Sample records for analysis quantitative chemical

  1. Quantitative Chemical Analysis of Enceladus' Plume Composition. (United States)

    Peter, J.; Nordheim, T.; Hofmann, A.; Hand, K. P.


    Analyses of data from Cassini's Ion and Neutral Mass Spectrometer (INMS) taken during several close flybys of Enceladus suggest the presence of a potentially habitable ocean underneath the ice shell [1,2]. Proper identification of the molecular species sampled from Enceladus' plumes by INMS is of utmost importance for characterizing the ocean's chemical composition. Data from Cassini's Cosmic Dust Analyzer (CDA) and Visible and Infrared Mapping Spectrometer (VIMS) have provided clues for possible plume chemistry, but further analysis of the INMS data is necessary [3,4]. Here we present a novel automated algorithm for comparing INMS spectra and analogue laboratory spectra to a vast library of sample spectra provided by the National Institute of Standards and Technology (NIST). The algorithm implements a Monte Carlo simulation that computes the angular similarity between the spectrum of interest and a random sample of synthetic spectra generated at arbitrary mixing ratios of molecular species. The synthetic spectra with the highest similarity scores are then averaged to produce a convergent estimate of the mixing ratio of the spectrum of interest. Here we will discuss the application of this technique to INMS and laboratory data and the implication of our preliminary results for the ocean chemistry and habitability of Enceladus. 1. Waite, J., et al., 2009. Liquid Water on Enceladus From Observations of Ammonia and 40Ar in the Plume. Nature 460, 487-498. 2. Waite, J., et al. 2017. Cassini Finds Molecular Hydrogen in the Enceladus Plume: Evidence for Hydrothermal Processes. Science 356, 155-159. 3. Postberg, F., et al., 2008. The E Ring in the Vicinity of Enceladus II: Signatures of Enceladus in the Elemental Composition of E-Ring Particles. Icarus 193(2), 438-454. 4. Brown, R., et al., 2006. Composition and Physical Properties of Enceladus' Surface. Science 311, 1425-1428.

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

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    Sanawar Mansur


    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.

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

    International Nuclear Information System (INIS)

    Foltz, R.L.


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

  4. Quantitative analysis chemistry

    International Nuclear Information System (INIS)

    Ko, Wansuk; Lee, Choongyoung; Jun, Kwangsik; Hwang, Taeksung


    This book is about quantitative analysis chemistry. It is divided into ten chapters, which deal with the basic conception of material with the meaning of analysis chemistry and SI units, chemical equilibrium, basic preparation for quantitative analysis, introduction of volumetric analysis, acid-base titration of outline and experiment examples, chelate titration, oxidation-reduction titration with introduction, titration curve, and diazotization titration, precipitation titration, electrometric titration and quantitative analysis.

  5. A chemical profiling strategy for semi-quantitative analysis of flavonoids in Ginkgo extracts. (United States)

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


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

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

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


    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. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Quantitative assessment of chemical artefacts produced by propionylation of histones prior to mass spectrometry analysis. (United States)

    Soldi, Monica; Cuomo, Alessandro; Bonaldi, Tiziana


    Histone PTMs play a crucial role in regulating chromatin structure and function, with impact on gene expression. MS is nowadays widely applied to study histone PTMs systematically. Because histones are rich in arginine and lysine, classical shot-gun approaches based on trypsin digestion are typically not employed for histone modifications mapping. Instead, different protocols of chemical derivatization of lysines in combination with trypsin have been implemented to obtain "Arg-C like" digestion products that are more suitable for LC-MS/MS analysis. Although widespread, these strategies have been recently described to cause various side reactions that result in chemical modifications prone to be misinterpreted as native histone marks. These artefacts can also interfere with the quantification process, causing errors in histone PTMs profiling. The work of Paternoster V. et al. is a quantitative assessment of methyl-esterification and other side reactions occurring on histones after chemical derivatization of lysines with propionic anhydride [Proteomics 2016, 16, 2059-2063]. The authors estimate the effect of different solvents, incubation times, and pH on the extent of these side reactions. The results collected indicate that the replacement of methanol with isopropanol or ACN not only blocks methyl-esterification, but also significantly reduces other undesired unspecific reactions. Carefully titrating the pH after propionic anhydride addition is another way to keep methyl-esterification under control. Overall, the authors describe a set of experimental conditions that allow reducing the generation of various artefacts during histone propionylation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Qualitative and quantitative analysis of chemical constituents of Ptychopetalum olacoides Benth. (United States)

    Tian, Xiao; Guo, Sen; He, Kan; Roller, Marc; Yang, Meiqi; Liu, Qingchao; Zhang, Li; Ho, Chi-Tang; Bai, Naisheng


    Ptychopetalum olacoides is a folk medicinal plant for health care in market, especially in Brazil. Fourteen known compounds were isolated from P. olacoides and their chemical structures were elucidated by extensive spectroscopic data, including 1D NMR, 2D NMR, UV, IR and HR-ESI-MS. The 14 known compounds were identified as N-trans-feruloyl-3,5-dihydroxyindolin-2-one (1), magnoflorine (2), menisperine (3), 4-coumaroylserotonin (4), moschamine (5), luteolin (6), 4'-methoxyluteolin (7), 3-methoxyluteolin (8), 3, 7-dimethoxyluteolin (9), caffeic acid (10), ferulic acid (11), vanillic acid (12), syringic acid (13) and ginsenoside Re (14). To our knowledge, compounds (1-6, 13-14) were isolated from the plant for the first time. Additionally, quantitative analysis results indicated that calibration equations of compounds (1-3, 6, 9, 11-13) exhibited good linear regressions within the test ranges (R 2  ≥ 0.9990) and magnoflorine and menisperine were the major constituents in the barks of P. olacoides. The contents of magnoflorine and menisperine accounted for 75.96% of all analytes. However, the content of phenolic components was smaller and the highest content was no more than 1.04 mg/g. Collectively, these results suggested that alkaloids are the dominant substances in P. olacoides, which can make a difference for the quality control and further use of P. olacoides.

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

    International Nuclear Information System (INIS)

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


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

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

    International Nuclear Information System (INIS)

    Deves, Guillaume


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

  11. Quantitative Hydrocarbon Surface Analysis (United States)

    Douglas, Vonnie M.


    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.

  12. Chemical comparison of Tripterygium wilfordii and Tripterygium hypoglaucum based on quantitative analysis and chemometrics methods. (United States)

    Guo, Long; Duan, Li; Liu, Ke; Liu, E-Hu; Li, Ping


    Tripterygium wilfordii (T. wilfordii) and Tripterygium hypoglaucum (T. hypoglaucum), two commonly used Chinese herbal medicines derived from Tripterygium genus, have been widely used for the treatment of rheumatoid arthritis and other related inflammatory diseases in clinical therapy. In the present study, a rapid resolution liquid chromatography/electrospray ionization tandem mass spectrometry (RRLC-ESI-MS(n)) method has been developed and validated for simultaneous determination of 19 bioactive compounds including four catechins, three sesquiterpene alkaloids, four diterpenoids, and eight triterpenoids in these two similar herbs. The method validation results indicated that the developed method had desirable specificity, linearity, precision and accuracy. Quantitative analysis results showed that there were significant differences in the content of different types of compounds in T. wilfordii and T. hypoglaucum. Moreover, chemometrics methods such as one-way ANOVA, principal component analysis (PCA) and hierarchical clustering analysis (HCA) were performed to compare and discriminate the two Tripterygium herbs based on the quantitative data of analytes, and it was proven straightforward and reliable to differentiate T. wilfordii and T. hypoglaucum samples from different origins. In conclusion, simultaneous quantification of multiple-active component by RRLC-ESI-MS(n) coupled with chemometrics analysis could be a well-acceptable strategy to compare and evaluate the quality of T. wilfordii and T. hypoglaucum. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Quantitative chemical analysis for the standardization of copaiba oil by high resolution gas chromatography

    International Nuclear Information System (INIS)

    Tappin, Marcelo R.R.; Pereira, Jislaine F.G.; Lima, Lucilene A.; Siani, Antonio C.; Mazzei, Jose L.; Ramos, Monica F.S.


    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)

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

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    Hau-Yee Fung


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


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


    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 acetonit...

  16. Quantitative analysis of lipid droplet fusion: inefficient steady state fusion but rapid stimulation by chemical fusogens.

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    Samantha Murphy


    Full Text Available Lipid droplets (LDs are dynamic cytoplasmic organelles containing neutral lipids and bounded by a phospholipid monolayer. Previous studies have suggested that LDs can undergo constitutive homotypic fusion, a process linked to the inhibitory effects of fatty acids on glucose transporter trafficking. Using strict quantitative criteria for LD fusion together with refined light microscopic methods and real-time analysis, we now show that LDs in diverse cell types show low constitutive fusogenic activity under normal growth conditions. To investigate the possible modulation of LD fusion, we screened for agents that can trigger fusion. A number of pharmacological agents caused homotypic fusion of lipid droplets in a variety of cell types. This provided a novel cell system to study rapid regulated fusion between homotypic phospholipid monolayers. LD fusion involved an initial step in which the two adjacent membranes became continuous (<10 s, followed by the slower merging (100 s of the neutral lipid cores to produce a single spherical LD. These fusion events were accompanied by changes to the LD surface organization. Measurements of LDs undergoing homotypic fusion showed that fused LDs maintained their initial volume, with a corresponding decrease in surface area suggesting rapid removal of membrane from the fused LD. This study provides estimates for the level of constitutive LD fusion in cells and questions the role of LD fusion in vivo. In addition, it highlights the extent of LD restructuring which occurs when homotypic LD fusion is triggered in a variety of cell types.

  17. 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: [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)


    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

  18. 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.


    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,

  19. 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


    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,

  20. 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: [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)


    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.

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

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    Shao Qing


    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.

  2. Quantitative investment analysis

    CERN Document Server

    DeFusco, Richard


    In the "Second Edition" of "Quantitative Investment Analysis," financial experts Richard DeFusco, Dennis McLeavey, Jerald Pinto, and David Runkle outline the tools and techniques needed to understand and apply quantitative methods to today's investment process.

  3. Rapid identification and quantitative analysis of chemical constituents of Gentiana veitchiorum by UHPLC-PDA-QTOF-MS

    Directory of Open Access Journals (Sweden)

    Shan Li

    Full Text Available ABSTRACT Gentiana veitchiorum Hemsl., Gentianaceae, a traditional Tibetan medicine, was used for the treatment of liver jaundice with damp-heat pathogen, as well as for headache and chronic pharyngitis. A rapid ultra-performance liquid chromatography, photodiode array detector, quadrupole time-of-flight mass spectrometry method was developed for the fast and accurate identification and quantification of the chemical constituents of G. veitchiorum. In fact, eighteen compounds were detected and identified on the basis of their mass spectra, fragment characteristics and comparison with published data. Especially, the MS fragmentation pathways of iridoid glycosides and flavone C-glycosides were illustrated. Five compounds among them were quantified by UHPLC-PDA, including swertiamarin, gentiopicroside, sweroside, isoorientin, and isovitexin. The proposed method was then validated based on the analyses of linearity, accuracy, precision, and recovery. The overall recoveries for the five analytes ranged from 96.54% to 100.81%, with RSD from 1.05% to 1.82%. In addition, ten batches of G. veitchiorum from different areas were also analyzed. The developed method was rapid and reliable for both identification and quantification of the chemical constituents of G. veitchiorum, especially for simultaneous qualitative and quantitative analysis of iridoid glycosides and flavone C-glycosides.

  4. Physico-chemical studies of laser-induced plasmas for quantitative analysis of materials in nuclear systems

    International Nuclear Information System (INIS)

    Saad, Rawad


    Laser Induced Breakdown Spectroscopy (LIBS) is a multi-elemental analysis technique very well suited for analysis in hostile environments particularly in the nuclear industry. Quantitative measurements are frequently performed on liquid or solid samples but in some cases, atypical signal behaviors were observed in the LIBS experiment. To avoid or minimize any impact on measurement accuracy, it is necessary to improve the understanding of these phenomena. In the framework of a three-year PhD thesis, the objective was to study the chemical reactions occurring within laser-generated plasma in a LIBS analysis. Experiments on a model material (pure aluminum sample) highlighted the dynamics of molecular recombination according to different ambient gas. The temporal evolution of Al I atomic emission lines and molecular bands of AlO and AlN were studied. A collisional excitation effect was identified for a peculiar electronic energy level of aluminum in the case of a nitrogen atmosphere. This effect disappeared in air. The aluminum plasma was also imaged during its expansion under the different atmospheres in order to localize the areas in which the molecular recombination process takes place. Spectacular particle projections have been highlighted. (author) [fr

  5. Aromatic profile of ciders by chemical quantitative, gas chromatography-olfactometry, and sensory analysis. (United States)

    Antón, María José; Suárez Valles, Belén; García Hevia, Ana; Picinelli Lobo, Anna


    Nine samples of Asturias cider have been analyzed for volatile, olfactometric, and sensorial profiles. The aromatic composition was mainly constituted by fusel alcohols and ethyl esters. Among the minor volatile compounds, fatty acids, volatile phenols, and alcohols were the main components. The olfactometric analysis revealed the existence of 55 aromatic areas, exhibiting a wide range of intensities. Components like amyl alcohols, 2-phenylethanol, ethyl esters such as 2-methylbutyrate, hexanoate and octanoate, hexanoic and octanoic acids 2-phenylethyl acetate, 4-ethyl guaiacol, and 4-ethyl phenol could be considered as being part of the structure of cider aroma. The extract dilution analysis of one extract identified 2 volatile phenols (4-ethyl guaiacol and 4-ethyl phenol) among the most powerful odorants in cider. These components gave significant correlations with the sensory attributes sweet, spicy, and lees. © 2013 Institute of Food Technologists®

  6. Quantitative chemical analysis of lead in canned chillis by spectrophotometric and nuclear techniques

    International Nuclear Information System (INIS)

    Sanchez Paz, L.A.


    The objectives of this work are the quantification of lead contents in two types of canned chilli of three trademarks, determining its inside of maximum permissible level (2 ppm), comparing moreover two trademarks that have flask and canned presentation for to determine the filling effect in the final content of lead, moreover make a comparative study of the techniques using on base to exactitude, linearity and sensibility. The techniques used were atomic absorption spectrophotometry, plasma emission spectrometry and x-ray fluorescence. The preliminary treatment of the samples was by calcination, continued of the ashes dissolution in acid medium, for later gauge a determinate volume for analyze by atomic absorption and plasma emission. For the analysis by x-ray fluorescence, after solubilyzing ashes, its precipitate the lead with PCDA (Pyrrolidine carbodithioic ammonium acid) then its filtered, filter paper is dried and counted directly. The standards preparation is made following the same procedure as in samples using lead titrisol solution. For each technique the recovery percent is determined by the addition of enough know amount. For each technique calibration curves are plotted been determined that the three are lineal in the established range of work. The recovery percent in three cases is superior to ninety five percent. By means of a variance analysis it was determined that lead contain in samples do not exceed two ppm., and the lead content in canned chillis is superior to contained in glass containers (1.7, 0.4 ppm respectively). X-ray fluorescence analysis is different to the attained results by the other two techniques due to its sensibility is less. The most advisable techniques for this kind of analysis are atomic absorption spectrophotometry and plasma emission. (Author)

  7. Quantitative chemical-structure evaluation using atom probe tomography: Short-range order analysis of Fe-Al. (United States)

    Marceau, R K W; Ceguerra, A V; Breen, A J; Raabe, D; Ringer, S P


    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 D03 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. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Label-free imaging and quantitative chemical analysis of Alzheimer's disease brain samples with multimodal multiphoton nonlinear optical microspectroscopy (United States)

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


    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.

  9. Chemical Security Analysis Center (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...

  10. Quantitative analysis of 'calanchi (United States)

    Agnesi, Valerio; Cappadonia, Chiara; Conoscenti, Christian; Costanzo, Dario; Rotigliano, Edoardo


    Three years (2006 - 2009) of monitoring data from two calanchi sites located in the western Sicilian Appennines are analyzed and discussed: the data comes from two networks of erosion pins and a rainfall gauge station. The aim of the present research is to quantitatively analyze the effects of erosion by water and to investigate their relationships with rainfall trends and specific properties of the two calanchi fronts. Each of the sites was equipped with a grid of randomly distributed erosion pins, made of 41 nodes for the "Catalfimo" site, and 13 nodes for the "Ottosalme" site (in light of the general homogeneity of its geomorphologic conditions); the erosion pins consist in 2 cm graded iron stakes, 100 cm long, with a section having a diameter of 1.6 cm. Repeated readings at the erosion pins allowed to estimate point topographic height variations; a total number of 21 surveys have been made remotely by acquiring high resolution photographs from a fixed view point. Since the two calanchi sites are very close each other (some hundred meters), a single rainfall gauge station was installed, assuming a strict climatic homogeneity of the investigated area. Rainfall data have been processed to derive the rain erosivity index signal, detecting a total number of 27 erosive events. Despite the close distance between the two sites, because of a different geologic setting, the calanchi fronts are characterized by the outcropping of different levels of the same formation (Terravecchia fm., Middle-Late Miocene); as a consequence, both mineralogical, textural and geotechnical (index) properties, as well as the topographic and geomorphologic characteristics, change. Therefore, in order to define the "framework" in which the two erosion pin grids have been installed, 40 samples of rock have been analyzed, and a geomorphologic detailed survey has been carried out; in particular, plasticity index, liquid limit, carbonate, pH, granulometric fractions and their mineralogic

  11. Quantitative analysis from limited sampling: influence of the chemical composition of apatites on their resistance to irradiation damage

    International Nuclear Information System (INIS)

    Ribet, I.; Petit, J.C.; CEA Cadarache, 13 - Saint-Paul-lez-Durance


    Apatites are investigated as possible high performance radioactive waste matrices for specific actinides. In this paper, we have quantified the influence of the chemical composition of apatites on their fission-track annealing behaviour. We aimed to evaluate the capability of apatites to self-anneal high densities of radiation damages produced during disposal. The thermal annealing kinetics, at 280 deg. C, of induced fission tracks has been determined for six different apatite compositions. We show that the chemical composition of apatites is a critical parameter with respect to their annealing behaviour. A mathematical treatment of the data, based upon the methodology of optimum design of experiments, allowed the quantification of the role of substitution for two major elements, of the apatite structure (Ca, P), for chlorine and for the two groups of minor elements, actinides (U+Th) and lanthanides (La+Ce+Y), which are relevant in the nuclear waste disposal context. A high actinide content enhances the annealing of fission-tracks in apatites, which is a very favourable feature of these minerals as radioactive waste matrices. This work also points to a new strategy for the best use of information provided by geological samples. In particular, the mathematical methodology proposed here allows, first, to evaluate the 'quality' of the information obtained and, second, to improve it by a proper choice of additional samples to investigate. (authors)

  12. Quantitative Analysis of Renogram

    International Nuclear Information System (INIS)

    Choi, Keun Chul


    are useful for the differentiation of various renal diseases, however, qualitative analysis of the renogram with one or two parameters is not accurate. 3) In bilateral non-functioning kidney groups, a positive correlation between anemia and nitrogen retention was observed, although the quantitative assessment of the degree of non-functioning was impossible.

  13. Chemical Analysis Facility (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...

  14. Quantitative Risk Analysis

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  15. Quantitative analysis in megageomorphology (United States)

    Mayer, L.


    Megageomorphology is the study of regional topographic features and their relations to independent geomorphic variables that operate at the regional scale. These independent variables can be classified as either tectonic or climatic in nature. Quantitative megageomorphology stresses the causal relations between plate tectonic factors and landscape features or correlations between climatic factors and geomorphic processes. In addition, the cumulative effects of tectonics and climate on landscape evolution that simultaneously operate in a complex system of energy transfer is of interst. Regional topographic differentiation, say between continents and ocean floors, is largely the result of the different densities and density contrasts within the oceanic and continental lithosphere and their isostatic consequences. Regional tectonic processes that alter these lithospheric characteristics include rifting, collision, subduction, transpression and transtension.

  16. Quantitative Hazard and Risk Analysis


    Geza Tarnai; Balazs Saghi; Izabela Krbilova


    In this paper a quantitative method for hazard and risk analysis is discussed. The method was developed and introduced for the allocation of safety requirements to the functions of a railway signaling remote control system.

  17. Monotowns: A Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Shastitko Andrei


    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’.

  18. Quantitative mineral salt evaluation in the calcaneous bone using computed tomography, 125I-photon absorption and chemical analysis to compare the value of the individual methods

    International Nuclear Information System (INIS)

    Hitzler, H.J.


    It was the aim of the study described here to verify the accuracy of two different methods for the quantitative evaluation of mineral salts, which were the 125I-photon absorption technique on the one hand and wholebody CT on the other hand. For this purpose, post-mortem examinations of 31 calcaneous bones were carried out to evaluate their individual mineral salt contents in vitro using either of the above-mentioned methods. The results obtained were subsequently contrasted with calcium concentrations determined by chemical analysis. A comparison of the individual mineral salt evaluations with the results from calcium analyses pointed to a highly significant correlation (p=0.001) for both methods under investigation. The same held for the correlation of findings from CT and the 125I-hydroxylapatite technique, where the level of significance was also p=0.001. The above statements must, however, be modified in as much as the mineral salt values measured by CT were consistently lower than those obtained on the basis of 125I-photon absorption. These deviations are chiefly attributable to the fact that the values provided by CT are more susceptible to influences from the fat contained in the bones. In 125I-photon absorption a special formula may be derived to allow for the bias occurring here, provided that the composition of the bone is known. To summarise, the relative advantages and drawbacks of CT and 125I-photon absorption are carefully balanced. Mineral salt evaluations by CT permit incipient losses to be ascertained even in the trunk. The 125I-photon absorption technique would appear to be the obvious method for any kind of follow-up examination in the peripheral skeleton, as it is easily reproducible and radiation exposure can be kept to minimum. (TRV) [de

  19. Chemical fingerprinting and quantitative constituent analysis of Siwu decoction categorized formulae by UPLC-QTOF/MS/MS and HPLC-DAD (United States)


    Background Siwu decoction categorized formulae (SWDCF) are widely used for treating gynecological diseases. This study aims to elucidate the differences of bioactive constituents in SWDCF by ultra-high performance liquid chromatography coupled with time-of-flight mass spectrometry (UPLC - QTOF - MS /MS) and HPLC-DAD. Methods An efficient method based on UPLC - QTOF - MS /MS was developed for identifying the chemical profiles of SWDCF. HPLC-DAD method was used for quantifying seven chemical markers in SWDCF. Results Eighty four components were identified or characterized, including ten organic acids, thirty glycosides (monoterpene or iridoid or phenylpropanoids glycosides), fourteen lactones, eighteen flavonoids, and eleven alkaloids in the complex system. The datasets of tR-m/z pairs, ion intensities and sample codes were processed with supervised orthogonal partial least squared discriminant analysis to compare these decoction samples. After a clear classification was established, OPLS-DA was performed and 16 common components with relative quantity in SWDCF samples were determined. Gallic acid, protocatechuic acid, vanillic acid, caffeic acid, paeoniflorin, ferulic acid, and senkyunolide I were selected as the chemical markers to identify SWDCF by HPLC-DAD. Conclusion The chemical profiles with 84 components in SWDCF, including monoterpene glycosides, acetophenones, galloyl glucoses, even some isomers in the complex system were characterized by UPLC–QTOF–MS/MS. PMID:23453004

  20. Chemical process hazards analysis

    Energy Technology Data Exchange (ETDEWEB)



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

  1. 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.


    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).

  2. Chemical and quantitive study of hepatotoxins from fresh water ...

    African Journals Online (AJOL)



    Jul 22, 2015 ... African Journal of Biotechnology. Full Length Research Paper. Chemical and quantitive study of hepatotoxins from fresh water cyanobacteria on vertebrate animals. Al-layl, K.* and Mutwally, H. Biology Department, Faculty of Applied Sciences, Umm Al-Qura University, ...

  3. Quantitative pulsed eddy current analysis

    International Nuclear Information System (INIS)

    Morris, R.A.


    The potential of pulsed eddy current testing for furnishing more information than conventional single-frequency eddy current methods has been known for some time. However, a fundamental problem has been analyzing the pulse shape with sufficient precision to produce accurate quantitative results. Accordingly, the primary goal of this investigation was to: demonstrate ways of digitizing the short pulses encountered in PEC testing, and to develop empirical analysis techniques that would predict some of the parameters (e.g., depth) of simple types of defect. This report describes a digitizing technique using a computer and either a conventional nuclear ADC or a fast transient analyzer; the computer software used to collect and analyze pulses; and some of the results obtained. (U.S.)

  4. Objective, Quantitative, Data-Driven Assessment of Chemical Probes. (United States)

    Antolin, Albert A; Tym, Joseph E; Komianou, Angeliki; Collins, Ian; Workman, Paul; Al-Lazikani, Bissan


    Chemical probes are essential tools for understanding biological systems and for target validation, yet selecting probes for biomedical research is rarely based on objective assessment of all potential compounds. Here, we describe the Probe Miner: Chemical Probes Objective Assessment resource, capitalizing on the plethora of public medicinal chemistry data to empower quantitative, objective, data-driven evaluation of chemical probes. We assess >1.8 million compounds for their suitability as chemical tools against 2,220 human targets and dissect the biases and limitations encountered. Probe Miner represents a valuable resource to aid the identification of potential chemical probes, particularly when used alongside expert curation. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  5. Chemical characterization of the aroma of Grenache rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies. (United States)

    Ferreira, Vicente; Ortín, Natalia; Escudero, Ana; López, Ricardo; Cacho, Juan


    The aroma of a Grenache rosé wine from Calatayud (Zaragoza, Spain) has been elucidated following a strategy consisting of an aroma extract dilution analysis (AEDA), followed by the quantitative analysis of the main odorants and the determination of odor activities values (OAVs) and, finally, by a series of reconstitution and omission tests with synthetic aroma models. Thirty-eight aroma compounds were found in the AEDA study, 35 of which were identified. Twenty-one compounds were at concentrations higher than their corresponding odor thresholds. An aroma model prepared by mixing the 24 compounds with OAV > 0.5 in a synthetic wine showed a high qualitative similarity with the aroma of the rosé wine. The addition of compounds with OAV 10 was very different from that of the wine. Omission tests revealed that the most important odorant of this Grenache rosé wine was 3-mercapto-1-hexanol, with a deep impact on the wine fruity and citric notes. The synergic action of Furaneol and homofuraneol also had an important impact on wine aroma, particularly in its fruity and caramel notes. The omission of beta-damascenone, which had the second highest OAV, caused only a slight decrease on the intensity of the aroma model. Still weaker was the sensory effect caused by the omission of 10 other compounds, such as fatty acids and their ethyl esters, isoamyl acetate, and higher alcohols.

  6. Quantitative interactome analysis reveals a chemoresistant edgotype. (United States)

    Chavez, Juan D; Schweppe, Devin K; Eng, Jimmy K; Zheng, Chunxiang; Taipale, Alex; Zhang, Yiyi; Takara, Kohji; Bruce, James E


    Chemoresistance is a common mode of therapy failure for many cancers. Tumours develop resistance to chemotherapeutics through a variety of mechanisms, with proteins serving pivotal roles. Changes in protein conformations and interactions affect the cellular response to environmental conditions contributing to the development of new phenotypes. The ability to understand how protein interaction networks adapt to yield new function or alter phenotype is limited by the inability to determine structural and protein interaction changes on a proteomic scale. Here, chemical crosslinking and mass spectrometry were employed to quantify changes in protein structures and interactions in multidrug-resistant human carcinoma cells. Quantitative analysis of the largest crosslinking-derived, protein interaction network comprising 1,391 crosslinked peptides allows for 'edgotype' analysis in a cell model of chemoresistance. We detect consistent changes to protein interactions and structures, including those involving cytokeratins, topoisomerase-2-alpha, and post-translationally modified histones, which correlate with a chemoresistant phenotype.

