provides effective feedback to correct the fluctuation of samples and measuring conditions. Meanwhile, target molecules with different affinities can be adsorbed onto the shell. The quantitative analysis of target molecules over a large concentration range has been demonstrated with a linear response of the relative SERS intensity versus the surface coverage, which has not been achieved by conventional SERS methods.

  9. Computational singular perturbation analysis of stochastic chemical systems with stiffness

    Science.gov (United States)

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

    2017-04-01

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

  10. LSENS - GENERAL CHEMICAL KINETICS AND SENSITIVITY ANALYSIS CODE

    Science.gov (United States)

    Bittker, D. A.

    1994-01-01

    LSENS has been developed for solving complex, homogeneous, gas-phase, chemical kinetics problems. The motivation for the development of this program is the continuing interest in developing detailed chemical reaction mechanisms for complex reactions such as the combustion of fuels and pollutant formation and destruction. A reaction mechanism is the set of all elementary chemical reactions that are required to describe the process of interest. Mathematical descriptions of chemical kinetics problems constitute sets of coupled, nonlinear, first-order ordinary differential equations (ODEs). The number of ODEs can be very large because of the numerous chemical species involved in the reaction mechanism. Further complicating the situation are the many simultaneous reactions needed to describe the chemical kinetics of practical fuels. For example, the mechanism describing the oxidation of the simplest hydrocarbon fuel, methane, involves over 25 species participating in nearly 100 elementary reaction steps. Validating a chemical reaction mechanism requires repetitive solutions of the governing ODEs for a variety of reaction conditions. Analytical solutions to the systems of ODEs describing chemistry are not possible, except for the simplest cases, which are of little or no practical value. Consequently, there is a need for fast and reliable numerical solution techniques for chemical kinetics problems. In addition to solving the ODEs describing chemical kinetics, it is often necessary to know what effects variations in either initial condition values or chemical reaction mechanism parameters have on the solution. Such a need arises in the development of reaction mechanisms from experimental data. The rate coefficients are often not known with great precision and in general, the experimental data are not sufficiently detailed to accurately estimate the rate coefficient parameters. The development of a reaction mechanism is facilitated by a systematic sensitivity analysis

  11. Texture Profile Analysis of Sliced Cheese in relation to Chemical Composition and Storage Temperature

    Directory of Open Access Journals (Sweden)

    Yuanrong Zheng

    2016-01-01

    Full Text Available The quantitative relationships among chemical composition, storage temperature, and texture of cheese were not fully understood. In this study, the effects of composition and temperature on textural properties of eight common varieties of sliced cheese were examined. The textural properties of sliced cheeses, including firmness, cohesiveness, adhesiveness, springiness, chewiness, and resilience, were measured by texture profile analysis after storage at 4 and 25°C for 4 h. Multivariate logistic regression models were established to describe the quantitative relationships of textural properties (dependent variables to chemical composition and storage temperature (independent variables of sliced cheeses. Results showed that protein, fat, moisture, and sodium chloride contents as well as storage temperature significantly affected the texture of sliced cheeses (P<0.05. In particular, fat in the dry matter and moisture in the nonfat substances were negatively correlated with firmness of sliced cheeses (P<0.05. As storage temperature rose from 4 to 25°C, the average values of firmness, chewiness, and resilience substantially declined by 42%, 45%, and 17%, respectively (P<0.05. This study provided reference data for adjusting chemical composition and storage temperature of common cheese products to obtain favorable texture for Chinese consumers, which thereby facilitated the localization of cheese industry in Chinese market.

  12. Segmentation of vascular structures and hematopoietic cells in 3D microscopy images and quantitative analysis

    Science.gov (United States)

    Mu, Jian; Yang, Lin; Kamocka, Malgorzata M.; Zollman, Amy L.; Carlesso, Nadia; Chen, Danny Z.

    2015-03-01

    In this paper, we present image processing methods for quantitative study of how the bone marrow microenvironment changes (characterized by altered vascular structure and hematopoietic cell distribution) caused by diseases or various factors. We develop algorithms that automatically segment vascular structures and hematopoietic cells in 3-D microscopy images, perform quantitative analysis of the properties of the segmented vascular structures and cells, and examine how such properties change. In processing images, we apply local thresholding to segment vessels, and add post-processing steps to deal with imaging artifacts. We propose an improved watershed algorithm that relies on both intensity and shape information and can separate multiple overlapping cells better than common watershed methods. We then quantitatively compute various features of the vascular structures and hematopoietic cells, such as the branches and sizes of vessels and the distribution of cells. In analyzing vascular properties, we provide algorithms for pruning fake vessel segments and branches based on vessel skeletons. Our algorithms can segment vascular structures and hematopoietic cells with good quality. We use our methods to quantitatively examine the changes in the bone marrow microenvironment caused by the deletion of Notch pathway. Our quantitative analysis reveals property changes in samples with deleted Notch pathway. Our tool is useful for biologists to quantitatively measure changes in the bone marrow microenvironment, for developing possible therapeutic strategies to help the bone marrow microenvironment recovery.

  13. Quantitative analysis of the individual dynamics of Psychology theses

    Directory of Open Access Journals (Sweden)

    Robles, Jaime R.

    2009-12-01

    Full Text Available Three cohorts of undergraduate psychology theses (n = 57 performed by last year undergraduate psychology students from Universidad Católica Andrés Bello, were monitored using 5 longitudinal measurements of progression. A Generalized Additive Model, to predict the completion time of the theses, is tested against two completion times: early and delayed. Effect size measures favor a multiple dimension model over a global progress model. The trajectory of the indicators through the 5 measurements allows the differentiation between early and delayed completion. The completion probabilities estimated by the dimensional model allow the identification of differential oscillation levels for the distinct completion times. The initial progression indicators allow the prediction of early completion with a 71% success rate, while the final measurement shows a success rate of 89%. The results support the effectiveness of the supervisory system and the analysis of the progression dynamics of the theses from a task-delay model, focused on the relationship between the amount of task completion and the deadlines

  14. Quantitative XPS analysis of silica-supported Cu Co oxides

    Science.gov (United States)

    Cesar, Deborah V.; Peréz, Carlos A.; Schmal, Martin; Salim, Vera Maria M.

    2000-04-01

    Copper-cobalt oxides with Cu/Co=5:5, 15:15 and 35:35 bulk ratio have been prepared by deposition-precipitation method at constant pH from copper and cobalt nitrate solutions. Different oxides were obtained by decomposition of the precursors at 673 K for 7 h in air and analyzed by X-ray diffraction (XRD), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). XRD data showed the formation of different oxide phases; for the bulk atomic ratio of 15Cu:15Co, a phase containing Cu and Co with spinel-like structure was observed, while the other bimetallic oxides presented CuO and Co 3O 4 as distinct phases. The XPS qualitative analysis has shown that all samples exhibited Cu 2+ and Co 3+ species at the surface. The Cu-Co spinel presented a displacement in Cu 2p binding energy value. A mathematical model was proposed from relative intensity ratios, which allowed the determination of the oxide particle thickness and the fraction of coverage at the support. This model described accurately the system and showed that cobalt improved the copper dispersion.

  15. Qualitative and quantitative analysis of Chinese herb fructus chaenomelis

    Institute of Scientific and Technical Information of China (English)

    Shuhu Du; Lina Chen; Kunfang Ma; Hongjian Ji

    2007-01-01

    Objective: To establish reliable methods for evaluating the quality of Chinese herb fructus chaenomelis. Methods: Qualitative analysis by Thin layer chromatography (TLC) , reference substances were Chaenomeles speciosa (Sweet) Nakai and oleanolic acid, a ethanol solution. In the system of high performance liquid chromatography(HPLC), a Prontosil Eurobond C18 column (250 mm×4.0 the flow rate was 1.0 ml/min with UV detected at 210 nm, the column temperature was maintained at room temperature. Results:In the system of TLC, oleanolic acid was separated successfully. In HPLC, the linear ranges of oleanotic acid and ursolic acid were 5.89-13.73 μg (R=0.9990)and 6.84~15.96 μg (R=0.9990), respectively. The average recoveries of oleanolic acid and ursolic acid were 97.52% (RSD=2.58% ), 98.21% (RSD=2.23%), respectively. Conclusion: The established TLC method can easily distinguish Chinese herb fructus chaenomelis from other commonly used crude drugs of the same family .The HPLC method for determining oleanolic acid and ursolic acid is simple, reproducible, accurate and feasible. The methods reported in this paper can be used scientifically and effectively to evaluate the quality of Chinese herb fructus chaenomelis.

  16. Quantitative analysis of soil chromatography. I. Water and radionuclide transport

    Energy Technology Data Exchange (ETDEWEB)

    Reeves, M.; Francis, C.W.; Duguid, J.O.

    1977-12-01

    Soil chromatography has been used successfully to evaluate relative mobilities of pesticides and nuclides in soils. Its major advantage over the commonly used suspension technique is that it more accurately simulates field conditions. Under such conditions the number of potential exchange sites is limited both by the structure of the soil matrix and by the manner in which the carrier fluid moves through this structure. The major limitation of the chromatographic method, however, has been its qualitative nature. This document represents an effort to counter this objection. A theoretical basis is specified for the transport both of the carrier eluting fluid and of the dissolved constituent. A computer program based on this theory is developed which optimizes the fit of theoretical data to experimental data by automatically adjusting the transport parameters, one of which is the distribution coefficient k/sub d/. This analysis procedure thus constitutes an integral part of the soil chromatographic method, by means of which mobilities of nuclides and other dissolved constituents in soils may be quantified.

  17. Quantitative analysis of bloggers' collective behavior powered by emotions

    Science.gov (United States)

    Mitrović, Marija; Paltoglou, Georgios; Tadić, Bosiljka

    2011-02-01

    Large-scale data resulting from users' online interactions provide the ultimate source of information to study emergent social phenomena on the Web. From individual actions of users to observable collective behaviors, different mechanisms involving emotions expressed in the posted text play a role. Here we combine approaches of statistical physics with machine-learning methods of text analysis to study the emergence of emotional behavior among Web users. Mapping the high-resolution data from digg.com onto bipartite networks of users and their comments onto posted stories, we identify user communities centered around certain popular posts and determine emotional contents of the related comments by the emotion classifier developed for this type of text. Applied over different time periods, this framework reveals strong correlations between the excess of negative emotions and the evolution of communities. We observe avalanches of emotional comments exhibiting significant self-organized critical behavior and temporal correlations. To explore the robustness of these critical states, we design a network-automaton model on realistic network connections and several control parameters, which can be inferred from the dataset. Dissemination of emotions by a small fraction of very active users appears to critically tune the collective states.

  18. Quantitative Analysis of Criteria in University Building Maintenance in Malaysia

    Directory of Open Access Journals (Sweden)

    Olanrewaju Ashola Abdul-Lateef

    2010-10-01

    Full Text Available University buildings are a significant part of university assets and considerable resources are committed to their design, construction and maintenance. The core of maintenance management is to optimize productivity and user satisfaction with optimum resources. An important segment in the maintenance management system is the analysis of criteria that influence building maintenance. Therefore, this paper aims to identify quantify, rank and discuss the criteria that influence maintenance costs, maintenance backlogs, productivity and user satisfaction in Malaysian university buildings. The paper reviews the related literature and presents the outcomes of a questionnaire survey. Questionnaires were administered on 50 university maintenance organizations. Thirty-one criteria were addressed to the university maintenance organizations to evaluate the degree to which each of the criteria influences building maintenance management. With a 66% response rate, it was concluded that the consideration of the criteria is critical to the university building maintenance management system. The quality of components and materials, budget constraints and the age of the building were found to be the most influential criteria but information on user performance satisfaction, problems associated with in-house workforce and shortage of materials and components were the least influential criteria. The paper also outlined that maintenance management is a strategic function in university administration.

  19. Funtools: Fits Users Need Tools for Quick, Quantitative Analysis

    Science.gov (United States)

    Mandel, Eric; Brederkamp, Joe (Technical Monitor)

    2001-01-01

    The Funtools project arose out of conversations with astronomers about the decline in their software development efforts over the past decade. A stated reason for this decline is that it takes too much effort to master one of the existing FITS libraries simply in order to write a few analysis programs. This problem is exacerbated by the fact that astronomers typically develop new programs only occasionally, and the long interval between coding efforts often necessitates re-learning the FITS interfaces. We therefore set ourselves the goal of developing a minimal buy-in FITS library for researchers who are occasional (but serious) coders. In this case, "minimal buy-in" meant "easy to learn, easy to use, and easy to re-learn next month". Based on conversations with astronomers interested in writing code, we concluded that this goal could be achieved by emphasizing two essential capabilities. The first was the ability to write FITS programs without knowing much about FITS, i.e., without having to deal with the arcane rules for generating a properly formatted FITS file. The second was to support the use of already-familiar C/Unix facilities, especially C structs and Unix stdio. Taken together, these two capabilities would allow researchers to leverage their existing programming expertise while minimizing the need to learn new and complex coding rules.

  20. Derivation of a quantitative minimal model from a detailed elementary-step mechanism supported by mathematical coupling analysis

    Science.gov (United States)

    Shaik, O. S.; Kammerer, J.; Gorecki, J.; Lebiedz, D.

    2005-12-01

    Accurate experimental data increasingly allow the development of detailed elementary-step mechanisms for complex chemical and biochemical reaction systems. Model reduction techniques are widely applied to obtain representations in lower-dimensional phase space which are more suitable for mathematical analysis, efficient numerical simulation, and model-based control tasks. Here, we exploit a recently implemented numerical algorithm for error-controlled computation of the minimum dimension required for a still accurate reduced mechanism based on automatic time scale decomposition and relaxation of fast modes. We determine species contributions to the active (slow) dynamical modes of the reaction system and exploit this information in combination with quasi-steady-state and partial-equilibrium approximations for explicit model reduction of a novel detailed chemical mechanism for the Ru-catalyzed light-sensitive Belousov-Zhabotinsky reaction. The existence of a minimum dimension of seven is demonstrated to be mandatory for the reduced model to show good quantitative consistency with the full model in numerical simulations. We derive such a maximally reduced seven-variable model from the detailed elementary-step mechanism and demonstrate that it reproduces quantitatively accurately the dynamical features of the full model within a given accuracy tolerance.

  1. Scientific production on surgical nursing: analysis of the quantitative studies carried out between 2005 and 2009

    Directory of Open Access Journals (Sweden)

    Keila Maria de Azevedo Ponte

    2012-04-01

    Full Text Available This study aimed to analyze the characteristics of quantitative studies of nursing scientific publication in the surgical area. Research with quantitative approach carried out in the Virtual Healthcare Library with articles of quantitative nature, published from 2005 to 2009, in journals classified as A1, A2 and B1 by the Capes Nursing Qualis system 2008, full-text available on-line and in Portuguese. 28 articles were analyzed and it was detected that most of them are descriptive, exploratory, cross-sectional and retrospective. The most adopted instrument of data collection was the form; as disposition of data analysis, the use of tables and of simple and relative frequency; as database, the Excel program; and as statistical tests, the chi-square and Fisher. Researches with quantitative approach in surgical nursing area have been published in journals of national impact with the main characteristics of this type of approach.