  7. Modulation of chemical dermal absorption by 14 natural products: a quantitative structure permeation analysis of components often found in topical preparations. (United States)

    Muhammad, Faqir; Jaberi-Douraki, Majid; de Sousa, Damião Pergentino; Riviere, Jim E


    A large number of cosmetics and topical pharmaceuticals contain compounds of natural origin. There is a rising concern if these compounds can interact with the activity of other topically applied components in these formulations. The current study demonstrates modulation of dermal absorption of model components often found in topical preparations ( 14 C caffeine and 14 C salicylic acid) by a set of 14 compounds of natural origin using a flow through in vitro porcine skin diffusion system. The parameters of flux and permeability were calculated and quantitative structure permeation relationship (QSPR) analysis conducted on different molecular descriptors of modulator compounds. Terpinyl acetate was the greatest permeability/flux enhancer for caffeine followed by s-perillyl acetate and limonene 1,2-epoxide. The permeability/flux of salicylic acid was highest with hydroxycitronellal followed by limonene 1,2-epoxide and s-perillyl acetate. The optimum descriptors using stepwise regression analysis for predicting additive modulation on penetrant permeability/flux were polar surface area, log P for caffeine and Henry's Law constant, number of freely rotatable bonds, and water solubility for salicylic acid. In parallel with the experimental techniques, a novel mathematical model was developed to estimate the permeability coefficients and improve the stepwise regression analysis for assessing modulator effects. The r 2 values significantly increased for multicomponent QSPR models. Notably, limonene 1,2-epoxide and s-perillyl acetate were excellent enhancers for both caffeine and salicylic acid. These results confirm that some natural products incorporated into topical formulations will enhance absorption of other components which could affect their safety and efficacy profiles.

  8. Quantitative standard-less XRF analysis

    International Nuclear Information System (INIS)

    Ulitzka, S.


    Full text: For most analytical tasks in the mining and associated industries matrix-matched calibrations are used for the monitoring of ore grades and process control. In general, such calibrations are product specific (iron ore, bauxite, alumina, mineral sands, cement etc.) and apply to a relatively narrow concentration range but give the best precision and accuracy for those materials. A wide range of CRMs is available and for less common materials synthetic standards can be made up from 'pure' chemicals. At times, analysis of materials with varying matrices (powders, scales, fly ash, alloys, polymers, liquors, etc.) and diverse physical shapes (non-flat, metal drillings, thin layers on substrates etc.) is required that could also contain elements which are not part of a specific calibration. A qualitative analysis can provide information about the presence of certain elements and the relative intensities of element peaks in a scan can give a rough idea about their concentrations. More often however, quantitative values are required. The paper will look into the basics of quantitative standardless analysis and show results for some well-defined CRMs. Copyright (2002) Australian X-ray Analytical Association Inc

  9. A quantitative infrared spectral library of vapor phase chemicals: applications to environmental monitoring and homeland defense (United States)

    Sharpe, Steven W.; Johnson, Timothy J.; Sams, Robert L.


    The utility of infrared spectroscopy for monitoring and early warning of accidental or deliberate chemical releases to the atmosphere is well documented. Regardless of the monitoring technique (open-path or extractive) or weather the spectrometer is passive or active (Fourier transform or lidar) a high quality, quantitative reference library is essential for meaningful interpretation of the data. Pacific Northwest National Laboratory through the support of the Department of Energy has been building a library of pure, vapor phase chemical species for the last 4 years. This infrared spectral library currently contains over 300 chemicals and is expected to grow to over 400 chemicals before completion. The library spectra are based on a statistical fit to many spectra at different concentrations, allowing for rigorous error analysis. The contents of the library are focused on atmospheric pollutants, naturally occurring chemicals, toxic industrial chemicals and chemicals specifically designed to do damage. Applications, limitations and technical details of the spectral library will be discussed.

  10. 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)


    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.

  11. 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


    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).

  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: [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


    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 mapping of chemical compositions with MRI using compressed sensing. (United States)

    von Harbou, Erik; Fabich, Hilary T; Benning, Martin; Tayler, Alexander B; Sederman, Andrew J; Gladden, Lynn F; Holland, Daniel J


    In this work, a magnetic resonance (MR) imaging method for accelerating the acquisition time of two dimensional concentration maps of different chemical species in mixtures by the use of compressed sensing (CS) is presented. Whilst 2D-concentration maps with a high spatial resolution are prohibitively time-consuming to acquire using full k-space sampling techniques, CS enables the reconstruction of quantitative concentration maps from sub-sampled k-space data. First, the method was tested by reconstructing simulated data. Then, the CS algorithm was used to reconstruct concentration maps of binary mixtures of 1,4-dioxane and cyclooctane in different samples with a field-of-view of 22mm and a spatial resolution of 344μm×344μm. Spiral based trajectories were used as sampling schemes. For the data acquisition, eight scans with slightly different trajectories were applied resulting in a total acquisition time of about 8min. In contrast, a conventional chemical shift imaging experiment at the same resolution would require about 17h. To get quantitative results, a careful weighting of the regularisation parameter (via the L-curve approach) or contrast-enhancing Bregman iterations are applied for the reconstruction of the concentration maps. Both approaches yield relative errors of the concentration map of less than 2mol-% without any calibration prior to the measurement. The accuracy of the reconstructed concentration maps deteriorates when the reconstruction model is biased by systematic errors such as large inhomogeneities in the static magnetic field. The presented method is a powerful tool for the fast acquisition of concentration maps that can provide valuable information for the investigation of many phenomena in chemical engineering applications. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

  14. 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


    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.

  15. Chemical fingerprint analysis and quantitative determination of steroidal compounds from Dioscorea villosa, Dioscorea species and dietary supplements using UHPLC-ELSD. (United States)

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


    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. Copyright © 2013 John Wiley & Sons, Ltd.

  16. Chemical laser systems analysis

    Energy Technology Data Exchange (ETDEWEB)

    Doughty, J.R.


    This paper presents a means by which the chemical laser device weight can be minimized with respect to its performance and the device power minimized with respect to the target range. Chemical laser performance parameters such as the specific power and nozzle power flux are then used in conjunction with weight and propagation models to determine system effectiveness. A measure of merit is given by which systems can be contrasted. An illustrative example is included in which DF and Iodine laser systems are compared for an airborne scenario. 14 references.

  17. Chemical analysis report 2014

    International Nuclear Information System (INIS)

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


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

  18. Chemical analysis report 2015

    International Nuclear Information System (INIS)


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

  19. Probabilistic risk analysis in chemical engineering

    International Nuclear Information System (INIS)

    Schmalz, F.


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

  20. Quantitative image analysis of synovial tissue

    NARCIS (Netherlands)

    van der Hall, Pascal O.; Kraan, Maarten C.; Tak, Paul Peter


    Quantitative image analysis is a form of imaging that includes microscopic histological quantification, video microscopy, image analysis, and image processing. Hallmarks are the generation of reliable, reproducible, and efficient measurements via strict calibration and step-by-step control of the

  1. Quantitative metrics for assessment of chemical image quality and spatial resolution. (United States)

    Kertesz, Vilmos; Cahill, John F; Van Berkel, Gary J


    Currently objective/quantitative descriptions of the quality and spatial resolution of mass spectrometry derived chemical images are not standardized. Development of these standardized metrics is required to objectively describe the chemical imaging capabilities of existing and/or new mass spectrometry imaging technologies. Such metrics would allow unbiased judgment of intra-laboratory advancement and/or inter-laboratory comparison for these technologies if used together with standardized surfaces. Two image metrics, viz., "chemical image contrast" (ChemIC) based on signal-to-noise related statistical measures on chemical image pixels and "corrected resolving power factor" (cRPF) constructed from statistical analysis of mass-to-charge chronograms across features of interest in an image, were developed. These metrics, quantifying chemical image quality and spatial resolution, respectively, were used to evaluate chemical images of a model photoresist patterned surface collected using a laser ablation/liquid vortex capture mass spectrometry imaging system under different instrument operational parameters. The calculated ChemIC and cRPF metrics determined in an unbiased fashion the relative ranking of chemical image quality obtained with the laser ablation/liquid vortex capture mass spectrometry imaging system. These rankings were used to show that both chemical image contrast and spatial resolution deteriorated with increasing surface scan speed, increased lane spacing and decreasing size of surface features. ChemIC and cRPF, respectively, were developed and successfully applied for the objective description of chemical image quality and spatial resolution of chemical images collected from model surfaces using a laser ablation/liquid vortex capture mass spectrometry imaging system. Published in 2016. This article is a U.S. Government work and is in the public domain in the USA. Published in 2016. This article is a U.S. Government work and is in the public domain in

  2. Methods in quantitative image analysis. (United States)

    Oberholzer, M; Ostreicher, M; Christen, H; Brühlmann, M


    The main steps of image analysis are image capturing, image storage (compression), correcting imaging defects (e.g. non-uniform illumination, electronic-noise, glare effect), image enhancement, segmentation of objects in the image and image measurements. Digitisation is made by a camera. The most modern types include a frame-grabber, converting the analog-to-digital signal into digital (numerical) information. The numerical information consists of the grey values describing the brightness of every point within the image, named a pixel. The information is stored in bits. Eight bits are summarised in one byte. Therefore, grey values can have a value between 0 and 256 (2(8)). The human eye seems to be quite content with a display of 5-bit images (corresponding to 64 different grey values). In a digitised image, the pixel grey values can vary within regions that are uniform in the original scene: the image is noisy. The noise is mainly manifested in the background of the image. For an optimal discrimination between different objects or features in an image, uniformity of illumination in the whole image is required. These defects can be minimised by shading correction [subtraction of a background (white) image from the original image, pixel per pixel, or division of the original image by the background image]. The brightness of an image represented by its grey values can be analysed for every single pixel or for a group of pixels. The most frequently used pixel-based image descriptors are optical density, integrated optical density, the histogram of the grey values, mean grey value and entropy. The distribution of the grey values existing within an image is one of the most important characteristics of the image. However, the histogram gives no information about the texture of the image. The simplest way to improve the contrast of an image is to expand the brightness scale by spreading the histogram out to the full available range. Rules for transforming the grey value

  3. 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)


    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.

  4. Microprocessors in automatic chemical analysis

    International Nuclear Information System (INIS)

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


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

  5. Quantiprot - a Python package for quantitative analysis of protein sequences. (United States)

    Konopka, Bogumił M; Marciniak, Marta; Dyrka, Witold


    The field of protein sequence analysis is dominated by tools rooted in substitution matrices and alignments. A complementary approach is provided by methods of quantitative characterization. A major advantage of the approach is that quantitative properties defines a multidimensional solution space, where sequences can be related to each other and differences can be meaningfully interpreted. Quantiprot is a software package in Python, which provides a simple and consistent interface to multiple methods for quantitative characterization of protein sequences. The package can be used to calculate dozens of characteristics directly from sequences or using physico-chemical properties of amino acids. Besides basic measures, Quantiprot performs quantitative analysis of recurrence and determinism in the sequence, calculates distribution of n-grams and computes the Zipf's law coefficient. We propose three main fields of application of the Quantiprot package. First, quantitative characteristics can be used in alignment-free similarity searches, and in clustering of large and/or divergent sequence sets. Second, a feature space defined by quantitative properties can be used in comparative studies of protein families and organisms. Third, the feature space can be used for evaluating generative models, where large number of sequences generated by the model can be compared to actually observed sequences.

  6. Quantitative X-ray analysis of pigments

    International Nuclear Information System (INIS)

    Araujo, M. Marrocos de


    The 'matrix-flushing' and the 'adiabatic principle' methods have been applied for the quantitative analysis through X-ray diffraction patterns of pigments and extenders mixtures, frequently used in paint industry. The results obtained have shown the usefulness of these methods, but still ask for improving their accuracy. (Author) [pt

  7. Quantitative possibility analysis. Present status in ESCA

    International Nuclear Information System (INIS)

    Brion, D.


    A short review of the recent developments in quantification of X-ray photoelectron spectroscopy or ESCA is presented. The basic equations are reminded. Each involved parameter (photoionisation, inelastic mean free paths, 'response function' of the instruments, intensity measurement) is separately discussed in relation with the accuracy and the precision of the method. Other topics are considered such as roughness, surface contamination, matrix effect and inhomogeneous composition. Some aspects of the quantitative ESCA analysis and AES analysis are compared [fr

  8. Quantitative ADF STEM: acquisition, analysis and interpretation

    International Nuclear Information System (INIS)

    Jones, L


    Quantitative annular dark-field in the scanning transmission electron microscope (ADF STEM), where image intensities are used to provide composition and thickness measurements, has enjoyed a renaissance during the last decade. Now in a post aberration-correction era many aspects of the technique are being revisited. Here the recent progress and emerging best-practice for such aberration corrected quantitative ADF STEM is discussed including issues relating to proper acquisition of experimental data and its calibration, approaches for data analysis, the utility of such data, its interpretation and limitations. (paper)

  9. Analytical robustness of quantitative NIR chemical imaging for Islamic paper characterization (United States)

    Mahgoub, Hend; Gilchrist, John R.; Fearn, Thomas; Strlič, Matija


    Recently, spectral imaging techniques such as Multispectral (MSI) and Hyperspectral Imaging (HSI) have gained importance in the field of heritage conservation. This paper explores the analytical robustness of quantitative chemical imaging for Islamic paper characterization by focusing on the effect of different measurement and processing parameters, i.e. acquisition conditions and calibration on the accuracy of the collected spectral data. This will provide a better understanding of the technique that can provide a measure of change in collections through imaging. For the quantitative model, special calibration target was devised using 105 samples from a well-characterized reference Islamic paper collection. Two material properties were of interest: starch sizing and cellulose degree of polymerization (DP). Multivariate data analysis methods were used to develop discrimination and regression models which were used as an evaluation methodology for the metrology of quantitative NIR chemical imaging. Spectral data were collected using a pushbroom HSI scanner (Gilden Photonics Ltd) in the 1000-2500 nm range with a spectral resolution of 6.3 nm using a mirror scanning setup and halogen illumination. Data were acquired at different measurement conditions and acquisition parameters. Preliminary results showed the potential of the evaluation methodology to show that measurement parameters such as the use of different lenses and different scanning backgrounds may not have a great influence on the quantitative results. Moreover, the evaluation methodology allowed for the selection of the best pre-treatment method to be applied to the data.

  10. Multianalyte chemical identification and quantitation using a single radio frequency identification sensor. (United States)

    Potyrailo, Radislav A; Morris, William G


    We demonstrate an approach for multianalyte chemical identification and quantitation using a single conventional radio frequency identification (RFID) tag that has been adapted for chemical sensing. Unlike other approaches of using RFID sensors, where a special tag should be designed at a much higher cost, we utilize a conventional RFID tag and coat it with a chemically sensitive film. As an example, we demonstrate detection of several vapors of industrial, health, law enforcement, and security interest (ethanol, methanol, acetonitrile, water vapors) with a single 13.56-MHz RFID tag coated with a solid polymer electrolyte sensing film. By measuring simultaneously several parameters of the complex impedance from such an RFID sensor and applying multivariate statistical analysis methods, we were able to identify and quantify several vapors of interest. With a careful selection of the sensing film and measurement conditions, we achieved parts-per-billion vapor detection limits in air. These RFID sensors are very attractive as ubiquitous multianalyte distributed sensor networks.

  11. Hyperspectral and differential CARS microscopy for quantitative chemical imaging in human adipocytes. (United States)

    Di Napoli, Claudia; Pope, Iestyn; Masia, Francesco; Watson, Peter; Langbein, Wolfgang; Borri, Paola


    In this work, we demonstrate the applicability of coherent anti-Stokes Raman scattering (CARS) micro-spectroscopy for quantitative chemical imaging of saturated and unsaturated lipids in human stem-cell derived adipocytes. We compare dual-frequency/differential CARS (D-CARS), which enables rapid imaging and simple data analysis, with broadband hyperspectral CARS microscopy analyzed using an unsupervised phase-retrieval and factorization method recently developed by us for quantitative chemical image analysis. Measurements were taken in the vibrational fingerprint region (1200-2000/cm) and in the CH stretch region (2600-3300/cm) using a home-built CARS set-up which enables hyperspectral imaging with 10/cm resolution via spectral focussing from a single broadband 5 fs Ti:Sa laser source. Through a ratiometric analysis, both D-CARS and phase-retrieved hyperspectral CARS determine the concentration of unsaturated lipids with comparable accuracy in the fingerprint region, while in the CH stretch region D-CARS provides only a qualitative contrast owing to its non-linear behavior. When analyzing hyperspectral CARS images using the blind factorization into susceptibilities and concentrations of chemical components recently demonstrated by us, we are able to determine vol:vol concentrations of different lipid components and spatially resolve inhomogeneities in lipid composition with superior accuracy compared to state-of-the art ratiometric methods.

  12. Hyperspectral and differential CARS microscopy for quantitative chemical imaging in human adipocytes (United States)

    Di Napoli, Claudia; Pope, Iestyn; Masia, Francesco; Watson, Peter; Langbein, Wolfgang; Borri, Paola


    In this work, we demonstrate the applicability of coherent anti-Stokes Raman scattering (CARS) micro-spectroscopy for quantitative chemical imaging of saturated and unsaturated lipids in human stem-cell derived adipocytes. We compare dual-frequency/differential CARS (D-CARS), which enables rapid imaging and simple data analysis, with broadband hyperspectral CARS microscopy analyzed using an unsupervised phase-retrieval and factorization method recently developed by us for quantitative chemical image analysis. Measurements were taken in the vibrational fingerprint region (1200–2000/cm) and in the CH stretch region (2600–3300/cm) using a home-built CARS set-up which enables hyperspectral imaging with 10/cm resolution via spectral focussing from a single broadband 5 fs Ti:Sa laser source. Through a ratiometric analysis, both D-CARS and phase-retrieved hyperspectral CARS determine the concentration of unsaturated lipids with comparable accuracy in the fingerprint region, while in the CH stretch region D-CARS provides only a qualitative contrast owing to its non-linear behavior. When analyzing hyperspectral CARS images using the blind factorization into susceptibilities and concentrations of chemical components recently demonstrated by us, we are able to determine vol:vol concentrations of different lipid components and spatially resolve inhomogeneities in lipid composition with superior accuracy compared to state-of-the art ratiometric methods. PMID:24877002

  13. [Correspondence analysis between traditional commercial specifications and quantitative quality indices of Notopterygii Rhizoma et Radix]. (United States)

    Jiang, Shun-Yuan; Sun, Hong-Bing; Sun, Hui; Ma, Yu-Ying; Chen, Hong-Yu; Zhu, Wen-Tao; Zhou, Yi


    This paper aims to explore a comprehensive assessment method combined traditional Chinese medicinal material specifications with quantitative quality indicators. Seventy-six samples of Notopterygii Rhizoma et Radix were collected on market and at producing areas. Traditional commercial specifications were described and assigned, and 10 chemical components and volatile oils were determined for each sample. Cluster analysis, Fisher discriminant analysis and correspondence analysis were used to establish the relationship between the traditional qualitative commercial specifications and quantitative chemical indices for comprehensive evaluating quality of medicinal materials, and quantitative classification of commercial grade and quality grade. A herb quality index (HQI) including traditional commercial specifications and chemical components for quantitative grade classification were established, and corresponding discriminant function were figured out for precise determination of quality grade and sub-grade of Notopterygii Rhizoma et Radix. The result showed that notopterol, isoimperatorin and volatile oil were the major components for determination of chemical quality, and their dividing values were specified for every grade and sub-grade of the commercial materials of Notopterygii Rhizoma et Radix. According to the result, essential relationship between traditional medicinal indicators, qualitative commercial specifications, and quantitative chemical composition indicators can be examined by K-mean cluster, Fisher discriminant analysis and correspondence analysis, which provide a new method for comprehensive quantitative evaluation of traditional Chinese medicine quality integrated traditional commodity specifications and quantitative modern chemical index. Copyright© by the Chinese Pharmaceutical Association.

  14. Chemical Analysis for Nuclear Industry

    International Nuclear Information System (INIS)

    Han, Sun Ho; Kim, D. Y.; Kim, Y. B.


    Main objective of this project is to maintain chemical hot cell facility and essential chemical analysis instruments of Nuclear Chemistry Research Division(NCRD) in KAERI and is to support other nuclear R and D groups and nuclear industries providing precise data from the samples and specimens with these facility and instruments. The main items of chemical analysis were the determination of burn-up and fission gas of PWR high burn up UO 2 fuels and hydrogen in cladding material. Other Chemical analyses (element analysis by using ICP-AES, AA and EPMA; radio nuclide analysis by αβγ-spectrometer; isotope analysis by TI-MS, ICP-MS and Quadrupole MS; surface analysis by XRD, SEM; H,C,O analysis etc.) were carried out through this project from January 1st to December 31th of 2007 for the 7,263 cases from the nuclear R and D projects, from the facilities of nuclear fuel cycle examination and from the domestic nuclear industries such as nuclear power plants(KEPCO), fuel producing company(KNFC). Experiments related to the development of chemical analysis methods, A gas chromatography analysis method was established for a slightly negative pressure fission gas sample and thus the results were compared to and reviewed with those obtained by quadrupole mass spectrometer which already had been developed for the routine gas analysis support of the same sample. With using a packed molecular column and optimum temperature condition of oven, the fission gas compositions, nitrogen, krypton and xenon, could be separated clearly within 7 minute. According to the analysis results for the same fission gas samples, gas chromatograph and quadrupole mass spectrometer, the krypton analysis results of fission gases by the former was 2.65 % higher than those by the later. However analysis results of xenon by both methods were agreed well within 1 decimal point.Simultaneous multi-sample treatment system was developed to promote efficiency of chemical analysis methods and the burnup

  15. Using Qualitative Hazard Analysis to Guide Quantitative Safety Analysis (United States)

    Shortle, J. F.; Allocco, M.


    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.

  16. Influence analysis in quantitative trait loci detection. (United States)

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


    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. © 2014 The Author. Biometrical Journal published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Quantitative resilience analysis through control design.

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  18. Quantitative analysis of thallium-201 myocardial scintigraphy

    International Nuclear Information System (INIS)

    Kanemoto, Nariaki; Hoer, G.; Johost, S.; Maul, F.-D.; Standke, R.


    The method of quantitative analysis of thallium-201 myocardial scintigraphy using computer assisted technique was described. Calculated indices are washout factor, vitality index and redistribution factor. Washout factor is the ratio of counts at certain period of time after exercise and immediately after exercise. This value is neccessary for the evaluation of redistribution to the ischemic areas in serial imagings to correct the Tl-201 washout from the myocardium under the assumption that the washout is constant in the whole myocardium. Vitality index is the ratio between the Tl-201 uptake in the region of interest and that of the maximum. Redistribution factor is the ratio of the redistribution in the region of interest in serial imagings after exercise to that of immediately after exercise. Four examples of exercise Tl-201 myocardial scintigrams and the quantitative analyses before and after the percutaneous transluminal coronary angioplasty were presented. (author)

  19. 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)


    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)

  20. Quantitative analysis method for ship construction quality

    Directory of Open Access Journals (Sweden)

    FU Senzong


    Full Text Available The excellent performance of a ship is assured by the accurate evaluation of its construction quality. For a long time, research into the construction quality of ships has mainly focused on qualitative analysis due to a shortage of process data, which results from limited samples, varied process types and non-standardized processes. Aiming at predicting and controlling the influence of the construction process on the construction quality of ships, this article proposes a reliability quantitative analysis flow path for the ship construction process and fuzzy calculation method. Based on the process-quality factor model proposed by the Function-Oriented Quality Control (FOQC method, we combine fuzzy mathematics with the expert grading method to deduce formulations calculating the fuzzy process reliability of the ordinal connection model, series connection model and mixed connection model. The quantitative analysis method is applied in analyzing the process reliability of a ship's shaft gear box installation, which proves the applicability and effectiveness of the method. The analysis results can be a useful reference for setting key quality inspection points and optimizing key processes.

  1. Quantitative Survey and Structural Classification of Fracking Chemicals Reported in Unconventional Gas Exploitation (United States)

    Elsner, Martin; Schreglmann, Kathrin


    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

  2. Quantitative wear particle analysis for osteoarthritis assessment. (United States)

    Guo, Meizhai; Lord, Megan S; Peng, Zhongxiao


    Osteoarthritis is a degenerative joint disease that affects millions of people worldwide. The aims of this study were (1) to quantitatively characterise the boundary and surface features of wear particles present in the synovial fluid of patients, (2) to select key numerical parameters that describe distinctive particle features and enable osteoarthritis assessment and (3) to develop a model to assess osteoarthritis conditions using comprehensive wear debris information. Discriminant analysis was used to statistically group particles based on differences in their numerical parameters. The analysis methods agreed with the clinical osteoarthritis grades in 63%, 50% and 61% of particles for no osteoarthritis, mild osteoarthritis and severe osteoarthritis, respectively. This study has revealed particle features specific to different osteoarthritis grades and provided further understanding of the cartilage degradation process through wear particle analysis - the technique that has the potential to be developed as an objective and minimally invasive method for osteoarthritis diagnosis.

  3. Micro photometer's automation for quantitative spectrograph analysis

    International Nuclear Information System (INIS)

    Gutierrez E, C.Y.A.


    A Microphotometer is used to increase the sharpness of dark spectral lines. Analyzing these lines one sample content and its concentration could be determined and the analysis is known as Quantitative Spectrographic Analysis. The Quantitative Spectrographic Analysis is carried out in 3 steps, as follows. 1. Emulsion calibration. This consists of gauging a photographic emulsion, to determine the intensity variations in terms of the incident radiation. For the procedure of emulsion calibration an adjustment with square minimum to the data obtained is applied to obtain a graph. It is possible to determine the density of dark spectral line against the incident light intensity shown by the microphotometer. 2. Working curves. The values of known concentration of an element against incident light intensity are plotted. Since the sample contains several elements, it is necessary to find a work curve for each one of them. 3. Analytical results. The calibration curve and working curves are compared and the concentration of the studied element is determined. The automatic data acquisition, calculation and obtaining of resulting, is done by means of a computer (PC) and a computer program. The conditioning signal circuits have the function of delivering TTL levels (Transistor Transistor Logic) to make the communication between the microphotometer and the computer possible. Data calculation is done using a computer programm

  4. Quantitative texture analysis of electrodeposited line patterns

    DEFF Research Database (Denmark)

    Pantleon, Karen; Somers, Marcel A.J.


    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......-ray diffraction for both the substrate layer and the electrodeposits yielded experimental evidence for epitaxy between Cu and Au. An orientation relation between film and substrate was discussed with respect to various concepts of epitaxy. While the conventional mode of epitaxy fails for the Cu...