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

    Science.gov (United States)

    Pollard, A M

    2015-02-01

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

  3. [Study of infrared spectroscopy quantitative analysis method for methane gas based on data mining].

    Science.gov (United States)

    Zhang, Ai-Ju

    2013-10-01

    Monitoring of methane gas is one of the important factors affecting the coal mine safety. The online real-time monitoring of the methane gas is used for the mine safety protection. To improve the accuracy of model analysis, in the present paper, the author uses the technology of infrared spectroscopy to study the gas infrared quantitative analysis algorithm. By data mining technology application in multi-component infrared spectroscopy quantitative analysis algorithm, it was found that cluster analysis partial least squares algorithm is obviously superior to simply using partial least squares algorithm in terms of accuracy. In addition, to reduce the influence of the error on the accuracy of model individual calibration samples, the clustering analysis was used for the data preprocessing, and such denoising method was found to improve the analysis accuracy.

  4. Chemical analysis of Ginkgo biloba leaves and extracts

    NARCIS (Netherlands)

    Beek, van T.A.

    2002-01-01

    The chemical analysis and quality control of Ginkgo leaves and extracts is reviewed. Important constituents present in the medicinally used leaves are the terpene trilactones, i.e., ginkgolides A, B, C, J and bilobalide, many flavonol glycosides, biflavones, proanthocyanidins, alkylphenols, simple p

  5. Spectangular - Spectral Disentangling For Detailed Chemical Analysis Of Binaries

    Science.gov (United States)

    Sablowski, Daniel

    2016-08-01

    Disentangling of spectra helps to improve the orbit parameters and allows detailed chemical analysis. Spectangular is a GUI program written in C++ for spectral disentangling of spectra of SB1 and SB2 systems. It is based on singular value decomposition in the wavelength space and is coupled to an orbital solution.The results are the component spectra and the orbital parameters.

  6. Analyses IR quantitatives des sédiments. Exemple du dosage du quartz et de la calcite Quantitative Ir Analysis of Sediments. Example of Quartz and Calcite Determination

    Directory of Open Access Journals (Sweden)

    Pichard C.

    2006-11-01

    Full Text Available Plus généralement utilisée pour l'étude des phases fluides, la spectrophotométrie d'absorption infrarouge a trouvé un important champ d'application dans l'analyse minéralogique quantitative globale des roches sédimentaires. En s'appuyant sur deux exemples précis de constituants importants des sédiments (quartz et calcite, on montre ici les différentes possibilités analytiques avec échantillon seul, compensation du diluant pur, compensation d'un minéral pur et compensation d'un minéral en mélange artificiel et naturel (roche sédimentaire. On décrit les modifications subies par les spectres et des courbes d'étalonnages sont dressées dans chaque cas. Les données recueillies permettent de vérifier l'utilisation légitime de la loi d'absorption pour ces analyses infrarouges de phases solides impliquant une compensation, et donc un traitement des spectres originaux, l'erreur relative maximale expérimentale ne dépassant pas quelques pourcents dans les cas les plus défavorables. Dans les limites du dosage de minéraux à composition chimique et structure cristalline fixes, l'analyse d'un minéral par sa compensation partielle peut être d'un grand intérêt pour des constituants majeurs de roches, car autorisant l'analyse là où une concentration trop élevée l'aurait interdite. Cette méthode de compensation est plus délicate, voire impossible, pour les solutions solides ou tout minéral à formule chimique variable. D'une manière générale, les principaux constituants des roches sédimentaires peuvent être ainsi quantifiés sur un seul spectre par l'analyse IR qui offre donc la possibilité d'une définition numérique des faciès. Although it is more generally used for analyzing fluid phases, infrared absorption spectrophotometry has found an important area of application in the bulk quantitative mineralogical analysis of sedimentary rocks. On the basis of two specific examples of important constituents of sediments

  7. A Software Tool for Quantitative Seismicity Analysis - ZMAP

    Science.gov (United States)

    Wiemer, S.; Gerstenberger, M.

    2001-12-01

    Earthquake catalogs are probably the most basic product of seismology, and remain arguably the most useful for tectonic studies. Modern seismograph networks can locate up to 100,000 earthquakes annually, providing a continuous and sometime overwhelming stream of data. ZMAP is a set of tools driven by a graphical user interface (GUI), designed to help seismologists analyze catalog data. ZMAP is primarily a research tool suited to the evaluation of catalog quality and to addressing specific hypotheses; however, it can also be useful in routine network operations. Examples of ZMAP features include catalog quality assessment (artifacts, completeness, explosion contamination), interactive data exploration, mapping transients in seismicity (rate changes, b-values, p-values), fractal dimension analysis and stress tensor inversions. Roughly 100 scientists worldwide have used the software at least occasionally. About 30 peer-reviewed publications have made use of ZMAP. ZMAP code is open source, written in the commercial software language Matlab by the Mathworks, a widely used software in the natural sciences. ZMAP was first published in 1994, and has continued to grow over the past 7 years. Recently, we released ZMAP v.6. The poster will introduce the features of ZMAP. We will specifically focus on ZMAP features related to time-dependent probabilistic hazard assessment. We are currently implementing a ZMAP based system that computes probabilistic hazard maps, which combine the stationary background hazard as well as aftershock and foreshock hazard into a comprehensive time dependent probabilistic hazard map. These maps will be displayed in near real time on the Internet. This poster is also intended as a forum for ZMAP users to provide feedback and discuss the future of ZMAP.

  8. Quantitative Analysis of Water Confined in Ion-Exchanged Zeolites

    Science.gov (United States)

    Wang, J.; Neuhoff, P. S.

    2009-12-01

    Zeolites, which host large quantities of water, are among the most important rock-forming and environmental minerals in the surface and near-surface regions of the Earth. The physical properties and geochemical behavior of water confined in zeolites differs substantially from that of bulk liquid water, and the energectics of confined water exerts a profound influence on the stability and behavior of zeolites in natural and engineered systems. Because the cations and water molecules are both located in the zeolitic channels, changes in cation content can influence the amount and site occupancies of water molecules in zeolites. In order to find out the relationship between the behavior of confined water and cation composition in zeolites, thermogravimetric and calorimetric experiments were conducted on the mordenite (one of the most common zeolites) samples of mixing Na+ and K+. These mordenite solid solutions were generated by binary ion exchange between pure synthetic Na-mordenite (CBV 10A, obtained from Zeolyst International) and chloride solutions containing Na+ and K+ of different equivalent concentration ratios. The results from dehydration and hydration of the mordenite solid solutions show that when the mole fraction of K+ in mordenite increases, the maximum water content of mordenite decreases and the enthalpy of hydration becomes less exothermic. More importantly, both maximum water content and enthalpy of hydration of mordenite are demonstrated to change linearly with mole fraction of K+. Two energetically distinct sets of water molecules have been observed in mordenite: W1 (relatively less energetic) and W2 (relatively high energetic). Thermodynamic analysis on the hydration of W1 and W2 reveals that these two sets of water molecules behave differently when cation composition of mordenite changes. The water content of W2 is independent of cation composition, whereas W1 loses water with when mole fraction of K+ increases; the enthalpy of hydration of W1

  9. Quantitative analysis of experiments on bacterial chemotaxis to naphthalene.

    Science.gov (United States)

    Pedit, Joseph A; Marx, Randall B; Miller, Cass T; Aitken, Michael D

    2002-06-20

    A mathematical model was developed to quantify chemotaxis to naphthalene by Pseudomonas putida G7 (PpG7) and its influence on naphthalene degradation. The model was first used to estimate the three transport parameters (coefficients for naphthalene diffusion, random motility, and chemotactic sensitivity) by fitting it to experimental data on naphthalene removal from a discrete source in an aqueous system. The best-fit value of naphthalene diffusivity was close to the value estimated from molecular properties with the Wilke-Chang equation. Simulations applied to a non-chemotactic mutant strain only fit the experimental data well if random motility was negligible, suggesting that motility may be lost rapidly in the absence of substrate or that gravity may influence net random motion in a vertically oriented experimental system. For the chemotactic wild-type strain, random motility and gravity were predicted to have a negligible impact on naphthalene removal relative to the impact of chemotaxis. Based on simulations using the best-fit value of the chemotactic sensitivity coefficient, initial cell concentrations for a non-chemotactic strain would have to be several orders of magnitude higher than for a chemotactic strain to achieve similar rates of naphthalene removal under the experimental conditions we evaluated. The model was also applied to an experimental system representing an adaptation of the conventional capillary assay to evaluate chemotaxis in porous media. Our analysis suggests that it may be possible to quantify chemotaxis in porous media systems by simply adjusting the model's transport parameters to account for tortuosity, as has been suggested by others.

  10. Quantitative ultrasound texture analysis for clinical decision making support

    Science.gov (United States)

    Wu, Jie Ying; Beland, Michael; Konrad, Joseph; Tuomi, Adam; Glidden, David; Grand, David; Merck, Derek

    2015-03-01

    We propose a general ultrasound (US) texture-analysis and machine-learning framework for detecting the presence of disease that is suitable for clinical application across clinicians, disease types, devices, and operators. Its stages are image selection, image filtering, ROI selection, feature parameterization, and classification. Each stage is modular and can be replaced with alternate methods. Thus, this framework is adaptable to a wide range of tasks. Our two preliminary clinical targets are hepatic steatosis and adenomyosis diagnosis. For steatosis, we collected US images from 288 patients and their pathology-determined values of steatosis (%) from biopsies. Two radiologists independently reviewed all images and identified the region of interest (ROI) most representative of the hepatic echotexture for each patient. To parameterize the images into comparable quantities, we filter the US images at multiple scales for various texture responses. For each response, we collect a histogram of pixel features within the ROI, and parameterize it as a Gaussian function using its mean, standard deviation, kurtosis, and skew to create a 36-feature vector. Our algorithm uses a support vector machine (SVM) for classification. Using a threshold of 10%, we achieved 72.81% overall accuracy, 76.18% sensitivity, and 65.96% specificity in identifying steatosis with leave-ten-out cross-validation (p<0.0001). Extending this framework to adenomyosis, we identified 38 patients with MR-confirmed findings of adenomyosis and previous US studies and 50 controls. A single rater picked the best US-image and ROI for each case. Using the same processing pipeline, we obtained 76.14% accuracy, 86.00% sensitivity, and 63.16% specificity with leave-one-out cross-validation (p<0.0001).

  11. Quantitative assessment of p-glycoprotein expression and function using confocal image analysis.

    Science.gov (United States)

    Hamrang, Zahra; Arthanari, Yamini; Clarke, David; Pluen, Alain

    2014-10-01

    P-glycoprotein is implicated in clinical drug resistance; thus, rapid quantitative analysis of its expression and activity is of paramout importance to the design and success of novel therapeutics. The scope for the application of quantitative imaging and image analysis tools in this field is reported here at "proof of concept" level. P-glycoprotein expression was utilized as a model for quantitative immunofluorescence and subsequent spatial intensity distribution analysis (SpIDA). Following expression studies, p-glycoprotein inhibition as a function of verapamil concentration was assessed in two cell lines using live cell imaging of intracellular Calcein retention and a routine monolayer fluorescence assay. Intercellular and sub-cellular distributions in the expression of the p-glycoprotein transporter between parent and MDR1-transfected Madin-Derby Canine Kidney cell lines were examined. We have demonstrated that quantitative imaging can provide dose-response parameters while permitting direct microscopic analysis of intracellular fluorophore distributions in live and fixed samples. Analysis with SpIDA offers the ability to detect heterogeniety in the distribution of labeled species, and in conjunction with live cell imaging and immunofluorescence staining may be applied to the determination of pharmacological parameters or analysis of biopsies providing a rapid prognostic tool.

  12. Quantitative x-ray diffraction phase analysis of coarse airborne particulate collected by cascade impactor sampling

    Science.gov (United States)

    Esteve, V.; Rius, J.; Ochando, L. E.; Amigó, J. M.

    Mineralogical composition of Castellon (Spanish Mediterranean coast) atmospheric aerosol was studied by X-ray diffraction by sampling with a cascade impactor without filters. Quantitative phase analysis of natural phases present in the atmospheric coarse aerosol was performed using a modified version of the computer program MENGE, that uses the standardless X-ray method developed by Rius for the quantitative analysis of multiphase mixtures, adapted for PC running. Presence of quartz, calcite and gypsum was identified in the atmospheric aerosol and we have quantified their amounts using the standardless method.

  13. Analysis of liver connexin expression using reverse transcription quantitative real-time polymerase chain reaction

    Science.gov (United States)

    Maes, Michaël; Willebrords, Joost; Crespo Yanguas, Sara; Cogliati, Bruno; Vinken, Mathieu

    2016-01-01

    Summary Although connexin production is mainly regulated at the protein level, altered connexin gene expression has been identified as the underlying mechanism of several pathologies. When studying the latter, appropriate methods to quantify connexin mRNA levels are required. The present chapter describes a well-established reverse transcription quantitative real-time polymerase chain reaction procedure optimized for analysis of hepatic connexins. The method includes RNA extraction and subsequent quantification, generation of complementary DNA, quantitative real-time polymerase chain reaction and data analysis. PMID:27207283

  14. Quantitative analysis of the secretion of the MCP family of chemokines by muscle cells

    DEFF Research Database (Denmark)

    Henningsen, Jeanette; Pedersen, Bente Klarlund; Kratchmarova, Irina

    2011-01-01

    by Amino acids in Cell culture (SILAC) method for quantitative analysis resulted in the identification and generation of quantitative profiles of 59 growth factors and cytokines, including 9 classical chemokines. The members of the CC chemokine family of proteins such as monocyte chemotactic proteins 1, 2......, and 3 (MCP-1/CCL2, MCP-2/CCL8, and MCP-3/CCL7) showed a distinct pattern of secretion during differentiation. Further analysis using combinatorial RNA and protein approaches demonstrated that the MCPs are regulated via both post-transcriptional and post-translational mechanisms. Analyses...