  5. Quantitative structure-activity relationship models of chemical transformations from matched pairs analyses. (United States)

    Beck, Jeremy M; Springer, Clayton


    The concepts of activity cliffs and matched molecular pairs (MMP) are recent paradigms for analysis of data sets to identify structural changes that may be used to modify the potency of lead molecules in drug discovery projects. Analysis of MMPs was recently demonstrated as a feasible technique for quantitative structure-activity relationship (QSAR) modeling of prospective compounds. Although within a small data set, the lack of matched pairs, and the lack of knowledge about specific chemical transformations limit prospective applications. Here we present an alternative technique that determines pairwise descriptors for each matched pair and then uses a QSAR model to estimate the activity change associated with a chemical transformation. The descriptors effectively group similar transformations and incorporate information about the transformation and its local environment. Use of a transformation QSAR model allows one to estimate the activity change for novel transformations and therefore returns predictions for a larger fraction of test set compounds. Application of the proposed methodology to four public data sets results in increased model performance over a benchmark random forest and direct application of chemical transformations using QSAR-by-matched molecular pairs analysis (QSAR-by-MMPA).

  6. Quantitative analysis of retinal changes in hypertension (United States)

    Giansanti, Roberto; Boemi, Massimo; Fumelli, Paolo; Passerini, Giorgio; Zingaretti, Primo


    Arterial hypertension is a high prevalence disease in Western countries and it is associated with increased risk for cardiovascular accidents. Retinal vessel changes are common findings in patients suffering from long-standing hypertensive disease. Morphological evaluations of the fundus oculi represent a fundamental tool for the clinical approach to the patient with hypertension. A qualitative analysis of the retinal lesions is usually performed and this implies severe limitations both in the classification of the different degrees of the pathology and in the follow-up of the disease. A diagnostic system based on a quantitative analysis of the retinal changes could overcome these problems. Our computerized approach was intended for this scope. The paper concentrates on the results and the implications of a computerized approach to the automatic extraction of numerical indexes describing morphological details of the fundus oculi. A previously developed image processing and recognition system, documented elsewhere and briefly described here, was successfully tested in pre-clinical experiments and applied in the evaluation of normal as well as of pathological fundus. The software system was developed to extract indexes such as caliber and path of vessels, local tortuosity of arteries and arterioles, positions and angles of crossings between two vessels. The reliability of the results, justified by their low variability, makes feasible the standardization of quantitative parameters to be used both in the diagnosis and in the prognosis of hypertension, and also allows prospective studies based upon them.

  7. Simultaneous quantitative measurement of biodegradability and toxicity of environmental chemicals

    International Nuclear Information System (INIS)

    Kayser, G.; Koch, M.; Ruck, W.


    Investigations were made on the biodegradability and bacterial toxicity of chemicals. The intention was to obtain data necessary for estimating and judging the behaviour of these chemicals during aerobic biological waste water treatment. The course of biodegradation and toxicity with time and concentration could be measured, quantified and described. As test procedure, the respirometric dilution method was used. This method is based on a die away test with continuous measuring of the oxygen used for biochemical oxidation processes. The course of the oxygen demand with time and concentration shows the biodegradation and toxicity patterns of the tested chemical. A variety of household and industrial chemicals were investigated. One group of substances were microbiocides, some of which showed toxic effects at concentrations less than 20 mg/l while others were biodegradable even at concentrations of 200 mg/l. Another group of test chemicals were anionic and nonionic detergents. Unexpectedly, some of these substances were toxic at concentrations as little as 50 mg/l. (orig.) [de

  8. Quantitative chemical-shift MR imaging cutoff value: Benign versus malignant vertebral compression – Initial experience

    Directory of Open Access Journals (Sweden)

    Dalia Z. Zidan


    Conclusion: Quantitative chemical shift MR imaging could be a valuable addition to standard MR imaging techniques and represent a rapid problem solving tool in differentiating benign from malignant vertebral compression, especially in patients with known primary malignancies.

  9. Rapid chemical analysis of allanite

    International Nuclear Information System (INIS)

    Nishiyama, Goro; Hayashi, Hiroshi


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

  10. Automatic quantitative morphological analysis of interacting galaxies (United States)

    Shamir, Lior; Holincheck, Anthony; Wallin, John


    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, the 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 galaxy mergers are visualized using phylogenies to provide a graph that reflects the morphological similarities between the different galaxy mergers, and thus quantitatively profile the morphology of galaxy mergers.

  11. Diagnostic performance of semi-quantitative and quantitative stress CMR perfusion analysis: a meta-analysis. (United States)

    van Dijk, R; van Assen, M; Vliegenthart, R; de Bock, G H; van der Harst, P; Oudkerk, M


    Stress cardiovascular magnetic resonance (CMR) perfusion imaging is a promising modality for the evaluation of coronary artery disease (CAD) due to high spatial resolution and absence of radiation. Semi-quantitative and quantitative analysis of CMR perfusion are based on signal-intensity curves produced during the first-pass of gadolinium contrast. Multiple semi-quantitative and quantitative parameters have been introduced. Diagnostic performance of these parameters varies extensively among studies and standardized protocols are lacking. This study aims to determine the diagnostic accuracy of semi- quantitative and quantitative CMR perfusion parameters, compared to multiple reference standards. Pubmed, WebOfScience, and Embase were systematically searched using predefined criteria (3272 articles). A check for duplicates was performed (1967 articles). Eligibility and relevance of the articles was determined by two reviewers using pre-defined criteria. The primary data extraction was performed independently by two researchers with the use of a predefined template. Differences in extracted data were resolved by discussion between the two researchers. The quality of the included studies was assessed using the 'Quality Assessment of Diagnostic Accuracy Studies Tool' (QUADAS-2). True positives, false positives, true negatives, and false negatives were subtracted/calculated from the articles. The principal summary measures used to assess diagnostic accuracy were sensitivity, specificity, andarea under the receiver operating curve (AUC). Data was pooled according to analysis territory, reference standard and perfusion parameter. Twenty-two articles were eligible based on the predefined study eligibility criteria. The pooled diagnostic accuracy for segment-, territory- and patient-based analyses showed good diagnostic performance with sensitivity of 0.88, 0.82, and 0.83, specificity of 0.72, 0.83, and 0.76 and AUC of 0.90, 0.84, and 0.87, respectively. In per territory

  12. Quantitative Analysis in Nuclear Medicine Imaging

    CERN Document Server


    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. ...

  13. Quantitative MR Image Analysis for Brian Tumor. (United States)

    Shboul, Zeina A; Reza, Sayed M S; Iftekharuddin, Khan M


    This paper presents an integrated quantitative MR image analysis framework to include all necessary steps such as MRI inhomogeneity correction, feature extraction, multiclass feature selection and multimodality abnormal brain tissue segmentation respectively. We first obtain mathematical algorithm to compute a novel Generalized multifractional Brownian motion (GmBm) texture feature. We then demonstrate efficacy of multiple multiresolution texture features including regular fractal dimension (FD) texture, and stochastic texture such as multifractional Brownian motion (mBm) and GmBm features for robust tumor and other abnormal tissue segmentation in brain MRI. We evaluate these texture and associated intensity features to effectively delineate multiple abnormal tissues within and around the tumor core, and stroke lesions using large scale public and private datasets.

  14. Quantitative Analysis of Tremors in Welders

    Directory of Open Access Journals (Sweden)

    Paul A. Nausieda


    Full Text Available Background: Workers chronically exposed to manganese in welding fumes may develop an extra-pyramidal syndrome with postural and action tremors. Objectives: To determine the utility of tremor analysis in distinguishing tremors among workers exposed to welding fumes, patients with Idiopathic Parkinson’s Disease (IPD and Essential Tremor (ET. Methods: Retrospective study of recorded tremor in subjects from academic Movement Disorders Clinics and Welders. Quantitative tremor analysis was performed and associated with clinical status. Results: Postural tremor intensity was increased in Welders and ET and was associated with visibly greater amplitude of tremor with arms extended. Mean center frequencies (Cf of welders and patients with ET were significantly higher than the mean Cf of PD subjects. Although both the welders and the ET group exhibited a higher Cf with arms extended, welders could be distinguished from the ET subjects by a significantly lower Cf of the rest tremor than that measured in ET subjects. Conclusions: In the context of an appropriate exposure history and neurological examination, tremor analysis may be useful in the diagnosis of manganese-related extra-pyramidal manifestations.

  15. 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:; 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


    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)

  16. 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)


    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)

  17. Quantitative analysis of infrared contrast enhancement algorithms (United States)

    Weith-Glushko, Seth; Salvaggio, Carl


    Dynamic range reduction and contrast enhancement are two image-processing methods that are required when developing thermal camera systems. The two methods must be performed in such a way that the high dynamic range imagery output from current sensors are compressed in a pleasing way for display on lower dynamic range monitors. This research examines a quantitative analysis of infrared contrast enhancement algorithms found in literature and developed by the author. Four algorithms were studied, three of which were found in literature and one developed by the author: tail-less plateau equalization (TPE), adaptive plateau equalization (APE), the method according to Aare Mällo (MEAM), and infrared multi-scale retinex (IMSR). TPE and APE are histogram-based methods, requiring the calculation of the probability density of digital counts within an image. MEAM and IMSR are frequency-domain methods, methods that operate on input imagery that has been split into components containing differing spatial frequency content. After a rate of growth analysis and psychophysical trial were performed, MEAM was found to be the best algorithm.

  18. An approach to quantitate and control the mutagenic hazards of environmental chemical and radioactive pollutants

    International Nuclear Information System (INIS)

    Murthy, M.S.S.


    Human population, both at the occupational and non-occupational levels, is exposed to the environment polluted by man-made chemicals and radiation sources. The parameters required for quantitating mutagenic hazards of any agent are listed and it has been pointed out that though sufficient information of this nature is available in the case of radiations, it is almost impossible to collect similar information for chemical substances due to their number running into astronomical figures. A short-cut approach, therefore, is suggested to quantitate and control the mutagenic hazards of these pollutants. It is to express the mutagenic hazards of a chemical substance in terms of equivalent radiation units. The unit proposed for this purpose is called as Rem-Equivalent Chemical (REC). Total mutagenic burden to the society should take account of exposure from both chemicals and radiations. Advantages and limitation of this approach are discussed. (M.G.B.)

  19. Stochastic flux analysis of chemical reaction networks. (United States)

    Kahramanoğulları, Ozan; Lynch, James F


    Chemical reaction networks provide an abstraction scheme for a broad range of models in biology and ecology. The two common means for simulating these networks are the deterministic and the stochastic approaches. The traditional deterministic approach, based on differential equations, enjoys a rich set of analysis techniques, including a treatment of reaction fluxes. However, the discrete stochastic simulations, which provide advantages in some cases, lack a quantitative treatment of network fluxes. We describe a method for flux analysis of chemical reaction networks, where flux is given by the flow of species between reactions in stochastic simulations of the network. Extending discrete event simulation algorithms, our method constructs several data structures, and thereby reveals a variety of statistics about resource creation and consumption during the simulation. We use these structures to quantify the causal interdependence and relative importance of the reactions at arbitrary time intervals with respect to the network fluxes. This allows us to construct reduced networks that have the same flux-behavior, and compare these networks, also with respect to their time series. We demonstrate our approach on an extended example based on a published ODE model of the same network, that is, Rho GTP-binding proteins, and on other models from biology and ecology. We provide a fully stochastic treatment of flux analysis. As in deterministic analysis, our method delivers the network behavior in terms of species transformations. Moreover, our stochastic analysis can be applied, not only at steady state, but at arbitrary time intervals, and used to identify the flow of specific species between specific reactions. Our cases study of Rho GTP-binding proteins reveals the role played by the cyclic reverse fluxes in tuning the behavior of this network.

  20. Quantitative Risk Analysis: Method And Process

    Directory of Open Access Journals (Sweden)

    Anass BAYAGA


    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.

  1. Quantitative analysis of tyrosinase transcripts in blood. (United States)

    Johansson, M; Pisa, E K; Törmänen, V; Arstrand, K; Kågedal, B


    Tyrosinase is an enzyme unique to pigment-forming cells. Methods using this transcript for detection of melanoma cells in blood have given divergent results. Quantitative analytical procedures are therefore needed to study the analytical performance of the methods. Mononucleated cells were isolated by Percoll centrifugation. RNA was isolated by each of three methods: Ultraspec(TM)-II RNA isolation system, FastRNA(TM) GREEN Kit, and QIAamp RNA Blood Mini Kit. cDNA was synthesized using random hexamer primers. A tyrosinase-specific product of 207 bp was amplified by PCR. As an internal standard (and competitor) we used a 207-bp cDNA with a base sequence identical to the tyrosinase target except for a 20-bp probe-binding region. The PCR products were identified by 2, 4-dinitrophenol (DNP)-labeled probes specific for tyrosinase (5'DNP-GGGGAGCCTTGGGGTTCTGG-3') and internal standard (5'DNP-CGGAGCCCCGAAACCACATC-3') and quantified by ELISA. The calibration curves were linear and had a broad dynamic measuring range. A detection limit (2 SD above zero) of 48 transcripts/mL of blood was obtained from a low control. The analytical imprecision was 50% and 48% at concentrations of 1775 and 17 929 transcripts/mL (n = 12 and 14, respectively). With the cell line SK-Mel 28 added to blood and RNA extracted with the Ultraspec, Fast RNA, and QIAamp RNA methods, we found (mean +/- SD) 1716+/-1341, 2670+/-3174, and 24 320+/-5332 transcripts/mL of blood. Corresponding values were 527+/-497, 2497+/-1033, 14 930+/-1927 transcripts/mL of blood when the cell line JKM86-4 was added. One high-risk patient was followed by repeated analysis of tyrosinase transcripts in blood. The melanoma marker 5-S-cysteinyldopa in serum and urine was within reference values, but tyrosinase mRNA was slightly increased (120-168 transcripts/mL of blood). The tyrosinase mRNA increased to 1860 transcripts/mL concomitant with the increase in 5-S-cysteinyldopa; later a spleen metastasis was found. The results

  2. Quali- and quantitative analysis of commercial coffee by NMR

    International Nuclear Information System (INIS)

    Tavares, Leila Aley; Ferreira, Antonio Gilberto


    Coffee is one of the beverages most widely consumed in the world and the 'cafezinho' is normally prepared from a blend of roasted powder of two species, Coffea arabica and Coffea canephora. Each one exhibits differences in their taste and in the chemical composition, especially in the caffeine percentage. There are several procedures proposed in the literature for caffeine determination in different samples like soft drinks, coffee, medicines, etc but most of them need a sample workup which involves at least one step of purification. This work describes the quantitative analysis of caffeine using 1 H NMR and the identification of the major components in commercial coffee samples using 1D and 2D NMR techniques without any sample pre-treatment. (author)

  3. Quantitative phosphoproteomic analysis of postmortem muscle development

    DEFF Research Database (Denmark)

    Huang, Honggang

    )-based quantitative phosphoproteomic strategies were employed to analyze PM muscle with the aim to intensively characterize the protein phosphorylation involved in meat quality development. Firstly, gel-based phosphoproteomic studies were performed to analyze the protein phosphorylation in both sarcoplasmic proteins...... proteins in beef. The majority of the identified phosphoproteins were glycometabolism related enzymes in the sarcoplasmic fraction and contraction related proteins in the myofibrillar fraction. Subsequently, the quantitative LC-MS/MS-based phosphoproteomic strategy was used to identify and quantify...

  4. A quantitative analysis of hip capsular thickness. (United States)

    Philippon, Marc J; Michalski, Max P; Campbell, Kevin J; Rasmussen, Matthew T; Goldsmith, Mary T; Devitt, Brian M; Wijdicks, Coen A; LaPrade, Robert F


    The purpose of this study was to provide a comprehensive quantitative analysis of capsular thickness adjacent to the acetabular rim in clinically relevant locations. Dissections were performed and hip capsular measurements were recorded on 13 non-paired, fresh-frozen cadaveric hemi-pelvises using a coordinate measuring device. Measurements were taken for each clock-face position at 0, 5, 10 and 15 mm distances from the labral edge. The capsule was consistently thickest at 2 o'clock for each interval from the labrum with a maximum thickness of 8.3 at 10 mm [95 % CI 6.8, 9.8] and 15 mm [95 % CI 6.8, 9.7]. The capsule was noticeably thinner between 4 and 11 o'clock with a minimum thickness of 4.1 mm [95 % CI 3.3, 4.9] at 10 o'clock at the labral edge. Direct comparison between 0 and 5 mm between 9 and 3 o'clock showed that the hip capsule was significantly thicker at 5 mm from the labrum at 9 o'clock (p = 0.027), 10 o'clock (p = 0.032), 1 o'clock (p = 0.003), 2 o'clock (p = 0.001) and 3 o'clock (p = 0.001). The hip capsule was thickest between the 1 and 2 o'clock positions for all measured distances from the acetabular labrum and reached its maximum thickness at 2 o'clock, which corresponds to the location of the iliofemoral ligament.

  5. Quantitative analysis of phytosterols in edible oils using APCI liquid chromatography-tandem mass spectrometry


    Mo, Shunyan; Dong, Linlin; Hurst, W. Jeffrey; van Breemen, Richard B.


    Previous methods for the quantitative analysis of phytosterols have usually used GC-MS and require elaborate sample preparation including chemical derivatization. Other common methods such as HPLC with absorbance detection do not provide information regarding the identity of the analytes. To address the need for an assay that utilizes mass selectivity while avoiding derivatization, a quantitative method based on LC-tandem mass spectrometry (LC-MS-MS) was developed and validated for the measur...

  6. Quantitative Data Analysis--In the Graduate Curriculum (United States)

    Albers, Michael J.


    A quantitative research study collects numerical data that must be analyzed to help draw the study's conclusions. Teaching quantitative data analysis is not teaching number crunching, but teaching a way of critical thinking for how to analyze the data. The goal of data analysis is to reveal the underlying patterns, trends, and relationships of a…

  7. Automated approach to quantitative error analysis

    International Nuclear Information System (INIS)

    Bareiss, E.H.


    A method is described how a quantitative measure for the robustness of a given neutron transport theory code for coarse network calculations can be obtained. A code that performs this task automatically and at only nominal cost is described. This code also generates user-oriented benchmark problems which exhibit the analytic behavior at interfaces. 5 figures, 1 table

  8. Quantitative Analysis of Radar Returns from Insects (United States)

    Riley, J. R.


    When a number of flying insects is low enough to permit their resolution as individual radar targets, quantitative estimates of their aerial density are developed. Accurate measurements of heading distribution using a rotating polarization radar to enhance the wingbeat frequency method of identification are presented.

  9. Critical Race Quantitative Intersections: A "testimonio" Analysis (United States)

    Covarrubias, Alejandro; Nava, Pedro E.; Lara, Argelia; Burciaga, Rebeca; Vélez, Verónica N.; Solorzano, Daniel G.


    The educational pipeline has become a commonly referenced depiction of educational outcomes for racialized groups across the country. While visually impactful, an overreliance on decontextualized quantitative data often leads to majoritarian interpretations. Without sociohistorical contexts, these interpretations run the risk of perpetuating…

  10. [Rapid analysis of suppositories by quantitative 1H NMR spectroscopy]. (United States)

    Abramovich, R A; Kovaleva, S A; Goriainov, S V; Vorob'ev, A N; Kalabin, G A


    Rapid analysis of suppositories with ibuprofen and arbidol by quantitative 1H NMR spectroscopy was performed. Optimal conditions for the analysis were developed. The results are useful for design of rapid methods for quality control of suppositories with different components

  11. Quantitative analysis of planetary reflectance spectra with principal components analysis (United States)

    Johnson, P. E.; Smith, M. O.; Adams, J. B.


    A technique is presented for quantitative analysis of planetary reflectance spectra as mixtures of particles on microscopic and macroscopic scales using principal components analysis. This technique allows for determination of the endmembers being mixed, their abundance, and the scale of mixing, as well as other physical parameters. Eighteen lunar telescopic reflectance spectra of the Copernicus crater region, from 600 nm to 1800 nm in wavelength, are modeled in terms of five likely endmembers: mare basalt, mature mare soil, anorthosite, mature highland soil, and clinopyroxene. These endmembers were chosen from a similar analysis of 92 lunar soil and rock samples. The models fit the data to within 2 percent rms. It is found that the goodness of fit is marginally better for intimate mixing over macroscopic mixing.

  12. Quantitative analysis of comparative genomic hybridization

    Energy Technology Data Exchange (ETDEWEB)

    Manoir, S. du; Bentz, M.; Joos, S. [Abteilung Organisation komplexer Genome, Heidelberg (Germany)]|[Institut fuer Humangenetik, Heidelberg (Germany)] [and others


    Comparative genomic hybridization (CGH) is a new molecular cytogenetic method for the detection of chromosomal imbalances. Following cohybridization of DNA prepared from a sample to be studied and control DNA to normal metaphase spreads, probes are detected via different fluorochromes. The ratio of the test and control fluorescence intensities along a chromosome reflects the relative copy number of segments of a chromosome in the test genome. Quantitative evaluation of CGH experiments is required for the determination of low copy changes, e.g., monosomy or trisomy, and for the definition of the breakpoints involved in unbalanced rearrangements. In this study, a program for quantitation of CGH preparations is presented. This program is based on the extraction of the fluorescence ratio profile along each chromosome, followed by averaging of individual profiles from several metaphase spreads. Objective parameters critical for quantitative evaluations were tested, and the criteria for selection of suitable CGH preparations are described. The granularity of the chromosome painting and the regional inhomogeneity of fluorescence intensities in metaphase spreads proved to be crucial parameters. The coefficient of variation of the ratio value for chromosomes in balanced state (CVBS) provides a general quality criterion for CGH experiments. Different cutoff levels (thresholds) of average fluorescence ratio values were compared for their specificity and sensitivity with regard to the detection of chromosomal imbalances. 27 refs., 15 figs., 1 tab.

  13. Quantitative analysis of intermolecular interactions in 2,2'-((4 ...

    Indian Academy of Sciences (India)



    Feb 7, 2018 ... REGULAR ARTICLE. Quantitative analysis of intermolecular interactions in ... The quantitative molecular electrostatic potential surface diagram depicts the potential binding sites which are in good agreement with the crystal ..... root mean squared deviation (rmsd: 0.19 Å) is observed for the compound I and ...

  14. Molecular activation analysis for chemical speciation studies

    International Nuclear Information System (INIS)



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

  15. Porosity determination on pyrocarbon using automatic quantitative image analysis

    International Nuclear Information System (INIS)

    Koizlik, K.; Uhlenbruck, U.; Delle, W.; Nickel, H.

    Methods of porosity determination are reviewed and applied to the measurement of the porosity of pyrocarbon. Specifically, the mathematical basis of stereology and the procedures involved in quantitative image analysis are detailed

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

  17. Chemical analysis of the Fornax Dwarf galaxy

    NARCIS (Netherlands)

    Letarte, Bruno


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

  18. Joint association analysis of bivariate quantitative and qualitative traits. (United States)

    Yuan, Mengdie; Diao, Guoqing


    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.

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

    CERN Document Server

    Connolly, Paul


    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

  20. Quantitative design of emergency monitoring network for river chemical spills based on discrete entropy theory. (United States)

    Shi, Bin; Jiang, Jiping; Sivakumar, Bellie; Zheng, Yi; Wang, Peng


    Field monitoring strategy is critical for disaster preparedness and watershed emergency environmental management. However, development of such is also highly challenging. Despite the efforts and progress thus far, no definitive guidelines or solutions are available worldwide for quantitatively designing a monitoring network in response to river chemical spill incidents, except general rules based on administrative divisions or arbitrary interpolation on routine monitoring sections. To address this gap, a novel framework for spatial-temporal network design was proposed in this study. The framework combines contaminant transport modelling with discrete entropy theory and spectral analysis. The water quality model was applied to forecast the spatio-temporal distribution of contaminant after spills and then corresponding information transfer indexes (ITIs) and Fourier approximation periodic functions were estimated as critical measures for setting sampling locations and times. The results indicate that the framework can produce scientific preparedness plans of emergency monitoring based on scenario analysis of spill risks as well as rapid design as soon as the incident happened but not prepared. The framework was applied to a hypothetical spill case based on tracer experiment and a real nitrobenzene spill incident case to demonstrate its suitability and effectiveness. The newly-designed temporal-spatial monitoring network captured major pollution information at relatively low costs. It showed obvious benefits for follow-up early-warning and treatment as well as for aftermath recovery and assessment. The underlying drivers of ITIs as well as the limitations and uncertainty of the approach were analyzed based on the case studies. Comparison with existing monitoring network design approaches, management implications, and generalized applicability were also discussed. Copyright © 2018 Elsevier Ltd. All rights reserved.

  1. Quantitative X ray analysis system. User's manual and guide to X ray fluorescence technique

    International Nuclear Information System (INIS)


    This guide covers trimmed and re-arranged version 3.6 of the Quantitative X ray Analysis System (QXAS) software package that includes the most frequently used methods of quantitative analysis. QXAS is a comprehensive quantitative analysis package that has been developed by the IAEA through research and technical contracts. Additional development has also been carried out in the IAEA Laboratories in Seibersdorf where QXAS was extensively tested. New in this version of the manual are the descriptions of the Voigt-profile peak fitting, the backscatter fundamental parameters' and emission-transmission methods of chemical composition analysis, an expanded chapter on the X ray fluorescence physics, and completely revised and increased number of practical examples of utilization of the QXAS software package. The analytical data accompanying this manual were collected in the IAEA Seibersdorf Laboratories in the years 2006/2007

  2. Optical MEMS for chemical analysis and biomedicine

    CERN Document Server

    Jiang, Hongrui


    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.

  3. Quantitative genetic analysis of total glucosinolate, oil and protein ...

    African Journals Online (AJOL)

    Quantitative genetic analysis of total glucosinolate, oil and protein contents in Ethiopian mustard ( Brassica carinata A. Braun) ... Seeds were analyzed using HPLC (glucosinolates), NMR (oil) and NIRS (protein). Analyses of variance, Hayman's method of diallel analysis and a mixed linear model of genetic analysis were ...

  4. Quantitative produced water analysis using mobile 1H NMR (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.


    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.

  5. Quantitative analysis of probabilistic BPMN workflows

    DEFF Research Database (Denmark)

    Herbert, Luke Thomas; Sharp, Robin


    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....... We present an algorithm for the translation of such models into Markov Decision processes expressed in the syntax of the PRISM model checker. This enables analysis of business processes for the following properties: transient and steadystate probabilities, the timing, occurrence and ordering...... 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...

  6. Target identification of natural and traditional medicines with quantitative chemical proteomics approaches. (United States)

    Wang, Jigang; Gao, Liqian; Lee, Yew Mun; Kalesh, Karunakaran A; Ong, Yong Siang; Lim, Jaehong; Jee, Joo-Eun; Sun, Hongyan; Lee, Su Seong; Hua, Zi-Chun; Lin, Qingsong


    Natural and traditional medicines, being a great source of drugs and drug leads, have regained wide interests due to the limited success of high-throughput screening of compound libraries in the past few decades and the recent technology advancement. Many drugs/bioactive compounds exert their functions through interaction with their protein targets, with more and more drugs showing their ability to target multiple proteins, thus target identification has an important role in drug discovery and biomedical research fields. Identifying drug targets not only furthers the understanding of the mechanism of action (MOA) of a drug but also reveals its potential therapeutic applications and adverse side effects. Chemical proteomics makes use of affinity chromatography approaches coupled with mass spectrometry to systematically identify small molecule-protein interactions. Although traditional affinity-based chemical proteomics approaches have made great progress in the identification of cellular targets and elucidation of MOAs of many bioactive molecules, nonspecific binding remains a major issue which may reduce the accuracy of target identification and may hamper the drug development process. Recently, quantitative proteomics approaches, namely, metabolic labeling, chemical labeling, or label-free approaches, have been implemented in target identification to overcome such limitations. In this review, we will summarize and discuss the recent advances in the application of various quantitative chemical proteomics approaches for the identification of targets of natural and traditional medicines. Copyright © 2016. Published by Elsevier Inc.

  7. Chemical analysis of water in hydrogeology

    International Nuclear Information System (INIS)

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


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

  8. Applied quantitative analysis in the social sciences

    CERN Document Server

    Petscher, Yaacov; Compton, Donald L


    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

  9. The quantitative failure of human reliability analysis

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, C.T.


    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.

  10. Qualitative and quantitative analysis of detonation products

    International Nuclear Information System (INIS)

    Xie Yun


    Different sampling and different injection method were used during analyzing unknown detonation products in a obturator. The sample analyzed by gas chromatography and gas chromatography/mass spectrum. Qualitative analysis was used with CO, NO, C 2 H 2 , C 6 H 6 and so on, qualitative analysis was used with C 3 H 5 N, C 10 H 10 , C 8 H 8 N 2 and so on. The method used in the article is feasible. The results show that the component of detonation in the study is negative oxygen balance, there were many pollutants in the detonation products. (authors)

  11. Quantitative Determination of Aluminum in Deodorant Brands: A Guided Inquiry Learning Experience in Quantitative Analysis Laboratory (United States)

    Sedwick, Victoria; Leal, Anne; Turner, Dea; Kanu, A. Bakarr


    The monitoring of metals in commercial products is essential for protecting public health against the hazards of metal toxicity. This article presents a guided inquiry (GI) experimental lab approach in a quantitative analysis lab class that enabled students' to determine the levels of aluminum in deodorant brands. The utility of a GI experimental…

  12. Quantitative analysis of wellbeing and personal goals

    NARCIS (Netherlands)

    van der Laan, Jorien


    In this paper we present data on 407 homeless adults who have just entered the Dutch social relief system. We examined their personal goals of homeless adults and the association between their perceived goal related self-efficacy and their quality of life. Based on a hierarchical regression analysis

  13. Fundamentals of quantitative PET data analysis

    NARCIS (Netherlands)

    Willemsen, ATM; van den Hoff, J


    Drug analysis and development with PET should fully exhaust the ability of this tomographic technique to quantify regional tracer concentrations in vivo. Data evaluation based on visual inspection or assessment of regional image contrast is not sufficient for this purpose since much of the

  14. Chemical methods of rock analysis

    National Research Council Canada - National Science Library

    Jeffery, P. G; Hutchison, D


    A practical guide to the methods in general use for the complete analysis of silicate rock material and for the determination of all those elements present in major, minor or trace amounts in silicate...

  15. Quantitative analysis of probabilistic BPMN workflows

    DEFF Research Database (Denmark)

    Herbert, Luke Thomas; Sharp, Robin


    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...... for more complex annotations and ultimately to automatically synthesise workflows by composing predefined sub-processes, in order to achieve a configuration that is optimal for parameters of interest....

  16. Longitudinal Association Analysis of Quantitative Traits (United States)

    Fan, Ruzong; Zhang, Yiwei; Albert, Paul S.; Liu, Aiyi; Wang, Yuanjia; Xiong, Momiao


    Longitudinal genetic studies provide a valuable resource for exploring key genetic and environmental factors that affect complex traits over time. Genetic analysis of longitudinal data that incorporate temporal variations is important for understanding genetic architecture and biological variations of common complex diseases. Although they are important, there is a paucity of statistical methods to analyze longitudinal human genetic data. In this article, longitudinal methods are developed for temporal association mapping to analyze population longitudinal data. Both parametric and nonparametric models are proposed. The models can be applied to multiple diallelic genetic markers such as single-nucleotide polymorphisms and multiallelic markers such as microsatellites. By analytical formulae, we show that the models take both the linkage disequilibrium and temporal trends into account simultaneously. Variance-covariance structure is constructed to model the single measurement variation and multiple measurement correlations of an individual based on the theory of stochastic processes. Novel penalized spline models are used to estimate the time-dependent mean functions and regression coefficients. The methods were applied to analyze Framingham Heart Study data of Genetic Analysis Workshop (GAW) 13 and GAW 16. The temporal trends and genetic effects of the systolic blood pressure are successfully detected by the proposed approaches. Simulation studies were performed to find out that the nonparametric penalized linear model is the best choice in fitting real data. The research sheds light on the important area of longitudinal genetic analysis, and it provides a basis for future methodological investigations and practical applications. PMID:22965819

  17. A Quantitative Analysis of Countries’ Research Strengths

    Directory of Open Access Journals (Sweden)

    Anurag Saxena


    Full Text Available This study employed a multidimensional analysis to evaluate transnational patterns of scientific research to determine relative research strengths among widely varying nations. Findings from this study may inform national policy with regard to the most efficient use of scarce national research resources, including government and private funding. Research output from 34 countries is examined using a conceptual framework that emphasizes the ratio of research resources devoted to a particular field to research output measured by publications in peer-reviewed journals. Using cluster analysis and k-means analysis, we conclude that countries’ research output (as measured by the number of published peer-reviewed articles and their efficiency (as measured by a ratio of research output to dollars allocated to research together indicate a comparative advantage within any given country’s own menu of research choices and an absolute advantage relative to other countries. This study implies that the more countries engage in publication in areas of relative strength and consume research in areas of relative weakness, the stronger their entire research agenda will become.

  18. Spectroscopic Chemical Analysis Methods and Apparatus (United States)

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


    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.

  19. Shotgun lipidomic analysis of chemically sulfated sterols compromises analytical sensitivity

    DEFF Research Database (Denmark)

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


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

  20. Database design and implementation for quantitative image analysis research. (United States)

    Brown, Matthew S; Shah, Sumit K; Pais, Richard C; Lee, Yeng-Zhong; McNitt-Gray, Michael F; Goldin, Jonathan G; Cardenas, Alfonso F; Aberle, Denise R


    Quantitative image analysis (QIA) goes beyond subjective visual assessment to provide computer measurements of the image content, typically following image segmentation to identify anatomical regions of interest (ROIs). Commercially available picture archiving and communication systems focus on storage of image data. They are not well suited to efficient storage and mining of new types of quantitative data. In this paper, we present a system that integrates image segmentation, quantitation, and characterization with database and data mining facilities. The paper includes generic process and data models for QIA in medicine and describes their practical use. The data model is based upon the Digital Imaging and Communications in Medicine (DICOM) data hierarchy, which is augmented with tables to store segmentation results (ROIs) and quantitative data from multiple experiments. Data mining for statistical analysis of the quantitative data is described along with example queries. The database is implemented in PostgreSQL on a UNIX server. Database requirements and capabilities are illustrated through two quantitative imaging experiments related to lung cancer screening and assessment of emphysema lung disease. The system can manage the large amounts of quantitative data necessary for research, development, and deployment of computer-aided diagnosis tools.

  1. Segmentation and Quantitative Analysis of Epithelial Tissues. (United States)

    Aigouy, Benoit; Umetsu, Daiki; Eaton, Suzanne


    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.

  2. 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...

  3. Quantitative Image Simulation and Analysis of Nanoparticles

    DEFF Research Database (Denmark)

    Madsen, Jacob; Hansen, Thomas Willum

    Microscopy (HRTEM) has become a routine analysis tool for structural characterization at atomic resolution, and with the recent development of in-situ TEMs, it is now possible to study catalytic nanoparticles under reaction conditions. However, the connection between an experimental image, and the underlying...... of strain measurements from TEM images, and investigate the stability of these measurements to microscope parameters. This is followed by our efforts toward simulating metal nanoparticles on a metal-oxide support using the Charge Optimized Many Body (COMB) interatomic potential. The simulated interface...

  4. Quantitative studies of rhubarb using quantitative analysis of multicomponents by single marker and response surface methodology. (United States)

    Sun, Jiachen; Wu, Yueting; Dong, Shengjie; Li, Xia; Gao, Wenyuan


    In this work, we developed a novel approach to evaluate the contents of bioactive components in rhubarb. The present method was based on the quantitative analysis of multicomponents by a single-marker and response surface methodology approaches. The quantitative analysis of multicomponents by a single-marker method based on high-performance liquid chromatography coupled with photodiode array detection was developed and applied to determine the contents of 12 bioactive components in rhubarb. No significant differences were found in the results from the quantitative analysis of multicomponents by a single-marker and the external standard method. In order to maximize the extraction of 12 bioactive compounds in rhubarb, the ultrasonic-assisted extraction conditions were obtained by the response surface methodology coupled with Box-Behnken design. According to the obtained results, we showed that the optimal conditions would be as follows: proportion of ethanol/water 74.39%, solvent-to-solid ratio 24.07:1 v/w, extraction time 51.13 min, and extraction temperature 63.61°C. The analytical scheme established in this research should be a reliable, convenient, and appropriate method for quantitative determination of bioactive compounds in rhubarb. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Biostatistical analysis of quantitative immunofluorescence microscopy images. (United States)

    Giles, C; Albrecht, M A; Lam, V; Takechi, R; Mamo, J C


    Semiquantitative immunofluorescence microscopy has become a key methodology in biomedical research. Typical statistical workflows are considered in the context of avoiding pseudo-replication and marginalising experimental error. However, immunofluorescence microscopy naturally generates hierarchically structured data that can be leveraged to improve statistical power and enrich biological interpretation. Herein, we describe a robust distribution fitting procedure and compare several statistical tests, outlining their potential advantages/disadvantages in the context of biological interpretation. Further, we describe tractable procedures for power analysis that incorporates the underlying distribution, sample size and number of images captured per sample. The procedures outlined have significant potential for increasing understanding of biological processes and decreasing both ethical and financial burden through experimental optimization. © 2016 The Authors Journal of Microscopy © 2016 Royal Microscopical Society.

  6. Quantitative Analysis of Seismicity in Iran (United States)

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


    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.

  7. 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:; 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)


    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.

  8. Solvent Effects on Oxygen-17 Chemical Shifts in Amides. Quantitative Linear Solvation Shift Relationships (United States)

    Díez, Ernesto; Fabián, Jesús San; Gerothanassis, Ioannis P.; Esteban, Angel L.; Abboud, José-Luis M.; Contreras, Ruben H.; de Kowalewski, Dora G.


    A multiple-linear-regression analysis (MLRA) has been carried out using the Kamlet-Abboud-Taft (KAT) solvatochromic parameters in order to elucidate and quantify the solvent effects on the17O chemical shifts ofN-methylformamide (NMF),N,N-dimethylformamide (DMF),N-methylacetamide (NMA), andN,N-dimethylacetamide (DMA). The chemical shifts of the four molecules show the same dependence (in ppm) on the solvent polarity-polarizability, i.e., -22π*. The influence of the solvent hydrogen-bond-donor (HBD) acidities is slightly larger for the acetamides NMA and DMA, i.e., -48α, than for the formamides NMF and DMF, i.e., -42α. The influence of the solvent hydrogen-bond-acceptor (HBA) basicities is negligible for the nonprotic molecules DMF and DMA but significant for the protic molecules NMF and NMA, i.e., -9β. The effect of substituting the N-H hydrogen by a methyl group amounts to -5.9 ppm in NMF and 5.4 ppm in NMA. The effect of substituting the O=C-H hydrogen amounts to 5.5 ppm in NMF and 16.8 ppm in DMF. The model of specific hydration sites of amides by I. P. Gerothanassis and C. Vakka [J. Org. Chem.59,2341 (1994)] is settled in a more quantitative basis and the model by M. I. Burgar, T. E. St. Amour, and D. Fiat [J. Phys. Chem.85,502 (1981)] is critically evaluated.17O hydration shifts have been calculated for formamide (FOR) by the ab initio LORG method at the 6-31G* level. For a formamide surrounded by the four in-plane molecules of water in the first hydration shell, the calculated17O shift change due to the four hydrogen bonds, -83.2 ppm, is smaller than the empirical hydration shift, -100 ppm. The17O shift change from each out-of-plane water molecule hydrogen-bonded to the amide oxygen is -18.0 ppm. These LORG results support the conclusion that no more than four water molecules are hydrogen-bonded to the amide oxygen in formamide.

  9. Spores of anaerobic clostridia for a quantitative chemical analysis methodology; Metodo per la determinazione delle spore di clostridi solfito-riduttori in campioni di sedimenti, fanghi di depurazione, suolo e prodotti di compostaggio

    Energy Technology Data Exchange (ETDEWEB)

    Bonadonna, L.; Marini, R. [Istituto Superiore di Sanita' , Rome (Italy)


    The described analytical procedure allows the quantitative enumeration of the parameter Spores of Anaerobic Clostridia in solid matrixes, such as sediment, sludge, soil and compost. The present technique should be an useful reference method for all the laboratories working on the hygienic quality control of the environment. [Italian] Viene descritto il metodo analitico per la determinazione quantitativa delle Spore di Clostridi solfito-riduttori. Il parametro viene generalmente ancora quantificato con metodiche piu' adatte per l'analisi delle acque. Il metodo qui riportato, modifica invece la procedura di rilevamento per adeguarla all'analisi di materiale solido, quali sedimento, fango di depurazione, suolo e prodotti di compostaggio e vuole essere uno strumento applicativo di riferimento utile alla pianificazione e all'unificazione delle procedure analitiche per le strutture che operano nel settore del controllo della qualita' igienico-sanitaria ed ambientale di specifiche matrici ambientali.

  10. [TXRF technique and quantitative analysis of mollusc teeth]. (United States)

    Tian, Y; Liu, K; Wu, X; Zheng, S


    Total reflection X-ray fluorescence (TXRF) analysis technique and the instrument with a short path, high efficiency, low power and small volume are briefly presented. The detection limit of the system are at pg-level for Cu and Mo target excitation. Teeth of a marine mollusc were measured quantitatively and the spectrum and analysis results were given.

  11. Quantitative analysis of forest fire extinction efficiency

    Directory of Open Access Journals (Sweden)

    Miguel E. Castillo-Soto


    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.

  12. Quantitative analysis of carbon in plutonium

    International Nuclear Information System (INIS)

    Lefevre, Chantal.


    The aim of this study is to develop a method for the determination of carbon traces (20 to 400 ppm) in plutonium. The development of a carbon in plutonium standard is described, then the content of this substance is determined and its validity as a standard shown by analysis in two different ways. In the first method used, reaction of the metal with sulphur and determination of carbon as carbon sulphide, the following parameters were studied: influence of excess reagent, surface growth of samples in contact with sulphur, temperature and reaction time. The results obtained are in agreement with those obtained by the conventional method of carbon determination, combustion in oxygen and measurement of carbon in the form of carbon dioxide. Owing to the presence of this standard we were then able to study the different parameters involved in plutonium combustion so that the reaction can be made complete: temperature reached during combustion, role of flux, metal surface in contact with oxygen and finally method of cleaning plutonium samples [fr

  13. Quantitative detection of chemical compounds in human hair with coherent anti-Stokes Raman scattering microscopy (United States)

    Zimmerley, Maxwell; Lin, Chia-Yu; Oertel, David C.; Marsh, Jennifer M.; Ward, Jimmie L.; Potma, Eric Olaf


    Coherent anti-Stokes Raman scattering (CARS) microscopy is used to determine the distribution and concentration of selected compounds in intact human hair. By generating images based on ratiometric CARS contrast, quantitative concentration maps of both water and externally applied d-glycine are produced in the cortex of human hair fibers. Both water and d-glycine are found to homogeneously distribute throughout the cortical regions of the hair. The ability to selectively detect molecular agents in hair fibers is of direct relevance to understanding the chemical and physical mechanisms that underlie the performance of hair-care products.

  14. Chemical analysis of high purity graphite

    International Nuclear Information System (INIS)


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

  15. Service activities of chemical analysis division

    International Nuclear Information System (INIS)

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


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

  16. Molecular activation analysis for chemical species studies

    International Nuclear Information System (INIS)

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


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

  17. A quantitative analysis of the F18 flight control system (United States)

    Doyle, Stacy A.; Dugan, Joanne B.; Patterson-Hine, Ann


    This paper presents an informal quantitative analysis of the F18 flight control system (FCS). The analysis technique combines a coverage model with a fault tree model. To demonstrate the method's extensive capabilities, we replace the fault tree with a digraph model of the F18 FCS, the only model available to us. The substitution shows that while digraphs have primarily been used for qualitative analysis, they can also be used for quantitative analysis. Based on our assumptions and the particular failure rates assigned to the F18 FCS components, we show that coverage does have a significant effect on the system's reliability and thus it is important to include coverage in the reliability analysis.

  18. Quantitative Proteomic and Phosphoproteomic Analysis of Trypanosoma cruzi Amastigogenesis

    DEFF Research Database (Denmark)

    Queiroz, Rayner M L; Charneau, Sebastien; Mandacaru, Samuel C


    this well-established differentiation protocol to perform a comprehensive quantitative proteomic and phosphoproteomic analysis of the T. cruzi amastigogenesis. Samples from fully differentiated forms and two biologically relevant intermediate time points were Lys-C/trypsin digested, i......TRAQ-labeled and multiplexed. Subsequently, phosphopeptides were enriched using TiO2 matrix. Non-phosphorylated peptides were HILIC-fractionated prior to LC-MS/MS analysis. LC-MS/MS and bioinformatics procedures were used for protein and phosphopeptide quantitation, identification and phosphorylation site assignment. We could...... induced by incubation in acidic medium were also evinced. To our knowledge, this work is the most comprehensive quantitative proteomics study of the T. cruzi amastigogenesis and this data will provide trustworthy basis for future studies and possibly for new potential drug targets....

  19. Alternative Equation on Magnetic Pair Distribution Function for Quantitative Analysis (United States)

    Kodama, Katsuaki; Ikeda, Kazutaka; Shamoto, Shin-ichi; Otomo, Toshiya


    We derive an alternative equation of magnetic pair distribution function (mPDF) related to the mPDF equation given in a preceding study [B. A. Frandsen, X. Yang, and S. J. L. Billinge," xlink:type="simple">Acta Crystallogr., Sect. A 70, 3 (2014)] for quantitative analysis of realistic experimental data. The additional term related to spontaneous magnetization included in the equation is particularly important for the mPDF analysis of ferromagnetic materials. Quantitative estimation of mPDF from neutron diffraction data is also shown. The experimental mPDFs estimated from the neutron diffraction data of the ferromagnet MnSb and the antiferromagnet MnF2 are quantitatively consistent with the mPDFs calculated using the presented equation.

  20. Correlation and path coefficient analysis of some quantitative traits ...

    African Journals Online (AJOL)

    Thirty-seven wheat genotypes and three check varieties were studied for correlation and path coefficient analysis of some quantitative traits in wheat at Kisan (P.G), College, Simbhaoli in India. Generally, the estimates of genotypic correlation coefficients were higher than the corresponding phenotypic correlation coefficients ...

  1. Quantitative Analysis of Complex Tropical Forest Stands: A Review ...

    African Journals Online (AJOL)


    Disciplinary Journal, Ethiopia. Vol. 4 (3a) July, 2010. ISSN 1994-9057 (Print). ISSN 2070-0083 (Online). Quantitative Analysis of Complex Tropical Forest. Stands: A Review (Pp. 367-377). Oyebade, B. A. - Forest Biometrics & Measurement Unit, ...

  2. Quantitative Analysis of Complex Tropical Forest Stands: A Review ...

    African Journals Online (AJOL)

    The importance of data analysis in quantitative assessment of natural resources remains significant in the sustainable management of complex tropical forest resources. Analyses of data from complex tropical forest stands have not been easy or clear due to improper data management. It is pivotal to practical researches ...

  3. Quantitative analysis of microtubule transport in growing nerve processes

    DEFF Research Database (Denmark)

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


    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...

  4. Insights Into Quantitative Biology: analysis of cellular adaptation


    Agoni, Valentina


    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.

  5. Qualitative and quantitative analysis of catechin and quercetin in ...

    African Journals Online (AJOL)

    Purpose: To perform a qualitative and quantitative analysis of catechin and quercetin in flavonoids extracted from Rosa roxburghii Tratt. Methods: Total flavonoids were determined using ultraviolet spectrophotometry (UV) at 500 nm. The optimal gradient program started with 15 % methanol and was kept within a period of 0 ...

  6. Quantitative analysis of intermolecular interactions in 2, 2'-((4 ...

    Indian Academy of Sciences (India)

    The relative contributions of various intermolecular contacts in the title compound and its closely related analogs are evaluated using Hirshfeld surface analysis and the decomposed fingerprint plots. The common packing features exist between the title compound and its related analogs are identified.The quantitative ...

  7. Quantitating the subtleties of microglial morphology with fractal analysis (United States)

    Karperien, Audrey; Ahammer, Helmut; Jelinek, Herbert F.


    It is well established that microglial form and function are inextricably linked. In recent years, the traditional view that microglial form ranges between “ramified resting” and “activated amoeboid” has been emphasized through advancing imaging techniques that point to microglial form being highly dynamic even within the currently accepted morphological categories. Moreover, microglia adopt meaningful intermediate forms between categories, with considerable crossover in function and varying morphologies as they cycle, migrate, wave, phagocytose, and extend and retract fine and gross processes. From a quantitative perspective, it is problematic to measure such variability using traditional methods, but one way of quantitating such detail is through fractal analysis. The techniques of fractal analysis have been used for quantitating microglial morphology, to categorize gross differences but also to differentiate subtle differences (e.g., amongst ramified cells). Multifractal analysis in particular is one technique of fractal analysis that may be useful for identifying intermediate forms. Here we review current trends and methods of fractal analysis, focusing on box counting analysis, including lacunarity and multifractal analysis, as applied to microglial morphology. PMID:23386810


    African Journals Online (AJOL)

    CHEMICAL ANALYSIS OF THE ASSALE (ETHIOPIA) ROCK SALT DEPOSIT. Yigzaw Binega. Ministry of Mines ... GEOLOGY OF THE ROCK-SALT DEPOSIT AREA. The Danakil Depression is a ... meters thick salt rafts that exhibit prismatic polygonal fabric are commonly observed (Figure 2). [3]. EXPERIMENTAL. The rock ...

  9. Calibrating Detailed Chemical Analysis of M dwarfs (United States)

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


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

  10. Quantitative analysis of regional myocardial performance in coronary artery disease (United States)

    Stewart, D. K.; Dodge, H. T.; Frimer, M.


    Findings from a group of subjects with significant coronary artery stenosis are given. A group of controls determined by use of a quantitative method for the study of regional myocardial performance based on the frame-by-frame analysis of biplane left ventricular angiograms are presented. Particular emphasis was placed upon the analysis of wall motion in terms of normalized segment dimensions, timing and velocity of contraction. The results were compared with the method of subjective assessment used clinically.


    Directory of Open Access Journals (Sweden)

    Demyanenko DV


    Full Text Available Introduction. The article is devoted to the development of techniques for quantitative analysis of lime flower in order to make amendments to existing pharmacopoeian monographs for this herbal drug. Lime inflorescences contain lipophilic biologically active substances (BAS causing notable antimicrobial and anti-inflammatory effects and also more polar phenolic compounds with antiulcer activity. Considering this, it’s necessary to regulate all these groups of BAS quantitatively. Materials and methods. For this study six batches of lime flowers harvested in 2008-2009 yrs. in Kharkiv, Rivno and Zhitomir regions were used as crude herbal drug. Loss on drying was determined by routine pharmacopoeian procedures. Total content of lipophilic substances was determined gravimetrically after Soxhlet extraction of samples 1, 5, 7 and 10 g in weight with methylene chloride, considering that by its extracting ability this solvent is close to liquefied difluorochloromethane (freon R22 used by us for obtaining of lipophilic complexes. The duration of complete analytical extraction was determined by infusion of six 10 g assays of lime flowers during 1, 2, 3, 4, 5, 6 hours, then quantity of lipophilic extractives was revealed gravimetrically. Quantity of essential oil in lime flowers was evaluated under the procedure of ЕР7, 2.8.12. Weight of the herbal drug sample was 200 g, distillation rate – 2,5- 3,5 ml/min, volume of distillation liquid (water – 500 ml, volume of xylene in the graduated tube – 0,50 ml. Total flavonoid content recalculated to quercetin was determined after hydrolysis with acidified acetone, withdrawing of flavonoid aglycones with ethylacetate and by further spectrophotometry of their complexes with aluminium chloride. All quantitative determinations were replicated five times for each assay. All chemicals and reagents were of analytical grade. Results and discussion. It was found that adequate accuracy of the analysis of lipophilic

  12. Improved method and apparatus for chromatographic quantitative analysis (United States)

    Fritz, J.S.; Gjerde, D.T.; Schmuckler, G.

    An improved apparatus and method are described for the quantitative analysis of a solution containing a plurality of anion species by ion exchange chromatography which utilizes a single element and a single ion exchange bed which does not require periodic regeneration. The solution containing the anions is added to an anion exchange resin bed which is a low capacity macroreticular polystyrene-divinylbenzene resin containing quarternary ammonium functional groups, and is eluted therefrom with a dilute solution of a low electrical conductance organic acid salt. As each anion species is eluted from the bed, it is quantitatively sensed by conventional detection means such as a conductivity cell.

  13. Quantitative analysis of culture using millions of digitized books. (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


    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.

  14. Quantitative analysis of culture using millions of digitized books (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


    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

  15. Microfabricated Gas Phase Chemical Analysis Systems

    Energy Technology Data Exchange (ETDEWEB)



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

  16. Quantitative analysis of chromatin accessibility in mouse embryonic fibroblasts. (United States)

    Zhuo, Baowen; Yu, Juan; Chang, Luyuan; Lei, Jiafan; Wen, Zengqi; Liu, Cuifang; Mao, Guankun; Wang, Kehui; Shen, Jie; Xu, Xueqing


    Genomic DNA of eukaryotic cells is hierarchically packaged into chromatin by histones. The dynamic organization of chromatin fibers plays a critical role in the regulation of gene transcription and other DNA-associated biological processes. Recently, numerous approaches have been developed to map the chromatin organization by characterizing chromatin accessibilities in genome-wide. However, reliable methods to quantitatively map chromatin accessibility are not well-established, especially not on a genome-wide scale. Here, we developed a modified MNase-seq for mouse embryonic fibroblasts, wherein chromatin was partially digested at multiple digestion times using micrococcal nuclease (MNase), allowing quantitative analysis of local yet genome-wide chromatin compaction. Our results provide strong evidence that the chromatin accessibility at promoter regions are positively correlated with gene activity. In conclusion, our assay is an ideal tool for the quantitative study of gene regulation in the perspective of chromatin accessibility. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. A strategy to apply quantitative epistasis analysis on developmental traits. (United States)

    Labocha, Marta K; Yuan, Wang; Aleman-Meza, Boanerges; Zhong, Weiwei


    Genetic interactions are keys to understand complex traits and evolution. Epistasis analysis is an effective method to map genetic interactions. Large-scale quantitative epistasis analysis has been well established for single cells. However, there is a substantial lack of such studies in multicellular organisms and their complex phenotypes such as development. Here we present a method to extend quantitative epistasis analysis to developmental traits. In the nematode Caenorhabditis elegans, we applied RNA interference on mutants to inactivate two genes, used an imaging system to quantitatively measure phenotypes, and developed a set of statistical methods to extract genetic interactions from phenotypic measurement. Using two different C. elegans developmental phenotypes, body length and sex ratio, as examples, we showed that this method could accommodate various metazoan phenotypes with performances comparable to those methods in single cell growth studies. Comparing with qualitative observations, this method of quantitative epistasis enabled detection of new interactions involving subtle phenotypes. For example, several sex-ratio genes were found to interact with brc-1 and brd-1, the orthologs of the human breast cancer genes BRCA1 and BARD1, respectively. We confirmed the brc-1 interactions with the following genes in DNA damage response: C34F6.1, him-3 (ortholog of HORMAD1, HORMAD2), sdc-1, and set-2 (ortholog of SETD1A, SETD1B, KMT2C, KMT2D), validating the effectiveness of our method in detecting genetic interactions. We developed a reliable, high-throughput method for quantitative epistasis analysis of developmental phenotypes.