  15. Forensic analysis of bicomponent fibers using infrared chemical imaging.

    Science.gov (United States)

    Flynn, Katherine; O'Leary, Robyn; Roux, Claude; Reedy, Brian J

    2006-05-01

    The application of infrared chemical imaging to the analysis of bicomponent fibers was evaluated. Eleven nominally bicomponent fibers were examined either side-on or in cross-section. In six of the 11 samples, infrared chemical imaging was able to spatially resolve two spectroscopically distinct regions when the fibers were examined side-on. As well as yielding characteristic infrared spectra of each component, the technique also provided images that clearly illustrated the side-by-side configuration of these components in the fiber. In one case it was possible to prepare and image a cross-section of the fiber, but in general the preparation of fiber cross-sections proved very difficult. In five of the 11 samples, the infrared spectra could be used to identify the overall chemical composition of the fibers, according to a published classification scheme, but the fiber components could not be spatially resolved. Difficulties that are inherent to conventional "single-point" infrared spectroscopy, such as interference fringing and sloping baselines, particularly when analyzing acrylic type fibers, were also encountered in the infrared chemical image analysis of bicomponent fibers. A number of infrared sampling techniques were investigated to overcome these problems, and recommendations for the best sampling technique are given. Chemical imaging results were compared with those obtained using conventional fiber microscopy techniques.

  16. CRAFT (complete reduction to amplitude frequency table)--robust and time-efficient Bayesian approach for quantitative mixture analysis by NMR.

    Science.gov (United States)

    Krishnamurthy, Krish

    2013-12-01

    The intrinsic quantitative nature of NMR is increasingly exploited in areas ranging from complex mixture analysis (as in metabolomics and reaction monitoring) to quality assurance/control. Complex NMR spectra are more common than not, and therefore, extraction of quantitative information generally involves significant prior knowledge and/or operator interaction to characterize resonances of interest. Moreover, in most NMR-based metabolomic experiments, the signals from metabolites are normally present as a mixture of overlapping resonances, making quantification difficult. Time-domain Bayesian approaches have been reported to be better than conventional frequency-domain analysis at identifying subtle changes in signal amplitude. We discuss an approach that exploits Bayesian analysis to achieve a complete reduction to amplitude frequency table (CRAFT) in an automated and time-efficient fashion - thus converting the time-domain FID to a frequency-amplitude table. CRAFT uses a two-step approach to FID analysis. First, the FID is digitally filtered and downsampled to several sub FIDs, and secondly, these sub FIDs are then modeled as sums of decaying sinusoids using the Bayesian approach. CRAFT tables can be used for further data mining of quantitative information using fingerprint chemical shifts of compounds of interest and/or statistical analysis of modulation of chemical quantity in a biological study (metabolomics) or process study (reaction monitoring) or quality assurance/control. The basic principles behind this approach as well as results to evaluate the effectiveness of this approach in mixture analysis are presented.

  17. Quantitative surface analysis by XPS: application to hydro-treating catalysts; Analyse quantitative de surface par XPS (X-ray photoelectron spectroscopy): application aux catalyseurs d'hydrotraitement

    Energy Technology Data Exchange (ETDEWEB)

    Beccat, P. [Institut Francais du Petrole. Centre d' Etude et de Developpement Industriel, 69 - Vernaison (France); Da Silva, P.; Huiban, Y.; Kasztelan, S. [Institut Francais du Petrole (IFP), 92 - Rueil-Malmaison (France)

    1999-07-01

    XPS is an ideal technique to provide the chemical composition of the extreme surface of solid materials, vastly applied to the study of catalysts. In this article, we will show that a quantitative approach, based upon fundamental expression of the XPS signal, has enabled us to obtain a consistent set of response factors for the elements of the periodic table. In-depth spadework has been necessary to know precisely the transmission function of the spectrometer used at IFP. The set of response factors obtained enables to perform, on a routine basis, a quantitative analysis with approximately 20% relative accuracy, which is quite acceptable for an analysis of such a nature. While using this quantitative approach, we have developed an analytical method specific to hydro-treating catalysts that allows obtaining the sulfiding degree of molybdenum quite reliably and reproducibly. The usage of this method is illustrated by two examples for which XPS spectroscopy has provided with information sufficiently accurate and quantitative to help understand the reactivity differences between certain MoS{sub 2}/Al{sub 2}O{sub 3} or NiMoS/Al{sub 2}O{sub 3}-type hydro-treating catalysts. (authors)

  18. Quantitative analysis of doped/undoped ZnO nanomaterials using laser assisted atom probe tomography: Influence of the analysis parameters

    Energy Technology Data Exchange (ETDEWEB)

    Amirifar, Nooshin; Lardé, Rodrigue, E-mail: rodrigue.larde@univ-rouen.fr; Talbot, Etienne; Pareige, Philippe; Rigutti, Lorenzo; Mancini, Lorenzo; Houard, Jonathan; Castro, Celia [Groupe de Physique des Matériaux, UMR CNRS 6634, Université et INSA de Rouen, Avenue de l' Université, BP 12, 76801 Saint Etienne du Rouvray (France); Sallet, Vincent; Zehani, Emir; Hassani, Said; Sartel, Corine [Groupe d' étude de la Matière Condensée (GEMAC), CNRS Université de Versailles St Quentin, 45 Avenue des Etats-Unis, 78035 Versailles Cedex (France); Ziani, Ahmed; Portier, Xavier [Centre de Recherche sur les Ions, les Matériaux et la Photonique (CIMAP), UMR 6252 CEA-CNRS-ENSICAEN, Université de Caen, 14050 Caen (France)

    2015-12-07

    In the last decade, atom probe tomography has become a powerful tool to investigate semiconductor and insulator nanomaterials in microelectronics, spintronics, and optoelectronics. In this paper, we report an investigation of zinc oxide nanostructures using atom probe tomography. We observed that the chemical composition of zinc oxide is strongly dependent on the analysis parameters used for atom probe experiments. It was observed that at high laser pulse energies, the electric field at the specimen surface is strongly dependent on the crystallographic directions. This dependence leads to an inhomogeneous field evaporation of the surface atoms, resulting in unreliable measurements. We show that the laser pulse energy has to be well tuned to obtain reliable quantitative chemical composition measurements of undoped and doped ZnO nanomaterials.

  19. MULTI-PEAK MATCH INTENSITY RATIO METHOD OF QUANTITATIVE X-RAY DIFFRACTION PHASE ANALYSIS

    Institute of Scientific and Technical Information of China (English)

    G. Chu; Y.F. Cong; H.J. You

    2003-01-01

    A new method for quantitative phase analysis is proposed by using X-ray diffraction multi-peak match intensity ratio. This method can obtain the multi-peak match intensity ratio among each phase in the mixture sample by using all diffraction peak data in the mixture sample X-ray diffraction spectrum and combining the relative intensity distribution data of each phase standard peak in JCPDS card to carry on the least square method regression analysis. It is benefit to improve the precision of quantitative phase analysis that the given single line ratio which is usually adopted is taken the place of the multi-peak match intensity ratio and is used in X-ray diffraction quantitative phase analysis of the mixture sample. By analyzing four-group mixture sample, adopting multi-peak match intensity ratio and X-ray diffraction quantitative phase analysis principle of combining the adiabatic and matrix flushing method, it is tested that the experimental results are identical with theory.

  20. Qualitative and Quantitative Proteome Analysis of Oral Fluids in Health and Periodontal Disease by Mass Spectrometry.