  18. Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium quality spanish aged red wines. (United States)

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


    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.

  19. Qualitative and quantitative analysis of oropharyngeal swallowing in Down syndrome. (United States)

    Sales, André Vinicius Marcondes Natel; Giacheti, Célia Maria; Cola, Paula Cristina; Silva, Roberta Gonçalves da


    To describe the qualitative and quantitative temporal analysis of oropharyngeal swallowing in children diagnosed with Down syndrome (DS) through a case series study of six individuals aged 4 to 17 months (mean age = 11.16 months; median = 12 months). Qualitative and quantitative temporal analysis of swallowing using videofluoroscopy and specific software. The following parameters were assessed: presence or absence of oral incoordination, labial sphincter sealing incompetence, oral residue, posterior oral spillage, laryngotracheal penetration and aspiration, pharyngeal and total oral transit time (TOTT). Qualitative analysis identified individuals with disorders in at least four of the swallowing parameters investigated. Only one individual presented total oral transit time (TOTT) different from the others. No difference was observed between the cases regarding pharyngeal transit time. Qualitative swallowing disorders are observed in children with DS, with difference in TOTT only in the case report of the youngest infant.

  20. Unifying Approach to Analytical Chemistry and Chemical Analysis: Problem-Oriented Role of Chemical Analysis. (United States)

    Pardue, Harry L.; Woo, Jannie


    Proposes an approach to teaching analytical chemistry and chemical analysis in which a problem to be resolved is the focus of a course. Indicates that this problem-oriented approach is intended to complement detailed discussions of fundamental and applied aspects of chemical determinations and not replace such discussions. (JN)

  1. Quantitative and qualitative changes in the lymphocytes of rats chronically exposed to radiation and chemical factors

    International Nuclear Information System (INIS)

    Ivanov, V.V.


    Quantitative and qualitative characteristics of lymphocytes in peripheral blood, thymus and spleen of rats chronically exposed to combined external γ-radiation trichlorfon pesticide effect have been studied. It is shown that chronical combined trichlorfon and γ irradiation effect is accompanied by suppression of lymphopoiesis already at the early stages of the experience. The observed effects are formed depending on both daily and cumulative doses of the effect. The development of the combined effect is based on the summation of effects of chronical effect of ionizing radiation and pesticide. The revealed changes in lymphocytes population exposed to radiation and chemical factors can lead to substantial decrease of natural immunity thereby decreasing to various diseases

  2. Quantitative risk analysis of oil storage facilities in seismic areas. (United States)

    Fabbrocino, Giovanni; Iervolino, Iunio; Orlando, Francesca; Salzano, Ernesto


    Quantitative risk analysis (QRA) of industrial facilities has to take into account multiple hazards threatening critical equipment. Nevertheless, engineering procedures able to evaluate quantitatively the effect of seismic action are not well established. Indeed, relevant industrial accidents may be triggered by loss of containment following ground shaking or other relevant natural hazards, either directly or through cascade effects ('domino effects'). The issue of integrating structural seismic risk into quantitative probabilistic seismic risk analysis (QpsRA) is addressed in this paper by a representative study case regarding an oil storage plant with a number of atmospheric steel tanks containing flammable substances. Empirical seismic fragility curves and probit functions, properly defined both for building-like and non building-like industrial components, have been crossed with outcomes of probabilistic seismic hazard analysis (PSHA) for a test site located in south Italy. Once the seismic failure probabilities have been quantified, consequence analysis has been performed for those events which may be triggered by the loss of containment following seismic action. Results are combined by means of a specific developed code in terms of local risk contour plots, i.e. the contour line for the probability of fatal injures at any point (x, y) in the analysed area. Finally, a comparison with QRA obtained by considering only process-related top events is reported for reference.

  3. An improved quantitative analysis method for plant cortical microtubules. (United States)

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


    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.

  4. Quantitative analysis of professionally trained versus untrained voices. (United States)

    Siupsinskiene, Nora


    The aim of this study was to compare healthy trained and untrained voices as well as healthy and dysphonic trained voices in adults using combined voice range profile and aerodynamic tests, to define the normal range limiting values of quantitative voice parameters and to select the most informative quantitative voice parameters for separation between healthy and dysphonic trained voices. Three groups of persons were evaluated. One hundred eighty six healthy volunteers were divided into two groups according to voice training: non-professional speakers group consisted of 106 untrained voices persons (36 males and 70 females) and professional speakers group--of 80 trained voices persons (21 males and 59 females). Clinical group consisted of 103 dysphonic professional speakers (23 males and 80 females) with various voice disorders. Eighteen quantitative voice parameters from combined voice range profile (VRP) test were analyzed: 8 of voice range profile, 8 of speaking voice, overall vocal dysfunction degree and coefficient of sound, and aerodynamic maximum phonation time. Analysis showed that healthy professional speakers demonstrated expanded vocal abilities in comparison to healthy non-professional speakers. Quantitative voice range profile parameters- pitch range, high frequency limit, area of high frequencies and coefficient of sound differed significantly between healthy professional and non-professional voices, and were more informative than speaking voice or aerodynamic parameters in showing the voice training. Logistic stepwise regression revealed that VRP area in high frequencies was sufficient to discriminate between healthy and dysphonic professional speakers for male subjects (overall discrimination accuracy--81.8%) and combination of three quantitative parameters (VRP high frequency limit, maximum voice intensity and slope of speaking curve) for female subjects (overall model discrimination accuracy--75.4%). We concluded that quantitative voice assessment

  5. Quantitative high-resolution genomic analysis of single cancer cells.

    Directory of Open Access Journals (Sweden)

    Juliane Hannemann

    Full Text Available During cancer progression, specific genomic aberrations arise that can determine the scope of the disease and can be used as predictive or prognostic markers. The detection of specific gene amplifications or deletions in single blood-borne or disseminated tumour cells that may give rise to the development of metastases is of great clinical interest but technically challenging. In this study, we present a method for quantitative high-resolution genomic analysis of single cells. Cells were isolated under permanent microscopic control followed by high-fidelity whole genome amplification and subsequent analyses by fine tiling array-CGH and qPCR. The assay was applied to single breast cancer cells to analyze the chromosomal region centred by the therapeutical relevant EGFR gene. This method allows precise quantitative analysis of copy number variations in single cell diagnostics.

  6. Qualitative and quantitative analysis of lignocellulosic biomass using infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Adapa, P.K.; Tabil, L.G. [Saskatchewan Univ., Saskatoon, SK (Canada). Dept. of Agricultural and Bioresource Engineering; Karunakaran, C. [Saskatchewan Univ., Saskatoon, SK (Canada). Canadian Light Source; Schoenau, G.J. [Saskatchewan Univ., Saskatoon, SK (Canada). Dept. of Mechanical Engineering


    Agricultural biomass or lignocellulosic residues such as barley, canola, oat and wheat straw have the potential to be used as feedstock for the biofuel industry. Low bulk density straw has to be processed and densified after harvest in order to facilitate efficient handling and transportation, and realize any potential economic benefits. Preliminary predictive models were developed to calculate the quantity of lignocellulosic components (cellulose, hemicelluloses and lignin) of agricultural biomass (barley, canola, oat and wheat straw) by using Fourier transform infrared spectroscopy (FT-IR). It was important to estimate critical parameters through analytical specification of lignocellulosic biomass and consequently the development and validation of a procedure for the qualitative and quantitative analysis of cellulose-hemicellulose-lignin composition. The paper discussed the materials and methods, including sample material preparation; reference material preparation; measured data; FT-IR equipment; and quantitative analysis. 54 refs., 5 tabs., 10 figs.

  7. QuantUM: Quantitative Safety Analysis of UML Models

    Directory of Open Access Journals (Sweden)

    Florian Leitner-Fischer


    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.

  8. A quantitative analysis of coupled oscillations using mobile accelerometer sensors (United States)

    Castro-Palacio, Juan Carlos; Velázquez-Abad, Luisberis; Giménez, Fernando; Monsoriu, Juan A.


    In this paper, smartphone acceleration sensors were used to perform a quantitative analysis of mechanical coupled oscillations. Symmetric and asymmetric normal modes were studied separately in the first two experiments. In the third, a coupled oscillation was studied as a combination of the normal modes. Results indicate that acceleration sensors of smartphones, which are very familiar to students, represent valuable measurement instruments for introductory and first-year physics courses.

  9. A quantitative analysis of coupled oscillations using mobile accelerometer sensors

    International Nuclear Information System (INIS)

    Castro-Palacio, Juan Carlos; Velázquez-Abad, Luisberis; Giménez, Fernando; Monsoriu, Juan A


    In this paper, smartphone acceleration sensors were used to perform a quantitative analysis of mechanical coupled oscillations. Symmetric and asymmetric normal modes were studied separately in the first two experiments. In the third, a coupled oscillation was studied as a combination of the normal modes. Results indicate that acceleration sensors of smartphones, which are very familiar to students, represent valuable measurement instruments for introductory and first-year physics courses. (paper)

  10. Chemical analysis of refractories by plasma spectrometry

    International Nuclear Information System (INIS)

    Coutinho, C.A.


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

  11. Quantum Chemical Strain Analysis For Mechanochemical Processes. (United States)

    Stauch, Tim; Dreuw, Andreas


    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

  12. Quantitative chemical imaging with background-free multiplex coherent anti-Stokes Raman scattering by dual-soliton Stokes pulses (United States)

    Chen, Kun; Wu, Tao; Wei, Haoyun; Zhou, Tian; Li, Yan


    Coherent anti-Stokes Raman microscopy (CARS) is a quantitative, chemically specific, and label-free optical imaging technique for studying inhomogeneous systems. However, the complicating influence of the nonresonant response on the CARS signal severely limits its sensitivity and specificity and especially limits the extent to which CARS microscopy has been used as a fully quantitative imaging technique. On the basis of spectral focusing mechanism, we establish a dual-soliton Stokes based CARS microspectroscopy and microscopy scheme capable of quantifying the spatial information of densities and chemical composition within inhomogeneous samples, using a single fiber laser. Dual-soliton Stokes scheme not only removes the nonresonant background but also allows robust acquisition of multiple characteristic vibrational frequencies. This all-fiber based laser source can cover the entire fingerprint (800-2200 cm−1) region with a spectral resolution of 15 cm−1. We demonstrate that quantitative degree determination of lipid-chain unsaturation in the fatty acids mixture can be achieved by the characterization of C = C stretching and CH2 deformation vibrations. For microscopy purposes, we show that the spatially inhomogeneous distribution of lipid droplets can be further quantitatively visualized using this quantified degree of lipid unsaturation in the acyl chain for contrast in the hyperspectral CARS images. The combination of compact excitation source and background-free capability to facilitate extraction of quantitative composition information with multiplex spectral peaks will enable wider applications of quantitative chemical imaging in studying biological and material systems. PMID:27867704

  13. Novel approach in quantitative analysis of shearography method

    International Nuclear Information System (INIS)

    Wan Saffiey Wan Abdullah


    The application of laser interferometry in industrial non-destructive testing and material characterization is becoming more prevalent since this method provides non-contact full-field inspection of the test object. However their application only limited to the qualitative analysis, current trend has changed to the development of this method by the introduction of quantitative analysis, which attempts to detail the defect examined. This being the design feature for a ranges of object size to be examined. The growing commercial demand for quantitative analysis for NDT and material characterization is determining the quality of optical and analysis instrument. However very little attention is currently being paid to understanding, quantifying and compensating for the numerous error sources which are a function of interferometers. This paper presents a comparison of measurement analysis using the established theoretical approach and the new approach, taken into account the factor of divergence illumination and other geometrical factors. The difference in the measurement system could be associated in the error factor. (Author)

  14. Quantitative subsurface analysis using frequency modulated thermal wave imaging (United States)

    Subhani, S. K.; Suresh, B.; Ghali, V. S.


    Quantitative depth analysis of the anomaly with an enhanced depth resolution is a challenging task towards the estimation of depth of the subsurface anomaly using thermography. Frequency modulated thermal wave imaging introduced earlier provides a complete depth scanning of the object by stimulating it with a suitable band of frequencies and further analyzing the subsequent thermal response using a suitable post processing approach to resolve subsurface details. But conventional Fourier transform based methods used for post processing unscramble the frequencies with a limited frequency resolution and contribute for a finite depth resolution. Spectral zooming provided by chirp z transform facilitates enhanced frequency resolution which can further improves the depth resolution to axially explore finest subsurface features. Quantitative depth analysis with this augmented depth resolution is proposed to provide a closest estimate to the actual depth of subsurface anomaly. This manuscript experimentally validates this enhanced depth resolution using non stationary thermal wave imaging and offers an ever first and unique solution for quantitative depth estimation in frequency modulated thermal wave imaging.

  15. Quantitative analysis of phytosterols in edible oils using APCI liquid chromatography-tandem mass spectrometry (United States)

    Mo, Shunyan; Dong, Linlin; Hurst, W. Jeffrey; van Breemen, Richard B.


    Previous methods for the quantitative analysis of phytosterols have usually used GC-MS and require elaborate sample preparation including chemical derivatization. Other common methods such as HPLC with absorbance detection do not provide information regarding the identity of the analytes. To address the need for an assay that utilizes mass selectivity while avoiding derivatization, a quantitative method based on LC-tandem mass spectrometry (LC-MS-MS) was developed and validated for the measurement of six abundant dietary phytosterols and structurally related triterpene alcohols including brassicasterol, campesterol, cycloartenol, β-sitosterol, stigmasterol, and lupeol in edible oils. Samples were saponified, extracted with hexane and then analyzed using reversed phase HPLC with positive ion atmospheric pressure chemical ionization tandem mass spectrometry and selected reaction monitoring. The utility of the LC-MS-MS method was demonstrated by analyzing 14 edible oils. All six compounds were present in at least some of the edible oils. The most abundant phytosterol in all samples was β-sitosterol, which was highest in corn oil at 4.35 ± 0.03 mg/g, followed by campesterol in canola oil at 1.84 ± 0.01 mg/g. The new LC-MS-MS method for the quantitative analysis of phytosterols provides a combination of speed, selectivity and sensitivity that exceed those of previous assays. PMID:23884629

  16. Risk prediction, safety analysis and quantitative probability methods - a caveat

    International Nuclear Information System (INIS)

    Critchley, O.H.


    Views are expressed on the use of quantitative techniques for the determination of value judgements in nuclear safety assessments, hazard evaluation, and risk prediction. Caution is urged when attempts are made to quantify value judgements in the field of nuclear safety. Criteria are given the meaningful application of reliability methods but doubts are expressed about their application to safety analysis, risk prediction and design guidances for experimental or prototype plant. Doubts are also expressed about some concomitant methods of population dose evaluation. The complexities of new designs of nuclear power plants make the problem of safety assessment more difficult but some possible approaches are suggested as alternatives to the quantitative techniques criticized. (U.K.)

  17. Quantitative analysis of macro-ARG using IP system

    International Nuclear Information System (INIS)

    Nakajima, Eiichi; Kawai, Kenji; Furuta, Yoshitake


    Recent progress in imaging plate (IP) system allow us to analyze autoradiographic images quantitatively. In the 'whole-body autoradiography', a method clarify the distribution of radioisotope or labeled compounds in the tissues and organs in a freeze-dried whole-body section of small animals such as rats and mice, the sections are pressed against a IP for exposure and the IP is scanned by Bio-Imaging Analyzer (Fuji Photo Film Co., Ltd) and a digital autoradiographic image is given. Quantitative data concerning the activity in different tissues can be obtained using an isotope scale as a reference source. Fading effect, application of IP system for distribution of receptor binding ARG, analysis of radio-spots on TLC and radioactive concentration in liquid such as blood are also discussed. (author)

  18. Quantitative 3D analysis of huge nanoparticle assemblies. (United States)

    Zanaga, Daniele; Bleichrodt, Folkert; Altantzis, Thomas; Winckelmans, Naomi; Palenstijn, Willem Jan; Sijbers, Jan; de Nijs, Bart; van Huis, Marijn A; Sánchez-Iglesias, Ana; Liz-Marzán, Luis M; van Blaaderen, Alfons; Batenburg, K Joost; Bals, Sara; Van Tendeloo, Gustaaf


    Nanoparticle assemblies can be investigated in 3 dimensions using electron tomography. However, it is not straightforward to obtain quantitative information such as the number of particles or their relative position. This becomes particularly difficult when the number of particles increases. We propose a novel approach in which prior information on the shape of the individual particles is exploited. It improves the quality of the reconstruction of these complex assemblies significantly. Moreover, this quantitative Sparse Sphere Reconstruction approach yields directly the number of particles and their position as an output of the reconstruction technique, enabling a detailed 3D analysis of assemblies with as many as 10,000 particles. The approach can also be used to reconstruct objects based on a very limited number of projections, which opens up possibilities to investigate beam sensitive assemblies where previous reconstructions with the available electron tomography techniques failed.

  19. What Really Happens in Quantitative Group Research? Results of a Content Analysis of Recent Quantitative Research in "JSGW" (United States)

    Boyle, Lauren H.; Whittaker, Tiffany A.; Eyal, Maytal; McCarthy, Christopher J.


    The authors conducted a content analysis on quantitative studies published in "The Journal for Specialists in Group Work" ("JSGW") between 2012 and 2015. This brief report provides a general overview of the current practices of quantitative group research in counseling. The following study characteristics are reported and…

  20. Qualitative and quantitative analysis of volatile constituents from latrines. (United States)

    Lin, Jianming; Aoll, Jackline; Niclass, Yvan; Velazco, Maria Inés; Wünsche, Laurent; Pika, Jana; Starkenmann, Christian


    More than 2.5 billion people defecate in the open. The increased commitment of private and public organizations to improving this situation is driving the research and development of new technologies for toilets and latrines. Although key technical aspects are considered by researchers when designing new technologies for developing countries, the basic aspect of offending malodors from human waste is often neglected. With the objective of contributing to technical solutions that are acceptable to global consumers, we investigated the chemical composition of latrine malodors sampled in Africa and India. Field latrines in four countries were evaluated olfactively and the odors qualitatively and quantitatively characterized with three analytical techniques. Sulfur compounds including H2S, methyl mercaptan, and dimethyl-mono-(di;tri) sulfide are important in sewage-like odors of pit latrines under anaerobic conditions. Under aerobic conditions, in Nairobi for example, paracresol and indole reached concentrations of 89 and 65 μg/g, respectively, which, along with short chain fatty acids such as butyric acid (13 mg/g) explained the strong rancid, manure and farm yard odor. This work represents the first qualitative and quantitative study of volatile compounds sampled from seven pit latrines in a variety of geographic, technical, and economic contexts in addition to three single stools from India and a pit latrine model system.

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

    International Nuclear Information System (INIS)

    Ortega, R.


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

    Directory of Open Access Journals (Sweden)

    Beccat P.


    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.

  3. Quantitative analysis of myocardial tissue with digital autofluorescence microscopy

    DEFF Research Database (Denmark)

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


    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...... quantitation along with accurate outlines of above-mentioned components. The digital quantitations are verified by comparison to point grid quantitations performed on the microsections after Van Gieson staining. CONCLUSION: The presented method is amply described as a prestain multicomponent quantitation...

  4. Activation and chemical analysis of drinking waters

    International Nuclear Information System (INIS)

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


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


    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...

  6. Quantitative option analysis for implementation and management of landfills. (United States)

    Kerestecioğlu, Merih


    The selection of the most feasible strategy for implementation of landfills is a challenging step. Potential implementation options of landfills cover a wide range, from conventional construction contracts to the concessions. Montenegro, seeking to improve the efficiency of the public services while maintaining affordability, was considering privatisation as a way to reduce public spending on service provision. In this study, to determine the most feasible model for construction and operation of a regional landfill, a quantitative risk analysis was implemented with four steps: (i) development of a global risk matrix; (ii) assignment of qualitative probabilities of occurrences and magnitude of impacts; (iii) determination of the risks to be mitigated, monitored, controlled or ignored; (iv) reduction of the main risk elements; and (v) incorporation of quantitative estimates of probability of occurrence and expected impact for each risk element in the reduced risk matrix. The evaluated scenarios were: (i) construction and operation of the regional landfill by the public sector; (ii) construction and operation of the landfill by private sector and transfer of the ownership to the public sector after a pre-defined period; and (iii) operation of the landfill by the private sector, without ownership. The quantitative risk assessment concluded that introduction of a public private partnership is not the most feasible option, unlike the common belief in several public institutions in developing countries. A management contract for the first years of operation was advised to be implemented, after which, a long term operating contract may follow. © The Author(s) 2016.

  7. A quantitative analysis of IRAS maps of molecular clouds (United States)

    Wiseman, Jennifer J.; Adams, Fred C.


    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.

  8. Fluorescent foci quantitation for high-throughput analysis

    Directory of Open Access Journals (Sweden)

    Elena Ledesma-Fernández


    Full Text Available 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.

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

    Directory of Open Access Journals (Sweden)

    Peterhansel Christoph


    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.

  10. Simulating realistic predator signatures in quantitative fatty acid signature analysis (United States)

    Bromaghin, Jeffrey F.


    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.

  11. [Quality evaluation of rhubarb dispensing granules based on multi-component simultaneous quantitative analysis and bioassay]. (United States)

    Tan, Peng; Zhang, Hai-Zhu; Zhang, Ding-Kun; Wu, Shan-Na; Niu, Ming; Wang, Jia-Bo; Xiao, Xiao-He


    This study attempts to evaluate the quality of Chinese formula granules by combined use of multi-component simultaneous quantitative analysis and bioassay. The rhubarb dispensing granules were used as the model drug for demonstrative study. The ultra-high performance liquid chromatography (UPLC) method was adopted for simultaneously quantitative determination of the 10 anthraquinone derivatives (such as aloe emodin-8-O-β-D-glucoside) in rhubarb dispensing granules; purgative biopotency of different batches of rhubarb dispensing granules was determined based on compound diphenoxylate tablets-induced mouse constipation model; blood activating biopotency of different batches of rhubarb dispensing granules was determined based on in vitro rat antiplatelet aggregation model; SPSS 22.0 statistical software was used for correlation analysis between 10 anthraquinone derivatives and purgative biopotency, blood activating biopotency. The results of multi-components simultaneous quantitative analysisshowed that there was a great difference in chemical characterizationand certain differences inpurgative biopotency and blood activating biopotency among 10 batches of rhubarb dispensing granules. The correlation analysis showed that the intensity of purgative biopotency was significantly correlated with the content of conjugated anthraquinone glycosides (Pquantitative analysis and bioassay can achieve objective quantification and more comprehensive reflection on overall quality difference among different batches of rhubarb dispensing granules. Copyright© by the Chinese Pharmaceutical Association.

  12. Quantitative surface analysis using deuteron-induced nuclear reactions

    International Nuclear Information System (INIS)

    Afarideh, Hossein


    The nuclear reaction analysis (NRA) technique consists of looking at the energies of the reaction products which uniquely define the particular elements present in the sample and it analysis the yield/energy distribution to reveal depth profiles. A summary of the basic features of the nuclear reaction analysis technique is given, in particular emphasis is placed on quantitative light element determination using (d,p) and (d,alpha) reactions. The experimental apparatus is also described. Finally a set of (d,p) spectra for the elements Z=3 to Z=17 using 2 MeV incident deutrons is included together with example of more applications of the (d,alpha) spectra. (author)

  13. Quantitative analysis of light elements in aerosol samples by PIGE

    International Nuclear Information System (INIS)

    Mateus, R.; Reis, M.A.; Jesus, A.P.; Ribeiro, J.P.


    Quantitative PIGE analysis of aerosol samples collected on nuclepore polycarbonate filters was performed by a method that avoids the use of comparative standards. Nuclear cross sections and calibration parameters established before in an extensive work on thick and intermediate samples were employed. For these samples, the excitation functions of nuclear reactions, induced by the incident protons on target's light elements, were used as input for a code that evaluates the gamma-ray yield integrating along the depth of the sample. In the present work we apply the same code to validate the use of an effective energy for thin sample analysis. Results pertaining to boron, fluorine and sodium concentrations are presented. In order to establish a correlation with sodium values, PIXE results related to chlorine are also presented, giving support to the reliability of this PIGE method for thin film analysis

  14. Program for the quantitative and qualitative analysis of

    International Nuclear Information System (INIS)

    Tepelea, V.; Purice, E.; Dan, R.; Calcev, G.; Domnisan, M.; Galis, V.; Teodosiu, G.; Debert, C.; Mocanu, N.; Nastase, M.


    A computer code for processing of data from neutron activation analysis is described. The code is capable of qualitative and quantitative analysis of regular spectra from neutron irradiated samples, measured by a Ge(li) detector. Multichannel analysers with 1024 channels, such as TN 1705 or a Romanian made MCA 79, and an ITC interface can be used. The code is implemented on FELIX M118 and FELIX M216 microcomputers. Spectrum processing is performed off line, after storing the data on a floppy disk. The background is assumed to be a polynomial of first, second or third degree. Qualitative analysis is performed by recursive least square, Gaussian curve fitting. The elements are identified using a polynomial relation between energy and channel, obtained by calibration with a standard sample

  15. The cost of electricity distribution in Italy: a quantitative analysis

    International Nuclear Information System (INIS)

    Scarpa, C.


    This paper presents a quantitative analysis of the cost of medium and low tension electricity distribution in Italy. An econometric analysis of the cost function is proposed, on the basis of data on 147 zones of the dominant firm, ENEL. Data are available only for 1996, which has forced to carry out only a cross-section OLS analysis. The econometric estimate shows the existence of significant scale economies, that the current organisational structure does not exploit. On this basis is also possible to control to what extent exogenous cost drivers affect costs. The role of numerous exogenous factors considered seems however quite limited. The area of the distribution zone and an indicator of quality are the only elements that appear significant from an economic viewpoint [it

  16. Some selected quantitative methods of thermal image analysis in Matlab. (United States)

    Koprowski, Robert


    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. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.


    Ahn, Yeong Hee; Kim, Jin Young; Yoo, Jong Shin


    Mass spectrometry (MS) has been a core technology for high sensitive and high-throughput analysis of the enriched glycoproteome in aspects of quantitative assays as well as qualitative profiling of glycoproteins. Because it has been widely recognized that aberrant glycosylation in a glycoprotein may involve in progression of a certain disease, the development of efficient analysis tool for the aberrant glycoproteins is very important for deep understanding about pathological function of the glycoprotein and new biomarker development. This review first describes the protein glycosylation-targeting enrichment technologies mainly employing solid-phase extraction methods such as hydrizide-capturing, lectin-specific capturing, and affinity separation techniques based on porous graphitized carbon, hydrophilic interaction chromatography, or immobilized boronic acid. Second, MS-based quantitative analysis strategies coupled with the protein glycosylation-targeting enrichment technologies, by using a label-free MS, stable isotope-labeling, or targeted multiple reaction monitoring (MRM) MS, are summarized with recent published studies. © 2014 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc. Rapid Commun. Mass Spec Rev 34:148–165, 2015. PMID:24889823

  18. Correlative SEM SERS for quantitative analysis of dimer nanoparticles. (United States)

    Timmermans, F J; Lenferink, A T M; van Wolferen, H A G M; Otto, C


    A Raman microscope integrated with a scanning electron microscope was used to investigate plasmonic structures by correlative SEM-SERS analysis. The integrated Raman-SEM microscope combines high-resolution electron microscopy information with SERS signal enhancement from selected nanostructures with adsorbed Raman reporter molecules. Correlative analysis is performed for dimers of two gold nanospheres. Dimers were selected on the basis of SEM images from multi aggregate samples. The effect of the orientation of the dimer with respect to the polarization state of the laser light and the effect of the particle gap size on the Raman signal intensity is observed. Additionally, calculations are performed to simulate the electric near field enhancement. These simulations are based on the morphologies observed by electron microscopy. In this way the experiments are compared with the enhancement factor calculated with near field simulations and are subsequently used to quantify the SERS enhancement factor. Large differences between experimentally observed and calculated enhancement factors are regularly detected, a phenomenon caused by nanoscale differences between the real and 'simplified' simulated structures. Quantitative SERS experiments reveal the structure induced enhancement factor, ranging from ∼200 to ∼20 000, averaged over the full nanostructure surface. The results demonstrate correlative Raman-SEM microscopy for the quantitative analysis of plasmonic particles and structures, thus enabling a new analytical method in the field of SERS and plasmonics.

  19. Quantitative imaging analysis of posterior fossa ependymoma location in children. (United States)

    Sabin, Noah D; Merchant, Thomas E; Li, Xingyu; Li, Yimei; Klimo, Paul; Boop, Frederick A; Ellison, David W; Ogg, Robert J


    Imaging descriptions of posterior fossa ependymoma in children have focused on magnetic resonance imaging (MRI) signal and local anatomic relationships with imaging location only recently used to classify these neoplasms. We developed a quantitative method for analyzing the location of ependymoma in the posterior fossa, tested its effectiveness in distinguishing groups of tumors, and examined potential associations of distinct tumor groups with treatment and prognostic factors. Pre-operative MRI examinations of the brain for 38 children with histopathologically proven posterior fossa ependymoma were analyzed. Tumor margin contours and anatomic landmarks were manually marked and used to calculate the centroid of each tumor. Landmarks were used to calculate a transformation to align, scale, and rotate each patient's image coordinates to a common coordinate space. Hierarchical cluster analysis of the location and morphological variables was performed to detect multivariate patterns in tumor characteristics. The ependymomas were also characterized as "central" or "lateral" based on published radiological criteria. Therapeutic details and demographic, recurrence, and survival information were obtained from medical records and analyzed with the tumor location and morphology to identify prognostic tumor characteristics. Cluster analysis yielded two distinct tumor groups based on centroid location The cluster groups were associated with differences in PFS (p = .044), "central" vs. "lateral" radiological designation (p = .035), and marginally associated with multiple operative interventions (p = .064). Posterior fossa ependymoma can be objectively classified based on quantitative analysis of tumor location, and these classifications are associated with prognostic and treatment factors.

  20. Quantitative analysis of peel-off degree for printed electronics (United States)

    Park, Janghoon; Lee, Jongsu; Sung, Ki-Hak; Shin, Kee-Hyun; Kang, Hyunkyoo


    We suggest a facile methodology of peel-off degree evaluation by image processing on printed electronics. The quantification of peeled and printed areas was performed using open source programs. To verify the accuracy of methods, we manually removed areas from the printed circuit that was measured, resulting in 96.3% accuracy. The sintered patterns showed a decreasing tendency in accordance with the increase in the energy density of an infrared lamp, and the peel-off degree increased. Thus, the comparison between both results was presented. Finally, the correlation between performance characteristics was determined by quantitative analysis.

  1. Quantitative methods for the analysis of electron microscope images

    DEFF Research Database (Denmark)

    Skands, Peter Ulrik Vallø


    in a number work cases. These mainly falls in the three categories: (i) Description of coarse scale measures to quantify surface structure or texture (topography); (ii) Characterization of fracture surfaces in steels (fractography); (iii) Grain boundary segmentation in sintered ceramics. The theoretical...... 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...

  2. Frequency-Domain Response Analysis for Quantitative Systems Pharmacology Models. (United States)

    Schulthess, Pascal; Post, Teun M; Yates, James; van der Graaf, Piet H


    Drug dosing regimen can significantly impact drug effect and, thus, the success of treatments. Nevertheless, trial and error is still the most commonly used method by conventional pharmacometric approaches to optimize dosing regimen. In this tutorial, we utilize four distinct classes of quantitative systems pharmacology models to introduce frequency-domain response analysis, a method widely used in electrical and control engineering that allows the analytical optimization of drug treatment regimen from the dynamics of the model. © 2017 The Authors CPT: Pharmacometrics & Systems Pharmacology published by Wiley Periodicals, Inc. on behalf of American Society for Clinical Pharmacology and Therapeutics.

  3. Quantitative Determination of Catechin as Chemical Marker in Pediatric Polyherbal Syrup by HPLC/DAD. (United States)

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


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

  4. A quantitative analysis of the reactions involved in stratospheric ozone depletion in the polar vortex core (United States)

    Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus


    We present a quantitative analysis of the chemical reactions involved in polar ozone depletion in the stratosphere and of the relevant reaction pathways and cycles. While the reactions involved in polar ozone depletion are well known, quantitative estimates of the importance of individual reactions or reaction cycles are rare. In particular, there is no comprehensive and quantitative study of the reaction rates and cycles averaged over the polar vortex under conditions of heterogeneous chemistry so far. We show time series of reaction rates averaged over the core of the polar vortex in winter and spring for all relevant reactions and indicate which reaction pathways and cycles are responsible for the vortex-averaged net change of the key species involved in ozone depletion, i.e., ozone, chlorine species (ClOx, HCl, ClONO2), bromine species, nitrogen species (HNO3, NOx) and hydrogen species (HOx). For clarity, we focus on one Arctic winter (2004-2005) and one Antarctic winter (2006) in a layer in the lower stratosphere around 54 hPa and show results for additional pressure levels and winters in the Supplement. Mixing ratios and reaction rates are obtained from runs of the ATLAS Lagrangian chemistry and transport model (CTM) driven by the European Centre for Medium-Range Weather Forecasts (ECMWF) ERA-Interim reanalysis data. An emphasis is put on the partitioning of the relevant chemical families (nitrogen, hydrogen, chlorine, bromine and odd oxygen) and activation and deactivation of chlorine.

  5. A quantitative analysis of the reactions involved in stratospheric ozone depletion in the polar vortex core

    Directory of Open Access Journals (Sweden)

    I. Wohltmann


    Full Text Available We present a quantitative analysis of the chemical reactions involved in polar ozone depletion in the stratosphere and of the relevant reaction pathways and cycles. While the reactions involved in polar ozone depletion are well known, quantitative estimates of the importance of individual reactions or reaction cycles are rare. In particular, there is no comprehensive and quantitative study of the reaction rates and cycles averaged over the polar vortex under conditions of heterogeneous chemistry so far. We show time series of reaction rates averaged over the core of the polar vortex in winter and spring for all relevant reactions and indicate which reaction pathways and cycles are responsible for the vortex-averaged net change of the key species involved in ozone depletion, i.e., ozone, chlorine species (ClOx, HCl, ClONO2, bromine species, nitrogen species (HNO3, NOx and hydrogen species (HOx. For clarity, we focus on one Arctic winter (2004–2005 and one Antarctic winter (2006 in a layer in the lower stratosphere around 54 hPa and show results for additional pressure levels and winters in the Supplement. Mixing ratios and reaction rates are obtained from runs of the ATLAS Lagrangian chemistry and transport model (CTM driven by the European Centre for Medium-Range Weather Forecasts (ECMWF ERA-Interim reanalysis data. An emphasis is put on the partitioning of the relevant chemical families (nitrogen, hydrogen, chlorine, bromine and odd oxygen and activation and deactivation of chlorine.

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

    International Nuclear Information System (INIS)

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


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

  7. Comparison of CT and chemical-shift MRI for differentiating thymoma from non-thymomatous conditions in myasthenia gravis: value of qualitative and quantitative assessment

    International Nuclear Information System (INIS)

    Priola, A.M.; Priola, S.M.; Gned, D.; Giraudo, M.T.; Fornari, A.; Veltri, A.


    Aim: To evaluate the usefulness of computed tomography (CT) and chemical-shift magnetic resonance imaging (MRI) in patients with myasthenia gravis (MG) for differentiating thymoma (THY) from thymic lymphoid hyperplasia (TLH) and normal thymus (NT), and to determine which technique is more accurate. Materials and methods: Eighty-three patients with generalised MG who underwent surgery were divided into the TLH/NT group (A; 65 patients) and THY group (B; 24 patients). Differences in qualitative characteristics and quantitative data (CT: radiodensity in Hounsfield units; MRI: signal intensity index [SII]) between groups were tested using Fisher's exact test and Student's t-test. Logistic regression models were estimated for both qualitative and quantitative analyses. At quantitative analysis, discrimination abilities were determined according to the area under the receiver operating characteristic (ROC) curve (AUROC) with computation of optimal cut-off points. The diagnostic accuracies of CT and MRI were compared using McNemar's test. Results: At qualitative assessment, MRI had higher accuracy than CT (96.4%, 80/83 and 86.7%, 72/83, respectively). At quantitative analysis, both the radiodensity and SII were significantly different between groups (p<0.0001). For CT, at quantitative assessment, the AUROC of the radiodensity in discriminating between groups was 0.904 (optimal cut-off point, 20 HU) with an accuracy of 77.1% (64/83). For MRI, the AUROC of the SII was 0.989 (optimal cut-off point, 7.766%) with an accuracy of 96.4% (80/83), which was significantly higher than CT (p<0.0001). By using optimal cut-off points for cases with an erroneous diagnosis at qualitative assessment, accuracy improved both for CT (89.2%, 74/83) and MRI (97.6%, 81/83). Conclusion: Quantitative analysis is useful in evaluating patients with MG and improves the diagnostic accuracy of CT and MRI based on qualitative assessment. Chemical-shift MRI is more reliable than CT in

  8. Chemical analysis of rare earth elements

    International Nuclear Information System (INIS)

    Tsukahara, Ryoichi; Sakoh, Takefumi; Nagai, Iwao


    Recently attention has been paid to ICP-AES or ICP-MS, and the reports on the analysis of rare earth elements by utilizing these methods continue to increase. These reports have become to take about 30% of the reports on rare earth analysis, and this is because these methods are highly sensitive to rare earth elements, and also these methods have spread widely. In ICP-AES and ICP-MS, mostly solution samples are measured, therefore, solids must be made into solution. At the time of quantitatively determining the rare earth elements of low concentration, separation and concentration are necessary. Referring to the literatures reported partially in 1990 and from 1991 to 1993, the progress of ICP-AES and ICP-MS is reported. Rare earth oxides and the alloys containing rare earth elements are easily decomposed with acids, but the decomposition of rocks is difficult, and its method is discussed. The separation of the rare earth elements from others in geochemical samples, cation exchange process is frequently utilized. Also solvent extraction process has been studied. For the separation of rare earth elements mutually, chromatography is used. The spectral interference in spectral analysis was studied. The comparison of these methods with other methods is reported. (K.I)

  9. Quantitative analysis of tellurium in simple substance sulfur

    International Nuclear Information System (INIS)

    Arikawa, Yoshiko


    The MIBK extraction-bismuthiol-2 absorptiometric method for the quantitative analysis of tellurium was studied. The method and its limitation were compared with the atomic absorption method. The period of time required to boil the solution in order to decompose excess hydrogen peroxide and to reduce tellurium from 6 valance to 4 valance was examined. As a result of experiment, the decomposition was fast in the alkaline solution. It takes 30 minutes with alkaline solution and 40 minutes with acid solution to indicate constant absorption. A method of analyzing the sample containing tellurium less than 5 ppm was studied. The experiment revealed that the sample containing a very small amount of tellurium can be analyzed when concentration by extraction is carried out for the sample solutions which are divided into one gram each because it is difficult to treat several grams of the sample at one time. This method also is suitable for the quantitative analysis of selenium. This method showed good addition effect and reproducibility within the relative error of 5%. The comparison between the calibration curve of the standard solution of tellurium 4 subjected to the reaction with bismuthiol-2 and the calibration curve obtained from the extraction of tellurium 4 with MIBK indicated that the extraction is perfect. The result by bismuthiol-2 method and that by atom absorption method coincided quite well on the same sample. (Iwakiri, K.)

  10. Developments in Dynamic Analysis for quantitative PIXE true elemental imaging

    International Nuclear Information System (INIS)

    Ryan, C.G.


    Dynamic Analysis (DA) is a method for projecting quantitative major and trace element images from PIXE event data-streams (off-line or on-line) obtained using the Nuclear Microprobe. The method separates full elemental spectral signatures to produce images that strongly reject artifacts due to overlapping elements, detector effects (such as escape peaks and tailing) and background. The images are also quantitative, stored in ppm-charge units, enabling images to be directly interrogated for the concentrations of all elements in areas of the images. Recent advances in the method include the correction for changing X-ray yields due to varying sample compositions across the image area and the construction of statistical variance images. The resulting accuracy of major element concentrations extracted directly from these images is better than 3% relative as determined from comparisons with electron microprobe point analysis. These results are complemented by error estimates derived from the variance images together with detection limits. This paper provides an update of research on these issues, introduces new software designed to make DA more accessible, and illustrates the application of the method to selected geological problems.

  11. Quantitative analysis of solid samples using modified specular reflectance accessory. (United States)

    Czaja, Tomasz; Mazurek, Sylwester; Szostak, Roman


    Diffuse reflectance Fourier transform infrared spectroscopy (DRIFTS) is a fast, reliable and cost effective analytical method, requiring minimal or no sample preparation. It is commonly used in the course of qualitative and quantitative analysis of pharmaceutical ingredients and food. We demonstrate that simpler and cheaper specular reflectance (SR) accessory working in a DRIFTS like mode (SR-DL) can be an alternative for DIRFTS attachment. An application of a modified SR accessory for quantitative analysis of solids samples is presented. As a case study the concentration of cinnarizine in commercial tablets has been determined from DRIFTS and SR-DL infrared (IR) and near-infrared (NIR) spectra recorded using DTGS (deuterated triglicine sulphate) detector in the IR and NIR regions and InGaAs (indium-gallium arsenide) detector in the NIR range. Based on these spectra Partial Least Squares (PLS) models were constructed and relative standard errors of prediction (RSEP) were calculated for the calibration, validation and analysed data sets. They amounted to 2.4-2.5%, 2.1-2.7% and 2.0-2.6% for the DRIFTS attachment while 2.1-2.2%, 2.0-2.3% and 1.9-2.6%, respectively, for the modified SR accessory. Obtained error values indicate that modified SR accessory can be effectively used for quantification of solid pharmaceutical samples in the mid- and near-infrared regions. Copyright © 2016 Elsevier B.V. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hoette, Trisha Marie


    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.

  13. Fusing Quantitative Requirements Analysis with Model-based Systems Engineering (United States)

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


    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.

  14. Comparison of CT and chemical-shift MRI for differentiating thymoma from non-thymomatous conditions in myasthenia gravis: value of qualitative and quantitative assessment. (United States)

    Priola, A M; Priola, S M; Gned, D; Giraudo, M T; Fornari, A; Veltri, A


    To evaluate the usefulness of computed tomography (CT) and chemical-shift magnetic resonance imaging (MRI) in patients with myasthenia gravis (MG) for differentiating thymoma (THY) from thymic lymphoid hyperplasia (TLH) and normal thymus (NT), and to determine which technique is more accurate. Eighty-three patients with generalised MG who underwent surgery were divided into the TLH/NT group (A; 65 patients) and THY group (B; 24 patients). Differences in qualitative characteristics and quantitative data (CT: radiodensity in Hounsfield units; MRI: signal intensity index [SII]) between groups were tested using Fisher's exact test and Student's t-test. Logistic regression models were estimated for both qualitative and quantitative analyses. At quantitative analysis, discrimination abilities were determined according to the area under the receiver operating characteristic (ROC) curve (AUROC) with computation of optimal cut-off points. The diagnostic accuracies of CT and MRI were compared using McNemar's test. At qualitative assessment, MRI had higher accuracy than CT (96.4%, 80/83 and 86.7%, 72/83, respectively). At quantitative analysis, both the radiodensity and SII were significantly different between groups (pquantitative assessment, the AUROC of the radiodensity in discriminating between groups was 0.904 (optimal cut-off point, 20 HU) with an accuracy of 77.1% (64/83). For MRI, the AUROC of the SII was 0.989 (optimal cut-off point, 7.766%) with an accuracy of 96.4% (80/83), which was significantly higher than CT (pqualitative assessment, accuracy improved both for CT (89.2%, 74/83) and MRI (97.6%, 81/83). Quantitative analysis is useful in evaluating patients with MG and improves the diagnostic accuracy of CT and MRI based on qualitative assessment. Chemical-shift MRI is more reliable than CT in differentiating THYs from non-thymomatous conditions. Copyright © 2015 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.

  15. [Biological analysis of proteinuria in the laboratory: quantitative features]. (United States)

    Le Bricon, T


    Total protein analysis is one of the most frequent laboratory analyses in urine. A proteinuria above 150 mg/L is often observed in a random way in preventive or school medicine (dipsticks) or during laboratory analysis (quantitative determination). Complete (quantitative, then qualitative) and repeated evaluation of proteinuria is of major interest for the clinician to establish a diagnosis of abnormality and for therapeutic follow-up of a nephropathy, uropathy or a non-renal disease (diabetes, multiple myeloma). Most frequent (90% of cases) and severe forms of proteinuria are of glomerular type, associated to the nephrotic syndrome, hypertension, and progressive renal failure. Attention should be paid by the biologist to the pre-analytical phase (specimen collection, treatment, and storage), to clinical data, and to prescription of drugs that could interfere with protein analysis. During the last past 10 years, significant analytical advances have been made: dipstick analysis has been dropped (false positives and most importantly false negatives) as manual precipitation techniques with turbidimetric detection (poor inter-laboratory coefficients of variation, CV), replacement of Coomassie blue by pyrogallol red (improved practicability). Urinary quality control data reflect these positive changes, as demonstrated by a dramatic reduction in reported CVs. There is, however, still no reference method for total urinary protein determination and limits of existing pyrogallol red methods should be emphasized: variable reagent composition between manufacturers (such as the presence of SDS additive), limited sensitivity, difficulty in the choice of a calibration material, underestimation of free light chains, and interference with gelatin based vascular replacement fluids.

  16. Advanced development in chemical analysis of Cordyceps. (United States)

    Zhao, J; Xie, J; Wang, L Y; Li, S P


    Cordyceps sinensis, also called DongChongXiaCao (winter worm summer grass) in Chinese, is a well-known and valued traditional Chinese medicine. In 2006, we wrote a review for discussing the markers and analytical methods in quality control of Cordyceps (J. Pharm. Biomed. Anal. 41 (2006) 1571-1584). Since then this review has been cited by others for more than 60 times, which suggested that scientists have great interest in this special herbal material. Actually, the number of publications related to Cordyceps after 2006 is about 2-fold of that in two decades before 2006 according to the data from Web of Science. Therefore, it is necessary to review and discuss the advanced development in chemical analysis of Cordyceps since then. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Quantitative Analysis of Human Red Blood Cell Proteome. (United States)

    Bryk, Agata H; Wiśniewski, Jacek R


    Red blood cells (RBCs) are the most abundant cell type in the human body. RBCs and, in particular, their plasma membrane composition have been extensively studied for many years. During the past decade proteomics studies have extended our knowledge on RBC composition; however, these studies did not provide quantitative insights. Here we report a large-scale proteomics investigation of RBCs and their "white ghost" membrane fraction. Samples were processed using the multienzyme digestion filter-aided sample preparation (MED-FASP) and analyzed using Q-Exactive mass spectrometer. Protein abundances were computed using the total protein approach (TPA). The validation of the data with stable isotope-labeled peptide-based protein quantification followed. Our in-depth analysis resulted in the identification of 2650 proteins, of which 1890 occurred at more than 100 copies per cell. We quantified 41 membrane transporter proteins spanning an abundance range of five orders of magnitude. Some of these, including the drug transporter ABCA7 and choline transporters SLC44A1 and SLC44A2, have not previously been identified in RBC membranes. Comparison of protein copy numbers assessed by proteomics showed a good correlation with literature data; however, abundances of several proteins were not consistent with the classical references. Because we validated our findings by a targeted analysis using labeled standards, our data suggest that some older reference data from a variety of biochemical approaches are inaccurate. Our study provides the first "in-depth" quantitative analysis of the RBC proteome and will promote future studies of erythrocyte structure, functions, and disease.

  18. The Quantitative Analysis of Chennai Automotive Industry Cluster (United States)

    Bhaskaran, Ethirajan


    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

  19. Quantitative CT analysis of small pulmonary vessels in lymphangioleiomyomatosis

    Energy Technology Data Exchange (ETDEWEB)

    Ando, Katsutoshi, E-mail: [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)


    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.

  20. Quantitative Analysis and Efficient Surface Modification of Silica Nanoparticles

    Directory of Open Access Journals (Sweden)

    Hak-Sung Jung


    Full Text Available Aminofunctional trialkoxysilanes such as aminopropyltrimethoxysilane (APTMS and (3-trimethoxysilylpropyldiethylenetriamine (DETAS were employed as a surface modification molecule for generating monolayer modification on the surface of silica (SiO2 nanoparticles. We were able to quantitatively analyze the number of amine functional groups on the modified SiO2 nanoparticles by acid-base back titration method and determine the effective number of amine functional groups for the successive chemical reaction by absorption measurements after treating with fluorescent rhodamine B isothiocyanate (RITC molecules. The numbers of amine sites measured by back titration were 2.7 and 7.7 ea/nm2 for SiO2-APTMS and SiO2-DETAS, respectively, while the numbers of effective amine sites measured by absorption calibration were about one fifth of the total amine sites, namely, 0.44 and 1.3 ea/nm2 for SiO2-APTMS(RITC and SiO2-DETAS(RITC, respectively. Furthermore, it was confirmed that the reactivity of amino groups on the surface-modified silica nanoparticles could be maintained in ethanol for more than 1.5 months without showing any significant differences in the reactivity.

  1. MR imaging of Minamata disease. Qualitative and quantitative analysis

    International Nuclear Information System (INIS)

    Korogi, Yukunori; Takahashi, Mutsumasa; Sumi, Minako; Hirai, Toshinori; Okuda, Tomoko; Shinzato, Jintetsu; Okajima, Toru.


    Minamata disease (MD), a result of methylmercury poisoning, is a neurological illness caused by ingestion of contaminated seafood. We evaluated MR findings of patients with MD qualitatively and quantitatively. Magnetic resonance imaging at 1.5 Tesla was performed in seven patients with MD and in eight control subjects. All of our patients showed typical neurological findings like sensory disturbance, constriction of the visual fields, and ataxia. In the quantitative image analysis, inferior and middle parts of the cerebellar vermis and cerebellar hemispheres were significantly atrophic in comparison with the normal controls. There were no significant differences in measurements of the basis pontis, middle cerebellar peduncles, corpus callosum, or cerebral hemispheres between MD and the normal controls. The calcarine sulci and central sulci were significantly dilated, reflecting atrophy of the visual cortex and postcentral cortex, respectively. The lesions located in the calcarine area, cerebellum, and postcentral gyri were related to three characteristic manifestations of this disease, constriction of the visual fields, ataxia, and sensory disturbance, respectively. MR imaging has proved to be useful in evaluating the CNS abnormalities of methylmercury poisoning. (author)

  2. Quantitative Analysis of Airway Walls Using CT Software

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Tae Jung; Goo, Jin Mo; Lee, Kyung Won; Lee, Hyun Ju; Kim, Kwang Gi; Im, Jung Gi [Seoul National University, Seoul (Korea, Republic of)


    The purpose of this study was to develop dedicated software for quantitative analysis of the airways and to validate the software using airway phantoms and excised swine lung. The dedicated software was validated in airway phantoms and excised swine lung through comparison of the actual values with the measurements acquired with dedicated software. The accuracy of the measurements according to the reconstruction methods (standard, lung, sharp) and spatial resolution were compared using airway phantoms. Repeatability of the measurement of airway phantoms was assessed with follow-up CT scans three months later. Airway dimension measurements obtained in airway phantoms and excised swine lung showed good agreements with actual values. Airway measurements were more accurate when the sharp reconstruction algorithm was used and when the spatial resolution was improved using pixels smaller than conventional size. There was good agreement between the initial airway measurements and those obtained three months later. We developed and validated dedicated software for quantitative airway measurement. Reconstruction with sharp algorithms and high spatial resolution images is recommended for obtaining airway measurements.

  3. Analysis of correlation and causes for discrepancy between quantitative and semi-quantitative Doppler scores in synovitis in rheumatoid arthritis

    DEFF Research Database (Denmark)

    Rezaei, Hamed; Af Klint, Erik; Hammer, Hilde Berner


    OBJECTIVES: The aim of this study was to evaluate the association between two semi-quantitative Doppler US scoring systems (SQS), and the quantitative scoring (QS) of Doppler pixel count. METHODS: Adult patients with RA and inadequate clinical response to anti-rheumatic therapy were examined...... correlations and multilevel models taking into account the clustering of ratings at the rater, patient and joint levels. RESULTS: Analysis of the 1190 ratings revealed a strong correlation (ρ = 0.89, P

  4. Effect of chemical and organic fertilizers on quantitative and qualitative characteristics of fenugreek (Trigonella foenum-graecum L. forage

    Directory of Open Access Journals (Sweden)

    A.A. Mohammad Abadi


    Full Text Available In order to study the effect of different organic fertilizers on quantitative and qualitative characteristics of fenugreek forage, an experiment was conducted based on completely randomized block design with six treatments and three replications at Agricultural Research Station, College of Agriculture, Ferdowsi University of Mashhad, Iran, during 2006. The experimental treatments were four organic fertilizers (40 t.ha-1 cow manure, 30 t.ha-1 sheep manure, 20 t.ha-1 hen manure, and 30 t.ha-1 compost, chemical fertilizer (250 kg.ha-1 ammonium phosphate + 100 kg.ha-1 urea and control (no-fertilizer.The results showed that there were no significant differences between different fertilizer treatments in terms of all quantitative and qualitative characteristics. However, the highest fresh forage yield (5618 kg.ha-1 and dry forage yield were obtained in using chemical fertilizer treatment. The highest leaf dry matter and organic matter digestibility and the lowest stem dry matter and organic matter digestibilities were produced in hen manure treatment. Chemical fertilizer treatment produced the lowest leaf dry matter and organic matter digestibility and the highest stem dry matter and organic matter digestibility. Generally, within studied fertilizers, chemical fertilizer had relatively higher effect on quantitative studied criteria.

  5. Quantitative analysis and classification of AFM images of human hair. (United States)

    Gurden, S P; Monteiro, V F; Longo, E; Ferreira, M M C


    The surface topography of human hair, as defined by the outer layer of cellular sheets, termed cuticles, largely determines the cosmetic properties of the hair. The condition of the cuticles is of great cosmetic importance, but also has the potential to aid diagnosis in the medical and forensic sciences. Atomic force microscopy (AFM) has been demonstrated to offer unique advantages for analysis of the hair surface, mainly due to the high image resolution and the ease of sample preparation. This article presents an algorithm for the automatic analysis of AFM images of human hair. The cuticular structure is characterized using a series of descriptors, such as step height, tilt angle and cuticle density, allowing quantitative analysis and comparison of different images. The usefulness of this approach is demonstrated by a classification study. Thirty-eight AFM images were measured, consisting of hair samples from (a) untreated and bleached hair samples, and (b) the root and distal ends of the hair fibre. The multivariate classification technique partial least squares discriminant analysis is used to test the ability of the algorithm to characterize the images according to the properties of the hair samples. Most of the images (86%) were found to be classified correctly.