    Science.gov (United States)

    Salih, Erdjan

    2017-01-01

    The significance of protein identification and characterization by classical protein chemistry approaches is clearly highlighted by our detailed understanding of the biological systems assembled over a time period of almost a century. The advent of state-of-the-art mass spectrometry (MS) with sensitivity, speed, and global protein analysis capacity without individual protein purification has transformed the classical protein chemistry with premise to accelerate discovery. These combined with the ability of the oral fluids such as whole saliva (WS) and gingival crevicular fluid (GCF) to reflect both systemic and locally derived proteins have generated significant interest to characterize these fluids more extensively by MS technology. This chapter deals with the experimental details of preanalytical steps using multidimensional protein separation combined with MS analysis of WS and GCF to achieve detailed protein composition at qualitative and quantitative levels. These approaches are interfaced with gold standard "stable-isotope" labeling technologies for large-scale quantitative MS analysis which is a prerequisite to determine accurate alterations in protein levels as a function of disease progression. The latter incorporates two stable-isotope chemistries one specific for cysteine containing proteins and the other universal amine-specific reagent in conjunction with oral fluids in health and periodontal disease to perform quantitative MS analysis. In addition, specific preanalytical steps demanded by the oral fluids such as GCF and WS for sample preparations to overcome limitations and uncertainties are elaborated for reliable large-scale quantitative MS analysis.

  1. Near-field Optical Imagigng and Chemical Analysis

    Science.gov (United States)

    Andres, La Rosa

    1998-03-01

    Identification of molecular structures in complex mixtures represents a major challenge in chemical research today. Microfabricated devices or lab-on-a-chip that perform chemical analysis allows dynamic sampling of picoliter microenvironments and separation. The long-term goals of nanochemistry down to the femtoliter scale involve refinement of the detection limit to single-molecule. Our approach consists in designing a very sensitive near-field optical microscope (NSOM-SIAM) to explore the mesoscopic properties of organic compounds. The validity, sensitivity and unique spatial resolution of this system will be discussed for multiple analyte chemosensing.

  2. Chemical analysis of plasma-assisted antimicrobial treatment on cotton

    Science.gov (United States)

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

    2013-06-01

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

  3. An Extended Algorithm of Flexibility Analysis in Chemical Engineering Processes

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    An extended algorithm of flexibility analysis with a local adjusting method for flexibility region of chemical processes, which is based on the active constraint strategy, is proposed, which fully exploits the flexibility region of the process system operation. The hyperrectangular flexibility region determined by the extended algorithm is larger than that calculated by the previous algorithms. The limitation of the proposed algorithm due to imperfect convexity and its corresponding verification measure are also discussed. Both numerical and actual chemical process examples are presented to demonstrate the effectiveness of the new algorithm.

  4. Processing and quantitative analysis of biodegradable polymers (PLLA and PCL) thermal bonding

    Science.gov (United States)

    Boutry, C. M.; Kiran, R.; Umbrecht, F.; Hierold, C.

    2010-08-01

    A quantitative analysis of the bond strength and microstructure integrity achieved when bonding the biodegradable polymers poly(L-lactide) (PLLA) and poly(ɛ-caprolactone) (PCL) has been performed using the response surface methodology. The respective influence of the bonding parameters (temperature, pressure, duration) on the bond strength and microchannel integrity was investigated. PLLA and PCL were identified as suitable candidates for packaging materials for bioelectronic circuits of conductive biodegradable polymers. For a future packaging application, the bonding parameters were adapted to optimize the bond strength; the estimated values for the bond strength and channel integrity that were predicted by the surface plots were 2.32 ± 0.26 MPa and 33.7 ± 12.9% for PLLA, and 0.81 ± 0.11 MPa and 50.9 ± 5.7% for PCL. These values were in good agreement with the experimentally determined bond strength of 2.00 ± 1.10 MPa (PLLA) and 0.67 ± 0.22 MPa (PCL) and deformation of 31.4 ± 7.0% (PLLA) and 52.9 ± 4.1% (PCL). Microchannels with an aspect ratio of 1:12.5 were successfully fabricated. The impact of the fabrication process on the PLLA and PCL chemical properties was also investigated through differential scanning calorimetry and gel permeation chromatography measurements. It was observed that the weight average molecular weight Mw decreases after each fabrication step, as much as 68% for PLLA and 59% for PCL. The strongest reduction was observed after the compression molding (above the melting temperature) which should be kept as short as possible. An annealing step allowed increasing the crystallinity and improved the overall polymer stiffness.

  5. Quantitative elementary mode analysis of metabolic pathways: the example of yeast glycolysis

    Directory of Open Access Journals (Sweden)

    Kanehisa Minoru

    2006-04-01

    Full Text Available Abstract Background Elementary mode analysis of metabolic pathways has proven to be a valuable tool for assessing the properties and functions of biochemical systems. However, little comprehension of how individual elementary modes are used in real cellular states has been achieved so far. A quantitative measure of fluxes carried by individual elementary modes is of great help to identify dominant metabolic processes, and to understand how these processes are redistributed in biological cells in response to changes in environmental conditions, enzyme kinetics, or chemical concentrations. Results Selecting a valid decomposition of a flux distribution onto a set of elementary modes is not straightforward, since there is usually an infinite number of possible such decompositions. We first show that two recently introduced decompositions are very closely related and assign the same fluxes to reversible elementary modes. Then, we show how such decompositions can be used in combination with kinetic modelling to assess the effects of changes in enzyme kinetics on the usage of individual metabolic routes, and to analyse the range of attainable states in a metabolic system. This approach is illustrated by the example of yeast glycolysis. Our results indicate that only a small subset of the space of stoichiometrically feasible steady states is actually reached by the glycolysis system, even when large variation intervals are allowed for all kinetic parameters of the model. Among eight possible elementary modes, the standard glycolytic route remains dominant in all cases, and only one other elementary mode is able to gain significant flux values in steady state. Conclusion These results indicate that a combination of structural and kinetic modelling significantly constrains the range of possible behaviours of a metabolic system. All elementary modes are not equal contributors to physiological cellular states, and this approach may open a direction toward a

  6. Quantitative and qualitative shifts in defensive metabolites define chemical defense investment during leaf development in Inga, a genus of tropical trees.

    Science.gov (United States)

    Wiggins, Natasha L; Forrister, Dale L; Endara, María-José; Coley, Phyllis D; Kursar, Thomas A

    2016-01-01

    Selective pressures imposed by herbivores are often positively correlated with investments that plants make in defense. Research based on the framework of an evolutionary arms race has improved our understanding of why the amount and types of defenses differ between plant species. However, plant species are exposed to different selective pressures during the life of a leaf, such that expanding leaves suffer more damage from herbivores and pathogens than mature leaves. We hypothesize that this differential selective pressure may result in contrasting quantitative and qualitative defense investment in plants exposed to natural selective pressures in the field. To characterize shifts in chemical defenses, we chose six species of Inga, a speciose Neotropical tree genus. Focal species represent diverse chemical, morphological, and developmental defense traits and were collected from a single site in the Amazonian rainforest. Chemical defenses were measured gravimetrically and by characterizing the metabolome of expanding and mature leaves. Quantitative investment in phenolics plus saponins, the major classes of chemical defenses identified in Inga, was greater for expanding than mature leaves (46% and 24% of dry weight, respectively). This supports the theory that, because expanding leaves are under greater selective pressure from herbivores, they rely more upon chemical defense as an antiherbivore strategy than do mature leaves. Qualitatively, mature and expanding leaves were distinct and mature leaves contained more total and unique metabolites. Intraspecific variation was greater for mature leaves than expanding leaves, suggesting that leaf development is canalized. This study provides a snapshot of chemical defense investment in a speciose genus of tropical trees during the short, few-week period of leaf development. Exploring the metabolome through quantitative and qualitative profiling enables a more comprehensive examination of foliar chemical defense investment.