  6. Quantitative analysis of the reconstruction performance of interpolants (United States)

    Lansing, Donald L.; Park, Stephen K.


    The analysis presented provides a quantitative measure of the reconstruction or interpolation performance of linear, shift-invariant interpolants. The performance criterion is the mean square error of the difference between the sampled and reconstructed functions. The analysis is applicable to reconstruction algorithms used in image processing and to many types of splines used in numerical analysis and computer graphics. When formulated in the frequency domain, the mean square error clearly separates the contribution of the interpolation method from the contribution of the sampled data. The equations provide a rational basis for selecting an optimal interpolant; that is, one which minimizes the mean square error. The analysis has been applied to a selection of frequently used data splines and reconstruction algorithms: parametric cubic and quintic Hermite splines, exponential and nu splines (including the special case of the cubic spline), parametric cubic convolution, Keys' fourth-order cubic, and a cubic with a discontinuous first derivative. The emphasis in this paper is on the image-dependent case in which no a priori knowledge of the frequency spectrum of the sampled function is assumed.

  7. Quantitative structure activity relationship model for predicting the depletion percentage of skin allergic chemical substances of glutathione

    International Nuclear Information System (INIS)

    Si Hongzong; Wang Tao; Zhang Kejun; Duan Yunbo; Yuan Shuping; Fu Aiping; Hu Zhide


    A quantitative model was developed to predict the depletion percentage of glutathione (DPG) compounds by gene expression programming (GEP). Each kind of compound was represented by several calculated structural descriptors involving constitutional, topological, geometrical, electrostatic and quantum-chemical features of compounds. The GEP method produced a nonlinear and five-descriptor quantitative model with a mean error and a correlation coefficient of 10.52 and 0.94 for the training set, 22.80 and 0.85 for the test set, respectively. It is shown that the GEP predicted results are in good agreement with experimental ones, better than those of the heuristic method

  8. Quantitative structure-activity relationship (QSAR) analysis to predict drug-drug interactions of ABC transporter ABCG2. (United States)

    Ishikawa, T; Hirano, H; Saito, H; Sano, K; Ikegami, Y; Yamaotsu, N; Hirono, S


    Quantitative structure-activity relationship (QSAR) analysis is a practical approach by which chemical structure is quantitatively correlated with biological activity or chemical reactivity. Human ABC transporter ABCG2 exhibits broad substrate specificity toward structurally diverse compounds. To gain insight into the relationship between the molecular structures of compounds and the interaction with ABCG2, we have developed an algorithm that analyzes QSAR to evaluate ABCG2-drug interactions. In addition, to support QSAR analysis, we developed a high-speed screening method for analyzing the drug-drug interactions of ABCG2. Based on both experimental results and computational QSAR analysis data, we propose a hypothetical mechanism underlying ABC-mediated drug transport and its interaction with drugs.

  9. Quantitative analysis of lead in polysulfide-based impression material

    Directory of Open Access Journals (Sweden)

    Aparecida Silva Braga


    Full Text Available Permlastic® is a polysulfide-based impression material widely used by dentists in Brazil. It is composed of a base paste and a catalyzer containing lead dioxide. The high toxicity of lead to humans is ground for much concern, since it can attack various systems and organs. The present study involved a quantitative analysis of the concentration of lead in the material Permlastic®. The lead was determined by plasma-induced optical emission spectrometry (Varian model Vista. The percentages of lead found in the two analyzed lots were 38.1 and 40.8%. The lead concentrations in the material under study were high, but the product’s packaging contained no information about these concentrations.

  10. Quantitative analysis of spatial variability of geotechnical parameters (United States)

    Fang, Xing


    Geotechnical parameters are the basic parameters of geotechnical engineering design, while the geotechnical parameters have strong regional characteristics. At the same time, the spatial variability of geotechnical parameters has been recognized. It is gradually introduced into the reliability analysis of geotechnical engineering. Based on the statistical theory of geostatistical spatial information, the spatial variability of geotechnical parameters is quantitatively analyzed. At the same time, the evaluation of geotechnical parameters and the correlation coefficient between geotechnical parameters are calculated. A residential district of Tianjin Survey Institute was selected as the research object. There are 68 boreholes in this area and 9 layers of mechanical stratification. The parameters are water content, natural gravity, void ratio, liquid limit, plasticity index, liquidity index, compressibility coefficient, compressive modulus, internal friction angle, cohesion and SP index. According to the principle of statistical correlation, the correlation coefficient of geotechnical parameters is calculated. According to the correlation coefficient, the law of geotechnical parameters is obtained.

  11. Sexual Scripts in Contemporary Mexican Cinema: A Quantitative Content Analysis. (United States)

    Kollath-Cattano, Christy L; Mann, Emily S; Zegbe, Estephania Moreno; Thrasher, James F


    While the literature on sexual scripts is substantive, with some scholarship examining the role of popular media in the production of dominant and divergent sexual practices and interactions, limited attention has been paid to the contemporary Mexican context. In this article, we share findings from a quantitative content analysis of popular Mexican films in order to explore how sexual behavior is portrayed and more specifically how relationship characteristics, condom use, and substance use interact with representations of sexual behavior. We find that more sexually explicit portrayals featured people engaged in heterosexual sexual interactions outside the context of marriage and also in age discordant relationships, where one partner was a minor. Few films featured safer sex practices or substance use in concert with sexual behavior. This research sheds light on how film as a powerful agent of socialization communicates sexual scripts in contemporary Mexican culture that may contribute to risky sexual behaviors among Mexican youth.

  12. Comprehensive wellbore stability analysis utilizing Quantitative Risk Assessment

    Energy Technology Data Exchange (ETDEWEB)

    Moos, Daniel; Peska, Pavel; Finkbeiner, Thomas [GeoMechanics International, Palo Alto, CA 94303 (United States); Zoback, Mark [Stanford University, Stanford, CA 94305 (United States)


    A comprehensive geomechanical approach to wellbore stability requires knowledge of rock strength, pore pressure and the magnitude and orientation of the three principal stresses. These parameters are often uncertain, making confidence in deterministic predictions of the risks associated with instabilities during drilling and production difficult to assess. This paper demonstrates the use of Quantitative Risk Assessment (QRA) to formally account for the uncertainty in each input parameter to assess the probability of achieving a desired degree of wellbore stability at a given mud weight. We also utilize QRA to assess how the uncertainty in each parameter affects the mud weight calculated to maintain stability. In one case study, we illustrate how this approach allows us to compute optimal mud weight windows and casing set points at a deep-water site. In another case study, we demonstrate how to assess the feasibility of underbalanced drilling and open-hole completion of horizontal wells utilizing a comprehensive stability analysis that includes application of QRA.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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. [Quantitative Analysis of Power Doppler Images in Lateral Humeral Enthesopathy]. (United States)

    Walder, P; Paša, L; Pavliska, L


    PURPOSE OF THE STUDY The evaluation of efficiency of power Doppler sonography in the diagnosis of lateral humeral enthesopathy, role of correct assessment of Doppler sonographic images with the method of quantitative analysis, assessment of statistical differences between a group of patients with lateral humeral enthesopathy and a control group of healthy subjects and assessment of the diagnostic power of this test. In addition, consideration of the relevance of each area of the lateral compartment for assessment and diagnosis making in lateral humeral enthesopathy. MATERIAL AND METHODS A total of 41 subjects, aged 18 to 60 years, entered the study. Thirteen patients were diagnosed with lateral humeral enthesopathy on the basis of clinical tests and a positive reaction of the lateral humeral epicondylus to administration of local anaesthetic. The control group consisted of 28 subjects without clinical signs of lateral humeral enthesopathy and subjective complaints. Power Doppler activity was evaluated in the whole region studied and in sub-regions involving the enthesis of the common extensor tendon and the periosteum of the lateral epicondyle with the area distal to it. The evaluation was based on calculating the overall surface with power Doppler activity using the method of quantitative image analysis. Each patient was measured on three occasions and the median of values obtained was used in calculation. To assess the diagnostic power of this test, all values obtained from the whole power Doppler region measured were used. The optimal dividing criterion at which the method had a maximum of sensitivity and specificity was determined. RESULTS The most evident, statistically significant difference between the patient and the control group was recorded in the whole "Range of Interest" (ROI) region (p=1.34x10-6). A significant difference was also found in sub-regions corresponding chiefly to the tendon of the extensor carpi radialis brevis muscle and to the

  15. Quantitative image analysis of WE43-T6 cracking behavior

    International Nuclear Information System (INIS)

    Ahmad, A; Yahya, Z


    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.

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

    NARCIS (Netherlands)

    Zvinavashe, E.


    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

  17. Quantitative TEM analysis of a hexagonal mesoporous silicate structure. (United States)

    Hudson, S; Tanner, D A; Redington, W; Magner, E; Hodnett, K; Nakahara, S


    TEM analysis of mesoporous materials is generally undertaken to give qualitative results. Accurate quantitative analysis is demonstrated in this study. A systematic image analysis of a powder form of a hexagonal mesoporous material known as KIT-6 is conducted using a transmission electron microscope (TEM). Three types of image contrast typically appear in this material (a hexagonal honeycomb structure, wide and narrow parallel lines). The honeycomb face is used to characterise this material in terms of a conventional 2-D hexagonal structure and the d-spacings for the (100) and (110) planes are experimentally measured in varying focus conditions. A tilting experiment is conducted to determine how the angle of tilt affects the line spacing and their visibility. Tilting has very little effect on the line spacing, whereas it affects the visibility of both the wide and narrow lines by limiting an angle range of visibility. The hexagonal lattice structure parameter determined by TEM method is found to be approximately 7% lower than that calculated by low-angle X-ray diffraction. Thus we conclude that TEM data can be used to determine the geometry and dimensions of hexagonal mesoporous silica materials, with a small error in the hexagonal lattice parameter.

  18. Application of neural networks to quantitative spectrometry analysis

    International Nuclear Information System (INIS)

    Pilato, V.; Tola, F.; Martinez, J.M.; Huver, M.


    Accurate quantitative analysis of complex spectra (fission and activation products), relies upon experts' knowledge. In some cases several hours, even days of tedious calculations are needed. This is because current software is unable to solve deconvolution problems when several rays overlap. We have shown that such analysis can be correctly handled by a neural network, and the procedure can be automated with minimum laboratory measurements for networks training, as long as all the elements of the analysed solution figure in the training set and provided that adequate scaling of input data is performed. Once the network has been trained, analysis is carried out in a few seconds. On submitting to a test between several well-known laboratories, where unknown quantities of 57 Co, 58 Co, 85 Sr, 88 Y, 131 I, 139 Ce, 141 Ce present in a sample had to be determined, the results yielded by our network classed it amongst the best. The method is described, including experimental device and measures, training set designing, relevant input parameters definition, input data scaling and networks training. Main results are presented together with a statistical model allowing networks error prediction

  19. [Quantitative analysis of drug expenditures variability in dermatology units]. (United States)

    Moreno-Ramírez, David; Ferrándiz, Lara; Ramírez-Soto, Gabriel; Muñoyerro, M Dolores


    Variability in adjusted drug expenditures among clinical departments raises the possibility of difficult access to certain therapies at the time that avoidable expenditures may also exist. Nevertheless, drug expenditures are not usually applied to clinical practice variability analysis. To identify and quantify variability in drug expenditures in comparable dermatology department of the Servicio Andaluz de Salud. Comparative economic analysis regarding the drug expenditures adjusted to population and health care production in 18 dermatology departments of the Servicio Andaluz de Salud. The 2012 cost and production data (homogeneous production units -HPU-)were provided by Inforcoan, the cost accounting information system of the Servicio Andaluz de Salud. The observed drug expenditure ratio ranged from 0.97?/inh to 8.90?/inh and from 208.45?/HPU to 1,471.95?/ HPU. The Pearson correlation between drug expenditure and population was 0.25 and 0.35 for the correlation between expenditure and homogeneous production (p=0.32 and p=0,15, respectively), both Pearson coefficients confirming the lack of correlation and arelevant degree of variability in drug expenditures. The quantitative analysis of variability performed through Pearson correlation has confirmed the existence of drug expenditure variability among comparable dermatology departments. Copyright © 2013 SEFH. Published by AULA MEDICA. All rights reserved.

  20. An approach for quantitative image quality analysis for CT (United States)

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


    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.

  1. Review of Department of Defense Education Activity (DODEA) Schools. Volume II: Quantitative Analysis of Educational Quality

    National Research Council Canada - National Science Library

    Anderson, Lowell


    This volume compiles, and presents in integrated form, IDA's quantitative analysis of educational quality provided by DoD's dependent schools, It covers the quantitative aspects of volume I in greater...

  2. 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.

  3. Quantitative DNA methylation analysis of candidate genes in cervical cancer. (United States)

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


    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.

  4. Quantitative Analysis Of Acoustic Emission From Rock Fracture Experiments (United States)

    Goodfellow, Sebastian David

    This thesis aims to advance the methods of quantitative acoustic emission (AE) analysis by calibrating sensors, characterizing sources, and applying the results to solve engi- neering problems. In the first part of this thesis, we built a calibration apparatus and successfully calibrated two commercial AE sensors. The ErgoTech sensor was found to have broadband velocity sensitivity and the Panametrics V103 was sensitive to surface normal displacement. These calibration results were applied to two AE data sets from rock fracture experiments in order to characterize the sources of AE events. The first data set was from an in situ rock fracture experiment conducted at the Underground Research Laboratory (URL). The Mine-By experiment was a large scale excavation response test where both AE (10 kHz - 1 MHz) and microseismicity (MS) (1 Hz - 10 kHz) were monitored. Using the calibration information, magnitude, stress drop, dimension and energy were successfully estimated for 21 AE events recorded in the tensile region of the tunnel wall. Magnitudes were in the range -7.5 stress drops were within the range commonly observed for induced seismicity in the field (0.1 - 10 MPa). The second data set was AE collected during a true-triaxial deformation experiment, where the objectives were to characterize laboratory AE sources and identify issues related to moving the analysis from ideal in situ conditions to more complex laboratory conditions in terms of the ability to conduct quantitative AE analysis. We found AE magnitudes in the range -7.8 stress release was within the expected range of 0.1 - 10 MPa. We identified four major challenges to quantitative analysis in the laboratory, which in- hibited our ability to study parameter scaling (M0 ∝ fc -3 scaling). These challenges were 0c (1) limited knowledge of attenuation which we proved was continuously evolving, (2) the use of a narrow frequency band for acquisition, (3) the inability to identify P and S waves given the small

  5. 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.

  6. Quantitative Machine Learning Analysis of Brain MRI Morphology throughout Aging. (United States)

    Shamir, Lior; Long, Joe


    While cognition is clearly affected by aging, it is unclear whether the process of brain aging is driven solely by accumulation of environmental damage, or involves biological pathways. We applied quantitative image analysis to profile the alteration of brain tissues during aging. A dataset of 463 brain MRI images taken from a cohort of 416 subjects was analyzed using a large set of low-level numerical image content descriptors computed from the entire brain MRI images. The correlation between the numerical image content descriptors and the age was computed, and the alterations of the brain tissues during aging were quantified and profiled using machine learning. The comprehensive set of global image content descriptors provides high Pearson correlation of ~0.9822 with the chronological age, indicating that the machine learning analysis of global features is sensitive to the age of the subjects. Profiling of the predicted age shows several periods of mild changes, separated by shorter periods of more rapid alterations. The periods with the most rapid changes were around the age of 55, and around the age of 65. The results show that the process of brain aging of is not linear, and exhibit short periods of rapid aging separated by periods of milder change. These results are in agreement with patterns observed in cognitive decline, mental health status, and general human aging, suggesting that brain aging might not be driven solely by accumulation of environmental damage. Code and data used in the experiments are publicly available.

  7. A computational tool for quantitative analysis of vascular networks.

    Directory of Open Access Journals (Sweden)

    Enrique Zudaire

    Full Text Available Angiogenesis is the generation of mature vascular networks from pre-existing vessels. Angiogenesis is crucial during the organism' development, for wound healing and for the female reproductive cycle. Several murine experimental systems are well suited for studying developmental and pathological angiogenesis. They include the embryonic hindbrain, the post-natal retina and allantois explants. In these systems vascular networks are visualised by appropriate staining procedures followed by microscopical analysis. Nevertheless, quantitative assessment of angiogenesis is hampered by the lack of readily available, standardized metrics and software analysis tools. Non-automated protocols are being used widely and they are, in general, time--and labour intensive, prone to human error and do not permit computation of complex spatial metrics. We have developed a light-weight, user friendly software, AngioTool, which allows for quick, hands-off and reproducible quantification of vascular networks in microscopic images. AngioTool computes several morphological and spatial parameters including the area covered by a vascular network, the number of vessels, vessel length, vascular density and lacunarity. In addition, AngioTool calculates the so-called "branching index" (branch points/unit area, providing a measurement of the sprouting activity of a specimen of interest. We have validated AngioTool using images of embryonic murine hindbrains, post-natal retinas and allantois explants. AngioTool is open source and can be downloaded free of charge.

  8. Automatic quantitative analysis of liver functions by a computer system

    International Nuclear Information System (INIS)

    Shinpo, Takako


    In the previous paper, we confirmed the clinical usefulness of hepatic clearance (hepatic blood flow), which is the hepatic uptake and blood disappearance rate coefficients. These were obtained by the initial slope index of each minute during a period of five frames of a hepatogram by injecting sup(99m)Tc-Sn-colloid 37 MBq. To analyze the information simply, rapidly and accurately, we developed a automatic quantitative analysis for liver functions. Information was obtained every quarter minute during a period of 60 frames of the sequential image. The sequential counts were measured for the heart, whole liver, both left lobe and right lobes using a computer connected to a scintillation camera. We measured the effective hepatic blood flow, from the disappearance rate multiplied by the percentage of hepatic uptake as follows, (liver counts)/(tatal counts of the field) Our method of analysis automatically recorded the reappearance graph of the disappearance curve and uptake curve on the basis of the heart and the whole liver, respectively; and computed using BASIC language. This method makes it possible to obtain the image of the initial uptake of sup(99m)Tc-Sn-colloid into the liver by a small dose of it. (author)

  9. Quantitative analysis of normal thallium-201 tomographic studies

    International Nuclear Information System (INIS)

    Eisner, R.L.; Gober, A.; Cerqueira, M.


    To determine the normal (nl) distribution of Tl-201 uptake post exercise (EX) and at redistribution (RD) and nl washout, Tl-201 rotational tomographic (tomo) studies were performed in 40 subjects: 16 angiographic (angio) nls and 24 nl volunteers (12 from Emory and 12 from Yale). Oblique angle short axis slices were subjected to maximal count circumferential profile analysis. Data were displayed as a ''bullseye'' functional map with the apex at the center and base at the periphery. The bullseye was not uniform in all regions because of the variable effects of attenuation and resolution at different view angles. In all studies, the septum: lateral wall ratio was 1.0 in males and approximately equal to 1.0 in females. This occurred predominantly because of anterior defects due to breast soft tissue attenuation. EX and RD bullseyes were similar. Using a bi-exponential model for Tl kinetics, 4 hour normalized washout ranged 49-54% in each group and showed minimal variation between walls throughout the bullseye. Thus, there are well defined variations in Tl-201 uptake in the nl myocardium which must be taken into consideration when analyzing pt data. Because of these defects and the lack of adequate methods for attenuation correction, quantitative analysis of Tl-201 studies must include direct comparison with gender-matched nl data sets

  10. Highly Multiplexed Quantitative Mass Spectrometry Analysis of Ubiquitylomes. (United States)

    Rose, Christopher M; Isasa, Marta; Ordureau, Alban; Prado, Miguel A; Beausoleil, Sean A; Jedrychowski, Mark P; Finley, Daniel J; Harper, J Wade; Gygi, Steven P


    System-wide quantitative analysis of ubiquitylomes has proven to be a valuable tool for elucidating targets and mechanisms of the ubiquitin-driven signaling systems, as well as gaining insights into neurodegenerative diseases and cancer. Current mass spectrometry methods for ubiquitylome detection require large amounts of starting material and rely on stochastic data collection to increase replicate analyses. We describe a method compatible with cell line and tissue samples for large-scale quantification of 5,000-9,000 ubiquitylation forms across ten samples simultaneously. Using this method, we reveal site-specific ubiquitylation in mammalian brain and liver tissues, as well as in cancer cells undergoing proteasome inhibition. To demonstrate the power of the approach for signal-dependent ubiquitylation, we examined protein and ubiquitylation dynamics for mitochondria undergoing PARKIN- and PINK1-dependent mitophagy. This analysis revealed the largest collection of PARKIN- and PINK1-dependent ubiquitylation targets to date in a single experiment, and it also revealed a subset of proteins recruited to the mitochondria during mitophagy. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. 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.


    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.

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

    Directory of Open Access Journals (Sweden)

    Daniel Loof


    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.

  13. Applying Qualitative Hazard Analysis to Support Quantitative Safety Analysis for Proposed Reduced Wake Separation Conops (United States)

    Shortle, John F.; Allocco, Michael


    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.

  14. Watershed Planning within a Quantitative Scenario Analysis Framework. (United States)

    Merriam, Eric R; Petty, J Todd; Strager, Michael P


    There is a critical need for tools and methodologies capable of managing aquatic systems within heavily impacted watersheds. Current efforts often fall short as a result of an inability to quantify and predict complex cumulative effects of current and future land use scenarios at relevant spatial scales. The goal of this manuscript is to provide methods for conducting a targeted watershed assessment that enables resource managers to produce landscape-based cumulative effects models for use within a scenario analysis management framework. Sites are first selected for inclusion within the watershed assessment by identifying sites that fall along independent gradients and combinations of known stressors. Field and laboratory techniques are then used to obtain data on the physical, chemical, and biological effects of multiple land use activities. Multiple linear regression analysis is then used to produce landscape-based cumulative effects models for predicting aquatic conditions. Lastly, methods for incorporating cumulative effects models within a scenario analysis framework for guiding management and regulatory decisions (e.g., permitting and mitigation) within actively developing watersheds are discussed and demonstrated for 2 sub-watersheds within the mountaintop mining region of central Appalachia. The watershed assessment and management approach provided herein enables resource managers to facilitate economic and development activity while protecting aquatic resources and producing opportunity for net ecological benefits through targeted remediation.

  15. Qualitative and quantitative analysis of atmospheric organosulfates in Centreville, Alabama (United States)

    Hettiyadura, Anusha P. S.; Jayarathne, Thilina; Baumann, Karsten; Goldstein, Allen H.; de Gouw, Joost A.; Koss, Abigail; Keutsch, Frank N.; Skog, Kate; Stone, Elizabeth A.


    Organosulfates are components of secondary organic aerosols (SOA) that form from oxidation of volatile organic compounds (VOCs) in the presence of sulfate. In this study, the composition and abundance of organosulfates were determined in fine particulate matter (PM2.5) collected from Centreville, AL, during the Southern Oxidant and Aerosol Study (SOAS) in summer 2013. Six organosulfates were quantified using hydrophilic interaction liquid chromatography (HILIC) with triple quadrupole mass spectrometry (TQD) against authentic standards. Among these, the three most abundant species were glycolic acid sulfate (0.5-52.5 ng m-3), lactic acid sulfate (0.5-36.7 ng m-3), and hydroxyacetone sulfate (0.5-14.3 ng m-3). These three species were strongly inter-correlated, suggesting similar precursors and/or formation pathways. Further correlations with sulfate, isoprene, and isoprene oxidation products indicate important roles for these precursors in organosulfate formation in Centreville. Positive filter sampling artifacts associated with these organosulfates due to gas adsorption or reaction of gas phase precursors of organosulfates with sulfuric acid were assessed for a subset of samples and were less than 7.8 % of their PM2.5 concentrations. Together, the quantified organosulfates accounted for quantitative analysis was employed by way of monitoring characteristic product ions of organosulfates (HSO4- at m/z 97 and SO4- ṡ at m/z 96) and evaluating relative signal strength by HILIC-TQD. Molecular formulas of organosulfates were determined by high-resolution time-of-flight (TOF) mass spectrometry. The major organosulfate signal across all samples corresponded to 2-methyltetrol sulfates, which accounted for 42-62 % of the total bisulfate ion signal. Conversely, glycolic acid sulfate, the most abundant organosulfate quantified in this study, was 0.13-0.57 % of the total bisulfate ion signal. Precursors of m/z 96 mainly consisted of nitro-oxy organosulfates. Organosulfates

  16. Quantitative Ultrasound and bone's response to exercise: a meta analysis. (United States)

    Babatunde, O O; Forsyth, J J


    The utility of Quantitative Ultrasound (QUS) for assessing and monitoring changes in bone health due to exercise is limited for lack of adequate research evidence. Restrictions to bone density testing and the enduring debate over repeat dual energy absorptiometry testing spells uncertainty over clinical and non-clinical evaluation of exercise for prevention of osteoporosis. This study, via systematic review and meta-analysis, aimed to paint a portrait of current evidence regarding QUS' application to monitoring bone's adaptive response to exercise interventions. Structured and comprehensive search of databases was undertaken along with hand-searching of key journals and reference lists to locate relevant studies published up to December 2011. Twelve articles met predetermined inclusion criteria. The effect of exercise interventions for improving bone health, as measured by QUS of the calcaneum, was examined across the age spectrum. Study outcomes for analysis: absolute (dB/MHz) or relative change (%) in broadband ultrasound attenuation (BUA) and/or os calcis stiffness index were compared by calculating standardised mean difference (SMD) using fixed- and random-effects models. Quality of included trials varied from low to high on a scale of one to three. Four to 36months of exercise led to a significant improvement in calcaneum BUA (0.98 SMD, 95% CI 0.80, 1.16, overall effect Z-value=10.72, p=0.001) across the age spectrum. The meta-analysis attests to the sensitivity of QUS to exercise-induced changes in bone health across the age groups. QUS may be considered for use in exercise-based bone health interventions for preventing osteoporosis. Copyright © 2012 Elsevier Inc. All rights reserved.

  17. Collocations and collocation types in ESP textbooks: Quantitative pedagogical analysis

    Directory of Open Access Journals (Sweden)

    Bogdanović Vesna Ž.


    Full Text Available The term collocation, even though it is rather common in the English language grammar, it is not a well known or commonly used term in the textbooks and scientific papers written in the Serbian language. Collocating is usually defined as a natural appearance of two (or more words, which are usually one next to another even though they can be separated in the text, while collocations are defined as words with natural semantic and/or syntactic relations being joined together in a sentence. Collocations are naturally used in all English written texts, including scientific texts and papers. Using two textbooks for English for Specific Purposes (ESP for intermediate students' courses, this paper presents the frequency of collocations and their typology. The paper tries to investigate the relationship between lexical and grammatical collocations written in the ESP texts and the reasons for their presence. There is an overview of the most used subtypes of lexical collocations as well. Furthermore, on applying the basic corpus analysis based on the quantitative analysis, the paper presents the number of open, restricted and bound collocations in ESP texts, trying to draw conclusions on their frequency and hence the modes for their learning. There is also a section related to the number and usage of scientific collocations, both common scientific and narrow-professional ones. The conclusion is that the number of present collocations in the selected two textbooks imposes a demand for further analysis of these lexical connections, as well as new modes for their teaching and presentations to the English learning students.

  18. Nanotechnology patents in the automotive industry (a quantitative & qualitative analysis). (United States)

    Prasad, Raghavendra; Bandyopadhyay, Tapas K


    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.