  7. The Impact of Flow Injection on Modern Chemical Analysis

    DEFF Research Database (Denmark)

    Hansen, Elo Harald

    There is no doubt that Flow Injection Analysis (FIA) has had a profound impact on the ways and means that modern analytical chemical procedures are performed. This is amply reflected in the voluminous scientific literature, which by the middle of 2004 passed more than 14,500 FIA-publications in i......There is no doubt that Flow Injection Analysis (FIA) has had a profound impact on the ways and means that modern analytical chemical procedures are performed. This is amply reflected in the voluminous scientific literature, which by the middle of 2004 passed more than 14,500 FIA...... and preconcentration procedures. In recent years, FIA has been supplemented by Sequential Injection Analysis (SIA) and the Lab-on-Valve (LOV) approach. Following a brief historic introduction and an account of the impact of FIA in academia, the lecture will describe these two new generations of FIA, accompanied...

  8. Quantitative interferometric microscopic flow cytometer with expanded principal component analysis method

    Science.gov (United States)

    Wang, Shouyu; Jin, Ying; Yan, Keding; Xue, Liang; Liu, Fei; Li, Zhenhua

    2014-11-01

    Quantitative interferometric microscopy is used in biological and medical fields and a wealth of applications are proposed in order to detect different kinds of biological samples. Here, we develop a phase detecting cytometer based on quantitative interferometric microscopy with expanded principal component analysis phase retrieval method to obtain phase distributions of red blood cells with a spatial resolution ~1.5 μm. Since expanded principal component analysis method is a time-domain phase retrieval algorithm, it could avoid disadvantages of traditional frequency-domain algorithms. Additionally, the phase retrieval method realizes high-speed phase imaging from multiple microscopic interferograms captured by CCD camera when the biological cells are scanned in the field of view. We believe this method can be a powerful tool to quantitatively measure the phase distributions of different biological samples in biological and medical fields.

  9. Optimal climate policy is a utopia. From quantitative to qualitative cost-benefit analysis

    Energy Technology Data Exchange (ETDEWEB)

    Van den Bergh, Jeroen C.J.M. [Department of Spatial Economics, Faculty of Economics and Business Administration, and Institute for Environmental Studies, Free University, De Boelelaan 1105, 1081 HV, Amsterdam (Netherlands)

    2004-04-20

    The dominance of quantitative cost-benefit analysis (CBA) and optimality concepts in the economic analysis of climate policy is criticised. Among others, it is argued to be based in a misplaced interpretation of policy for a complex climate-economy system as being analogous to individual inter-temporal welfare optimisation. The transfer of quantitative CBA and optimality concepts reflects an overly ambitious approach that does more harm than good. An alternative approach is to focus the attention on extreme events, structural change and complexity. It is argued that a qualitative rather than a quantitative CBA that takes account of these aspects can support the adoption of a minimax regret approach or precautionary principle in climate policy. This means: implement stringent GHG reduction policies as soon as possible.

  10. Comparison of clinical semi-quantitative assessment of muscle fat infiltration with quantitative assessment using chemical shift-based water/fat separation in MR studies of the calf of post-menopausal women

    Energy Technology Data Exchange (ETDEWEB)

    Alizai, Hamza; Nardo, Lorenzo; Karampinos, Dimitrios C.; Joseph, Gabby B.; Yap, Samuel P.; Baum, Thomas; Krug, Roland; Majumdar, Sharmila; Link, Thomas M. [University of California, San Francisco, Musculoskeletal and Quantitative Imaging Research Group, Department of Radiology and Biomedical Imaging, San Francisco, CA (United States)

    2012-07-15

    The goal of this study was to compare the semi-quantitative Goutallier classification for fat infiltration with quantitative fat-fraction derived from a magnetic resonance imaging (MRI) chemical shift-based water/fat separation technique. Sixty-two women (age 61 {+-} 6 years), 27 of whom had diabetes, underwent MRI of the calf using a T1-weighted fast spin-echo sequence and a six-echo spoiled gradient-echo sequence at 3 T. Water/fat images and fat fraction maps were reconstructed using the IDEAL algorithm with T2* correction and a multi-peak model for the fat spectrum. Two radiologists scored fat infiltration on the T1-weighted images using the Goutallier classification in six muscle compartments. Spearman correlations between the Goutallier grades and the fat fraction were calculated; in addition, intra-observer and inter-observer agreement were calculated. A significant correlation between the clinical grading and the fat fraction values was found for all muscle compartments (P < 0.0001, R values ranging from 0.79 to 0.88). Goutallier grades 0-4 had a fat fraction ranging from 3.5 to 19%. Intra-observer and inter-observer agreement values of 0.83 and 0.81 were calculated for the semi-quantitative grading. Semi-quantitative grading of intramuscular fat and quantitative fat fraction were significantly correlated and both techniques had excellent reproducibility. However, the clinical grading was found to overestimate muscle fat. (orig.)

  11. High performance thin layer chromatography (HPTLC) and high performance liquid chromatography (HPLC) for the qualitative and quantitative analysis of Calendula officinalis-advantages and limitations.

    Science.gov (United States)

    Loescher, Christine M; Morton, David W; Razic, Slavica; Agatonovic-Kustrin, Snezana

    2014-09-01

    Chromatography techniques such as HPTLC and HPLC are commonly used to produce a chemical fingerprint of a plant to allow identification and quantify the main constituents within the plant. The aims of this study were to compare HPTLC and HPLC, for qualitative and quantitative analysis of the major constituents of Calendula officinalis and to investigate the effect of different extraction techniques on the C. officinalis extract composition from different parts of the plant. The results found HPTLC to be effective for qualitative analysis, however, HPLC was found to be more accurate for quantitative analysis. A combination of the two methods may be useful in a quality control setting as it would allow rapid qualitative analysis of herbal material while maintaining accurate quantification of extract composition.

  12. Mass spectrometric analysis of chemical warfare agents in support of a chemical terrorist event

    Energy Technology Data Exchange (ETDEWEB)

    Hancock, J.R.; D' Agostino, P.A.; Chenier, C.L. [Defence R and D Canada Suffield, Medicine Hat, AB (Canada)

    2003-07-01

    Chemical warfare (CW) agents are considered to be any chemicals which, through their chemical action on life processes can cause death, temporary incapacitation or permanent harm to humans or animals. In Canada, the probability of a CW terrorist attack is low despite the catastrophic consequences that would result from such an attack. The three levels of government would be responding to such an event. CW agent response training for all levels of government is offered at Defence R and D Canada-Suffield. Appropriate samples must be collected for analysis in a laboratory, as such an event would lead to a criminal investigation. Research into new methods for the identification of CW agents is being conducted by the analytical laboratory at Defence R and D Canada-Suffield. Gas chromatography and mass spectrometry (GC-MS) are being used extensively to separate and characterize CW agents in organic extracts. In the case of aqueous samples, another method might be more appropriate, since additional sample handling is required before GC-MS analysis can be performed. Minimal sample handling is required when using liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) for direct analysis of CW agents. The authors demonstrated the use of LC-ESI-MS for analyzing CW agents and their hydrolysis products in aqueous samples. For the analysis of nerve agents and phosphonic acids in soil, comparable or superior results to organic extraction and GC-MS were obtained for aqueous extractions followed by LC-ESI-MS. The combination of GC-MS and LC-ESI-MS for the analysis of mustard related compounds in soil extracts from a former mustard storage area showed that the two methods are complementary in this situation. 9 refs., 3 tabs., 5 figs.

  13. Transcriptome and quantitative proteome analysis reveals molecular processes associated with larval metamorphosis in the polychaete pseudopolydora vexillosa

    KAUST Repository

    Chandramouli, Kondethimmanahalli

    2013-03-01

    Larval growth of the polychaete worm Pseudopolydora vexillosa involves the formation of segment-specific structures. When larvae attain competency to settle, they discard swimming chaetae and secrete mucus. The larvae build tubes around themselves and metamorphose into benthic juveniles. Understanding the molecular processes, which regulate this complex and unique transition, remains a major challenge because of the limited molecular information available. To improve this situation, we conducted high-throughput RNA sequencing and quantitative proteome analysis of the larval stages of P. vexillosa. Based on gene ontology (GO) analysis, transcripts related to cellular and metabolic processes, binding, and catalytic activities were highly represented during larval-adult transition. Mitogen-activated protein kinase (MAPK), calcium-signaling, Wnt/β-catenin, and notch signaling metabolic pathways were enriched in transcriptome data. Quantitative proteomics identified 107 differentially expressed proteins in three distinct larval stages. Fourteen and 53 proteins exhibited specific differential expression during competency and metamorphosis, respectively. Dramatic up-regulation of proteins involved in signaling, metabolism, and cytoskeleton functions were found during the larval-juvenile transition. Several proteins involved in cell signaling, cytoskeleton and metabolism were up-regulated, whereas proteins related to transcription and oxidative phosphorylation were down-regulated during competency. The integration of high-throughput RNA sequencing and quantitative proteomics allowed a global scale analysis of larval transcripts/proteins associated molecular processes in the metamorphosis of polychaete worms. Further, transcriptomic and proteomic insights provide a new direction to understand the fundamental mechanisms that regulate larval metamorphosis in polychaetes. © 2013 American Chemical Society.

  14. anNET: a tool for network-embedded thermodynamic analysis of quantitative metabolome data

    Directory of Open Access Journals (Sweden)

    Zamboni Nicola

    2008-04-01

    Full Text Available Abstract Background Compared to other omics techniques, quantitative metabolomics is still at its infancy. Complex sample preparation and analytical procedures render exact quantification extremely difficult. Furthermore, not only the actual measurement but also the subsequent interpretation of quantitative metabolome data to obtain mechanistic insights is still lacking behind the current expectations. Recently, the method of network-embedded thermodynamic (NET analysis was introduced to address some of these open issues. Building upon principles of thermodynamics, this method allows for a quality check of measured metabolite concentrations and enables to spot metabolic reactions where active regulation potentially controls metabolic flux. So far, however, widespread application of NET analysis in metabolomics labs was hindered by the absence of suitable software. Results We have developed in Matlab a generalized software called 'anNET' that affords a user-friendly implementation of the NET analysis algorithm. anNET supports the analysis of any metabolic network for which a stoichiometric model can be compiled. The model size can span from a single reaction to a complete genome-wide network reconstruction including compartments. anNET can (i test quantitative data sets for thermodynamic consistency, (ii predict metabolite concentrations beyond the actually measured data, (iii identify putative sites of active regulation in the metabolic reaction network, and (iv help in localizing errors in data sets that were found to be thermodynamically infeasible. We demonstrate the application of anNET with three published Escherichia coli metabolome data sets. Conclusion Our user-friendly and generalized implementation of the NET analysis method in the software anNET allows users to rapidly integrate quantitative metabolome data obtained from virtually any organism. We envision that use of anNET in labs working on quantitative metabolomics will provide the

  15. Quantitative analysis of bristle number in Drosophila mutants identifies genes involved in neural development

    Science.gov (United States)

    Norga, Koenraad K.; Gurganus, Marjorie C.; Dilda, Christy L.; Yamamoto, Akihiko; Lyman, Richard F.; Patel, Prajal H.; Rubin, Gerald M.; Hoskins, Roger A.; Mackay, Trudy F.; Bellen, Hugo J.

    2003-01-01

    BACKGROUND: The identification of the function of all genes that contribute to specific biological processes and complex traits is one of the major challenges in the postgenomic era. One approach is to employ forward genetic screens in genetically tractable model organisms. In Drosophila melanogaster, P element-mediated insertional mutagenesis is a versatile tool for the dissection of molecular pathways, and there is an ongoing effort to tag every gene with a P element insertion. However, the vast majority of P element insertion lines are viable and fertile as homozygotes and do not exhibit obvious phenotypic defects, perhaps because of the tendency for P elements to insert 5' of transcription units. Quantitative genetic analysis of subtle effects of P element mutations that have been induced in an isogenic background may be a highly efficient method for functional genome annotation. RESULTS: Here, we have tested the efficacy of this strategy by assessing the extent to which screening for quantitative effects of P elements on sensory bristle number can identify genes affecting neural development. We find that such quantitative screens uncover an unusually large number of genes that are known to function in neural development, as well as genes with yet uncharacterized effects on neural development, and novel loci. CONCLUSIONS: Our findings establish the use of quantitative trait analysis for functional genome annotation through forward genetics. Similar analyses of quantitative effects of P element insertions will facilitate our understanding of the genes affecting many other complex traits in Drosophila.

  16. A Colorimetric Analysis Experiment Not Requiring a Spectrophotometer: Quantitative Determination of Albumin in Powdered Egg White

    Science.gov (United States)

    Charlton, Amanda K.; Sevcik, Richard S.; Tucker, Dorie A.; Schultz, Linda D.

    2007-01-01

    A general science experiment for high school chemistry students might serve as an excellent review of the concepts of solution preparation, solubility, pH, and qualitative and quantitative analysis of a common food product. The students could learn to use safe laboratory techniques, collect and analyze data using proper scientific methodology and…

  17. A Computer Program for Calculation of Calibration Curves for Quantitative X-Ray Diffraction Analysis.

    Science.gov (United States)

    Blanchard, Frank N.

    1980-01-01

    Describes a FORTRAN IV program written to supplement a laboratory exercise dealing with quantitative x-ray diffraction analysis of mixtures of polycrystalline phases in an introductory course in x-ray diffraction. Gives an example of the use of the program and compares calculated and observed calibration data. (Author/GS)

  18. A borax fusion technique for quantitative X-ray fluorescence analysis

    NARCIS (Netherlands)

    Willigen, van J.H.H.G.; Kruidhof, H.; Dahmen, E.A.M.F.

    1971-01-01

    A borax fusion technique to cast glass discs for quantitative X-ray analysis is described in detail. The method is based on the “nonwetting” properties of a Pt/Au alloy towards molten borax, on the favourable composition of the flux and finally on the favourable form of the casting mould. The critic

  19. Mixing Qualitative and Quantitative Methods: Insights into Design and Analysis Issues

    Science.gov (United States)

    Lieber, Eli

    2009-01-01

    This article describes and discusses issues related to research design and data analysis in the mixing of qualitative and quantitative methods. It is increasingly desirable to use multiple methods in research, but questions arise as to how best to design and analyze the data generated by mixed methods projects. I offer a conceptualization for such…

  20. Quantitative Analysis of Science and Chemistry Textbooks for Indicators of Reform: A Complementary Perspective

    Science.gov (United States)

    Kahveci, Ajda

    2010-01-01

    In this study, multiple thematically based and quantitative analysis procedures were utilized to explore the effectiveness of Turkish chemistry and science textbooks in terms of their reflection of reform. The themes gender equity, questioning level, science vocabulary load, and readability level provided the conceptual framework for the analyses.…