  19. The Measles Vaccination Narrative in Twitter: A Quantitative Analysis. (United States)

    Radzikowski, Jacek; Stefanidis, Anthony; Jacobsen, Kathryn H; Croitoru, Arie; Crooks, Andrew; Delamater, Paul L


    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. 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 the data, as well as presenting a quantitative interdisciplinary approach to analyze such open-source data in the context of health narratives. We collected 669,136 tweets referring to vaccination from February 1 to March 9, 2015. These tweets were analyzed to identify key terms, connections among such terms, retweet patterns, the structure of the narrative, and connections to the geographical space. The data analysis captures the anatomy of the themes and relations that make up the discussion about vaccination in Twitter. The results highlight the higher impact of stories contributed by news organizations compared to direct tweets by health organizations in communicating health-related information. They also capture the structure of the antivaccination narrative and its terms of reference. Analysis also revealed the relationship between community engagement in Twitter and state policies regarding child vaccination. Residents of Vermont and Oregon, the two states with the highest rates of non-medical exemption from school-entry vaccines nationwide, are leading the social media discussion in terms of participation. The interdisciplinary study of health-related debates in social media across the cyber-physical debate nexus leads to a greater understanding of public concerns, views, and responses to health-related issues. Further coalescing such capabilities shows promise towards advancing health communication, thus supporting the design of more effective strategies that take into account the complex

  20. Quantitative trait locus (QTL) analysis of percentage grains ...

    African Journals Online (AJOL)



    Mar 28, 2011 ... Chalkiness is a major concern in rice (Oryza sativa L.) breeding because it is one of the key factors in determining quality and price, which is a complicated quantitative trait and controlled by maternal, endosperm and cytoplasmic effects. In this study, we conducted grain chalkiness percentage quantitative ...

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

    Directory of Open Access Journals (Sweden)

    Xu Tianlei


    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

  2. Photographers’ Nomenclature Units: A Structural and Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Margarita A. Mihailova


    Full Text Available Addressing the needs of cross and intercultural communication as well as the methodology of contrastive research, the paper presents the results of the complex analysis conducted to describe semantic and pragmatic parameters of nomenclature units denoting photography equipment in the modern Russian informal discourse of professional photographers. The research is exemplified by 34 original nomenclature units and their 34 Russian equivalents used in 6871 comments posted at “Клуб” web-site in 2015. The structural and quantitative analyses of photographers’ nomenclature demonstrate the users’ morphological and graphic preferences and indirectly reflect their social and professional values. The corpus-based approach developed by Kast-Aigner (2009: 141 was applied in the study with the aim to identify the nomenclature units denoting photography equipment, validate and elaborate the data of the existing corpus. The research also throws light on the problems of professional language development and derivational processes. The perspective of the study lies in the research of the broader context of professional nomenclature.

  3. Quantitative risk analysis of the pipeline GASDUC III - solutions

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Edmilson P.; Bettoni, Izabel Cristina [PETROBRAS, Rio de Janeiro, RJ (Brazil)


    In this work the quantitative risks analysis to the external public of the Pipeline Cabiunas - REDUC (GASDUC III), with 180 km, linking the municipalities of Macae and Duque de Caxias - RJ was performed by the Companies PETROBRAS and ITSEMAP do Brasil. In addition to the large diameter of the pipeline 38 inches and high operation pressure 100 kgf/cm{sup 2} operating with natural gas through several densely populated areas. Initially, the individual risk contours were calculated without considering mitigating measures, obtaining as result the individual risk contour with frequencies of 1x10{sup -06} per year involving sensitive occupations and therefore considered unacceptable when compared with the INEA criterion. The societal risk was calculated for eight densely populated areas and their respective FN-curves situated below the advised limit established by INEA, except for two areas that required the proposal of additional mitigating measures to the reduction of societal risk. Regarding to societal risk, the FN-curve should be below the advised limit presented in the Technical Instruction of INEA. The individual and societal risk were reassessed incorporating some mitigating measures and the results situated below the advised limits established by INEA and PETROBRAS has obtained the license for installation of the pipeline. (author)

  4. Field nonuniformity correction for quantitative analysis of digitized mammograms

    International Nuclear Information System (INIS)

    Pawluczyk, Olga; Yaffe, Martin J.


    Several factors, including the heel effect, variation in distance from the x-ray source to points in the image and path obliquity contribute to the signal nonuniformity of mammograms. To best use digitized mammograms for quantitative image analysis, these field non-uniformities must be corrected. An empirically based correction method, which uses a bowl-shaped calibration phantom, has been developed. Due to the annular spherical shape of the phantom, its attenuation is constant over the entire image. Remaining nonuniformities are due only to the heel and inverse square effects as well as the variable path through the beam filter, compression plate and image receptor. In logarithmic space, a normalized image of the phantom can be added to mammograms to correct for these effects. Then, an analytical correction for path obliquity in the breast can be applied to the images. It was found that the correction causes the errors associated with field nonuniformity to be reduced from 14% to 2% for a 4 cm block of material corresponding to a combination of 50% fibroglandular and 50% fatty breast tissue. A repeatability study has been conducted to show that in regions as far as 20 cm away from the chest wall, variations due to imaging conditions and phantom alignment contribute to <2% of overall corrected signal

  5. Quantitative analysis of time-resolved microwave conductivity data (United States)

    Reid, Obadiah G.; Moore, David T.; Li, Zhen; Zhao, Dewei; Yan, Yanfa; Zhu, Kai; Rumbles, Garry


    Flash-photolysis time-resolved microwave conductivity (fp-TRMC) is a versatile, highly sensitive technique for studying the complex photoconductivity of solution, solid, and gas-phase samples. The purpose of this paper is to provide a standard reference work for experimentalists interested in using microwave conductivity methods to study functional electronic materials, describing how to conduct and calibrate these experiments in order to obtain quantitative results. The main focus of the paper is on calculating the calibration factor, K, which is used to connect the measured change in microwave power absorption to the conductance of the sample. We describe the standard analytical formulae that have been used in the past, and compare them to numerical simulations. This comparison shows that the most widely used analytical analysis of fp-TRMC data systematically under-estimates the transient conductivity by ~60%. We suggest a more accurate semi-empirical way of calibrating these experiments. However, we emphasize that the full numerical calculation is necessary to quantify both transient and steady-state conductance for arbitrary sample properties and geometry.

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

    Directory of Open Access Journals (Sweden)

    Erik L. Carlton


    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.

  7. Hyperspectral imaging and quantitative analysis for prostate cancer detection (United States)

    Akbari, Hamed; Halig, Luma V.; Schuster, David M.; Osunkoya, Adeboye; Master, Viraj; Nieh, Peter T.; Chen, Georgia Z.


    Abstract. Hyperspectral imaging (HSI) is an emerging modality for various medical applications. Its spectroscopic data might be able to be used to noninvasively detect cancer. Quantitative analysis is often necessary in order to differentiate healthy from diseased tissue. We propose the use of an advanced image processing and classification method in order to analyze hyperspectral image data for prostate cancer detection. The spectral signatures were extracted and evaluated in both cancerous and normal tissue. Least squares support vector machines were developed and evaluated for classifying hyperspectral data in order to enhance the detection of cancer tissue. This method was used to detect prostate cancer in tumor-bearing mice and on pathology slides. Spatially resolved images were created to highlight the differences of the reflectance properties of cancer versus those of normal tissue. Preliminary results with 11 mice showed that the sensitivity and specificity of the hyperspectral image classification method are 92.8% to 2.0% and 96.9% to 1.3%, respectively. Therefore, this imaging method may be able to help physicians to dissect malignant regions with a safe margin and to evaluate the tumor bed after resection. This pilot study may lead to advances in the optical diagnosis of prostate cancer using HSI technology. PMID:22894488

  8. A Quantitative Analysis of Photovoltaic Modules Using Halved Cells

    Directory of Open Access Journals (Sweden)

    S. Guo


    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.

  9. Quantitative analysis of histopathological findings using image processing software. (United States)

    Horai, Yasushi; Kakimoto, Tetsuhiro; Takemoto, Kana; Tanaka, Masaharu


    In evaluating pathological changes in drug efficacy and toxicity studies, morphometric analysis can be quite robust. In this experiment, we examined whether morphometric changes of major pathological findings in various tissue specimens stained with hematoxylin and eosin could be recognized and quantified using image processing software. Using Tissue Studio, hypertrophy of hepatocytes and adrenocortical cells could be quantified based on the method of a previous report, but the regions of red pulp, white pulp, and marginal zones in the spleen could not be recognized when using one setting condition. Using Image-Pro Plus, lipid-derived vacuoles in the liver and mucin-derived vacuoles in the intestinal mucosa could be quantified using two criteria (area and/or roundness). Vacuoles derived from phospholipid could not be quantified when small lipid deposition coexisted in the liver and adrenal cortex. Mononuclear inflammatory cell infiltration in the liver could be quantified to some extent, except for specimens with many clustered infiltrating cells. Adipocyte size and the mean linear intercept could be quantified easily and efficiently using morphological processing and the macro tool equipped in Image-Pro Plus. These methodologies are expected to form a base system that can recognize morphometric features and analyze quantitatively pathological findings through the use of information technology.

  10. Quantitative analysis of dynamic association in live biological fluorescent samples.

    Directory of Open Access Journals (Sweden)

    Pekka Ruusuvuori

    Full Text Available Determining vesicle localization and association in live microscopy may be challenging due to non-simultaneous imaging of rapidly moving objects with two excitation channels. Besides errors due to movement of objects, imaging may also introduce shifting between the image channels, and traditional colocalization methods cannot handle such situations. Our approach to quantifying the association between tagged proteins is to use an object-based method where the exact match of object locations is not assumed. Point-pattern matching provides a measure of correspondence between two point-sets under various changes between the sets. Thus, it can be used for robust quantitative analysis of vesicle association between image channels. Results for a large set of synthetic images shows that the novel association method based on point-pattern matching demonstrates robust capability to detect association of closely located vesicles in live cell-microscopy where traditional colocalization methods fail to produce results. In addition, the method outperforms compared Iterated Closest Points registration method. Results for fixed and live experimental data shows the association method to perform comparably to traditional methods in colocalization studies for fixed cells and to perform favorably in association studies for live cells.

  11. Social media in epilepsy: A quantitative and qualitative analysis. (United States)

    Meng, Ying; Elkaim, Lior; Wang, Justin; Liu, Jessica; Alotaibi, Naif M; Ibrahim, George M; Fallah, Aria; Weil, Alexander G; Valiante, Taufik A; Lozano, Andres M; Rutka, James T


    While the social burden of epilepsy has been extensively studied, an evaluation of social media related to epilepsy may provide novel insight into disease perception, patient needs and access to treatments. The objective of this study is to assess patterns in social media and online communication usage related to epilepsy and its associated topics. We searched two major social media platforms (Facebook and Twitter) for public accounts dedicated to epilepsy. Results were analyzed using qualitative and quantitative methodologies. The former involved thematic and word count analysis for online posts and tweets on these platforms, while the latter employed descriptive statistics and non-parametric tests. Facebook had a higher number of pages (840 accounts) and users (3 million) compared to Twitter (137 accounts and 274,663 users). Foundation and support groups comprised most of the accounts and users on both Facebook and Twitter. The number of accounts increased by 100% from 2012 to 2016. Among the 403 posts and tweets analyzed, "providing information" on medications or correcting common misconceptions in epilepsy was the most common theme (48%). Surgical interventions for epilepsy were only mentioned in 1% of all posts and tweets. The current study provides a comprehensive reference on the usage of social media in epilepsy. The number of online users interested in epilepsy is likely the highest among all neurological conditions. Surgery, as a method of treating refractory epilepsy, however, could be underrepresented on social media. Copyright © 2017 Elsevier Inc. All rights reserved.

  12. Automated quantitative analysis of coordinated locomotor behaviour in rats. (United States)

    Tanger, H J; Vanwersch, R A; Wolthuis, O L


    Disturbances of motor coordination are usually difficult to quantify. Therefore, a method was developed for the automated quantitative analysis of the movements of the dyed paws of stepping rats, registered by a colour TV camera. The signals from the TV-video system were converted by an electronic interface into voltages proportional to the X- and Y-coordinates of the paws, from which a desktop computer calculated the movements of these paws in time and distance. Application 1 analysed the steps of a rat walking in a hollow rotating wheel. The results showed low variability of the walking pattern, the method was insensitive to low doses of alcohol, but was suitable to quantify overt, e.g. neurotoxic, locomotor disturbances or recovery thereof. In application 2 hurdles were placed in a similar hollow wheel and the rats were trained to step from the top of one hurdle to another. Physostigmine-induced disturbances of this acquired complex motor task could be detected at doses far below those that cause overt symptoms.

  13. Quantitative immunoelectrophoretic analysis of extract from cow hair and dander

    International Nuclear Information System (INIS)

    Prahl, P.; Weeke, B.; Loewenstein, H.


    Quantitative immunoelectrophoresis used for the analysis of a dialysed, centrifuged and freeze-dried extract from cow hair and dander revealed 17 antigens. Five of these were identified as serum proteins. Partial identity to antigens of serum and extract from hair and dander of goat, sheep, swine, horse, dog, cat, and guinea pig, and to antigens of house dust was demonstrated. Sera from 36 patients with manifest allergy to cow hair and dander selected on the basis of case history, RAST, skin and provocation test, were examined in crossed radioimmunoelectrophoresis (CRIE); sera from five persons with high serum IgE, but without allergy to cow hair and dander, and sera from five normal individuals were controls. 31/36 of the sera contained IgE with specific affinity for two of the antigens of the extract. Further, two major and six minor allergens were identified. The control sera showed no specific IgE binding. A significant positive correlation was found between RAST and CRIE for the first group of patients. The approximate molecular weights of the four major allergens obtained by means of gel chromatography were: 2.4 x 10 4 , 2 x 10 4 , 2 x 10 5 dalton, respectively. Using Con-A and Con-A Sepharose in crossed immunoaffinoelectrophoresis, eight of the antigens were revealed to contain groups with affinity for Con-A. (author)

  14. B1 -sensitivity analysis of quantitative magnetization transfer imaging. (United States)

    Boudreau, Mathieu; Stikov, Nikola; Pike, G Bruce


    To evaluate the sensitivity of quantitative magnetization transfer (qMT) fitted parameters to B 1 inaccuracies, focusing on the difference between two categories of T 1 mapping techniques: B 1 -independent and B 1 -dependent. The B 1 -sensitivity of qMT was investigated and compared using two T 1 measurement methods: inversion recovery (IR) (B 1 -independent) and variable flip angle (VFA), B 1 -dependent). The study was separated into four stages: 1) numerical simulations, 2) sensitivity analysis of the Z-spectra, 3) healthy subjects at 3T, and 4) comparison using three different B 1 imaging techniques. For typical B 1 variations in the brain at 3T (±30%), the simulations resulted in errors of the pool-size ratio (F) ranging from -3% to 7% for VFA, and -40% to > 100% for IR, agreeing with the Z-spectra sensitivity analysis. In healthy subjects, pooled whole-brain Pearson correlation coefficients for F (comparing measured double angle and nominal flip angle B 1 maps) were ρ = 0.97/0.81 for VFA/IR. This work describes the B 1 -sensitivity characteristics of qMT, demonstrating that it varies substantially on the B 1 -dependency of the T 1 mapping method. Particularly, the pool-size ratio is more robust against B 1 inaccuracies if VFA T 1 mapping is used, so much so that B 1 mapping could be omitted without substantially biasing F. Magn Reson Med 79:276-285, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

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

    Directory of Open Access Journals (Sweden)

    Dommisse Roger


    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

  16. Qualitative and quantitative analysis of endophyte alkaloids in perennial ryegrass using near-infrared spectroscopy. (United States)

    Soto-Barajas, Milton C; Zabalgogeazcoa, Iñigo; González-Martin, Inmaculada; Vázquez-de-Aldana, Beatriz R


    Near-infrared reflectance spectroscopy (NIRS) has been widely used in forage quality control because it is faster, cleaner and less expensive than conventional chemical procedures. In Lolium perenne (perennial ryegrass), one of the most important forage grasses, the infection by asymptomatic Epichloë fungal endophytes alters the plant nutritional quality due to the production of alkaloids. In this research, we developed a rapid method based on NIRS to detect and quantify endophyte alkaloids (peramine, lolitrem B and ergovaline) using a heterogeneous set of L. perenne plants obtained from wild grasslands and cultivars. NIR spectra from dried grass samples were recorded and classified according to the absence or presence of alkaloids, based on reference methods. The best discriminant equations for detection of alkaloids classified correctly 94.4%, 87.5% and 92.9% of plants containing peramine, lolitrem B and ergovaline, respectively. The quantitative NIR equations obtained by modified partial least squares (MPLS) algorithm had coefficients of correlation of 0.93, 0.41, and 0.76 for peramine, lolitrem B and ergovaline respectively. NIRS is a suitable tool for qualitative analysis of endophyte alkaloids in grasses and for the accurate quantification of peramine and ergovaline. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  17. Digital Holographic Microscopy: Quantitative Phase Imaging and Applications in Live Cell Analysis (United States)

    Kemper, Björn; Langehanenberg, Patrik; Kosmeier, Sebastian; Schlichthaber, Frank; Remmersmann, Christian; von Bally, Gert; Rommel, Christina; Dierker, Christian; Schnekenburger, Jürgen

    The analysis of complex processes in living cells creates a high demand for fast and label-free methods for online monitoring. Widely used fluorescence methods require specific labeling and are often restricted to chemically fixated samples. Thus, methods that offer label-free and minimally invasive detection of live cell processes and cell state alterations are of particular interest. In combination with light microscopy, digital holography provides label-free, multi-focus quantitative phase imaging of living cells. In overview, several methods for digital holographic microscopy (DHM) are presented. First, different experimental setups for the recording of digital holograms and the modular integration of DHM into common microscopes are described. Then the numerical processing of digitally captured holograms is explained. This includes the description of spatial and temporal phase shifting techniques, spatial filtering based reconstruction, holographic autofocusing, and the evaluation of self-interference holograms. Furthermore, the usage of partial coherent light and multi-wavelength approaches is discussed. Finally, potentials of digital holographic microscopy for quantitative cell imaging are illustrated by results from selected applications. It is shown that DHM can be used for automated tracking of migrating cells and cell thickness monitoring as well as for refractive index determination of cells and particles. Moreover, the use of DHM for label-free analysis in fluidics and micro-injection monitoring is demonstrated. The results show that DHM is a highly relevant method that allows novel insights in dynamic cell biology, with applications in cancer research and for drugs and toxicity testing.

  18. chemical analysis and base- promoted hydrolysis of locally ...

    African Journals Online (AJOL)


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

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

    African Journals Online (AJOL)

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

  20. Chemical Engineering Data Analysis Made Easy with DataFit (United States)

    Brenner, James R.


    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…

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

    Directory of Open Access Journals (Sweden)

    Ali Karimi


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

  2. Quantitative analysis of LISA pathfinder test-mass noise

    International Nuclear Information System (INIS)

    Ferraioli, Luigi; Congedo, Giuseppe; Hueller, Mauro; Vitale, Stefano; Hewitson, Martin; Nofrarias, Miquel; Armano, Michele


    LISA Pathfinder (LPF) is a mission aiming to test the critical technology for the forthcoming space-based gravitational-wave detectors. The main scientific objective of the LPF mission is to demonstrate test masses free falling with residual accelerations below 3x10 -14 m s -2 /√(Hz) at 1 mHz. Reaching such an ambitious target will require a significant amount of system optimization and characterization, which will in turn require accurate and quantitative noise analysis procedures. In this paper, we discuss two main problems associated with the analysis of the data from LPF: i) excess noise detection and ii) noise parameter identification. The mission is focused on the low-frequency region ([0.1, 10] mHz) of the available signal spectrum. In such a region, the signal is dominated by the force noise acting on test masses. At the same time, the mission duration is limited to 90 days and typical data segments will be 24 hours in length. Considering those constraints, noise analysis is expected to deal with a limited amount of non-Gaussian data, since the spectrum statistics will be far from Gaussian and the lowest available frequency is limited by the data length. In this paper, we analyze the details of the expected statistics for spectral data and develop two suitable excess noise estimators. One is based on the statistical properties of the integrated spectrum, the other is based on the Kolmogorov-Smirnov test. The sensitivity of the estimators is discussed theoretically for independent data, then the algorithms are tested on LPF synthetic data. The test on realistic LPF data allows the effect of spectral data correlations on the efficiency of the different noise excess estimators to be highlighted. It also reveals the versatility of the Kolmogorov-Smirnov approach, which can be adapted to provide reasonable results on correlated data from a modified version of the standard equations for the inversion of the test statistic. Closely related to excess noise

  3. Detection and quantitation analysis of cocaine and metabolites in fixed liver tissue and formalin solutions. (United States)

    Cingolani, Mariano; Cippitelli, Marcello; Froldi, Rino; Gambaro, Veniero; Tassoni, Giovanna


    This study reports the results of the detection and quantitation of cocaine and its metabolites in liver tissues fixed in formalin and in the formalin solutions in which the same tissues were fixed. Toxicological analyses were performed on formalin-fixed liver samples from four cases of death of cocaine abusers and on formalin solutions (10% buffered, pH 7) in which the samples were preserved. Analyses carried out at the time of autopsy on body fluids and tissues allowed identification of cocaine and the metabolite benzoylecgonine. Liver tissue samples were preserved in formalin solutions for four weeks before analysis. Results only showed the presence of benzoylecgonine in the studied materials. The mean levels of recovery of benzoylecgonine in fixed tissues were 12.31% in liver and 84.47% in formalin from liver. Results indicated that benzoylecgonine has good stability, even in biological specimens subjected to chemical fixation.

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

    International Nuclear Information System (INIS)

    Lassinantti Gualtieri, Magdalena; Romagnoli, Marcello; Miselli, Paola; Cannio, Maria; Gualtieri, Alessandro F.


    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.%.

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

    Energy Technology Data Exchange (ETDEWEB)

    Lassinantti Gualtieri, Magdalena, E-mail: [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)


    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.%.

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

    Directory of Open Access Journals (Sweden)

    Zlatičanin Biljana V.


    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.

  7. Systematic Comparison of Label-Free, Metabolic Labeling, and Isobaric Chemical Labeling for Quantitative Proteomics on LTQ Orbitrap Velos

    Energy Technology Data Exchange (ETDEWEB)

    Li, Zhou [ORNL; Adams, Rachel M [ORNL; Chourey, Karuna [ORNL; Hurst, Gregory {Greg} B [ORNL; Hettich, Robert {Bob} L [ORNL; Pan, Chongle [ORNL


    A variety of quantitative proteomics methods have been developed, including label-free, metabolic labeling, and isobaric chemical labeling using iTRAQ or TMT. Here, these methods were compared in terms of the depth of proteome coverage, quantification accuracy, precision, and reproducibility using a high-performance hybrid mass spectrometer, LTQ Orbitrap Velos. Our results show that (1) the spectral counting method provides the deepest proteome coverage for identification, but its quantification performance is worse than labeling-based approaches, especially the quantification reproducibility; (2) metabolic labeling and isobaric chemical labeling are capable of accurate, precise, and reproducible quantification and provide deep proteome coverage for quantification. Isobaric chemical labeling surpasses metabolic labeling in terms of quantification precision and reproducibility; (3) iTRAQ and TMT perform similarly in all aspects compared in the current study using a CID-HCD dual scan configuration. Based on the unique advantages of each method, we provide guidance for selection of the appropriate method for a quantitative proteomics study.

  8. Qualitative and Quantitative Analysis for US Army Recruiting Input Allocation

    National Research Council Canada - National Science Library

    Brence, John


    .... An objective study of the quantitative and qualitative aspects of recruiting is necessary to meet the future needs of the Army, in light of strong possibilities of recruiting resource reduction...

  9. Quantitative analysis of psychological personality for NPP operators

    International Nuclear Information System (INIS)

    Gao Jia; Huang Xiangrui


    The author introduces the relevant personality quantitative psychological research work carried out by 'Prognoz' Laboratory and Taiwan, and presents the primary results of the research for Chinese Nuclear Power Plant (NPP) operator's psychological personality assessment, which based on the survey of MMPI, and presents the main contents for the personality quantitative psychological research in NPP of China. And emphasizes the need to carry out psychological selection and training in nuclear industry

  10. A qualitative and quantitative analysis of vegetable pricing in supermarket (United States)

    Miranda, Suci


    The purpose of this study is to analyze the variables affecting the determination of the sale price of vegetable which is constant over time in a supermarket qualitatively and quantitavely. It focuses on the non-organic vegetable with a fixed selling price over time such as spinach, beet, and parsley. In qualitative analysis, the sale price determination is influenced by the vegetable characteristics: (1) vegetable segmentation (low to high daily consumed); (2) vegetable age (how long it can last related to freshness); which both characteristic relates to the inventory management and ultimately to the sale price in supermarket. While quantitatively, the vegetables are divided into two categories: the leaf vegetable group that the leaves are eaten as a vegetable with the aging product (a) = 0 and the shelf life (t) = 0, and the non-leafy vegetable group with the aging group (a) = a+1 and the shelf life (t) = t+1. The vegetable age (a) = 0 means they only last for one day when they are ordered then they have to terminate. Whereas a+1 is that they have a longer life for more than a day such as beet, white radish, and string beans. The shelf life refers to how long it will be placed in a shelf in supermarket in line with the vegetable age. According to the cost plus pricing method using full price costing approach, production costs, non-production costs, and markup are adjusted differently for each category. There is a holding cost added to the sale price of the non-leafy vegetable, yet it is assumed a 0 holding cost for the leafy vegetable category. The amount of expected margin of each category is correlated to the vegetable characteristics.

  11. Hydrocarbons on Phoebe, Iapetus, and Hyperion: Quantitative Analysis (United States)

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


    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.

  12. Quantitative Analysis of the Effective Functional Structure in Yeast Glycolysis (United States)

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


    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

  13. Vibrational spectroscopy and chemometrics for rapid, quantitative analysis of bitter acids in hops (Humulus lupulus). (United States)

    Killeen, Daniel P; Andersen, David H; Beatson, Ron A; Gordon, Keith C; Perry, Nigel B


    Hops, Humulus lupulus, are grown worldwide for use in the brewing industry to impart characteristic flavor and aroma to finished beer. Breeders produce many varietal crosses with the aim of improving and diversifying commercial hops varieties. The large number of crosses critical to a successful breeding program imposes high demands on the supporting chemical analytical laboratories. With the aim of reducing the analysis time associated with hops breeding, quantitative partial least-squares regression (PLS-R) models have been produced, relating reference data acquired by the industrial standard HPLC and UV methods, to vibrational spectra of the same, chemically diverse hops sample set. These models, produced from rapidly acquired infrared (IR), near-infrared (NIR), and Raman spectra, were appraised using standard statistical metrics. Results demonstrated that all three spectroscopic methods could be used for screening hops for α-acid, total bitter acids, and cohumulone concentrations in powdered hops. Models generated from Raman and IR spectra also showed potential for use in screening hops varieties for xanthohumol concentrations. NIR analysis was performed using both a standard benchtop spectrometer and a portable NIR spectrometer, with comparable results obtained by both instruments. Finally, some important vibrational features of cohumulone, colupulone, and xanthohumol were assigned using DFT calculations, which allow more insightful interpretation of PLS-R latent variable plots.

  14. Quantitative Analysis of 3D Reconstruction Parameters of Multi-Materialsin Soft Clay

    Directory of Open Access Journals (Sweden)

    Zhiqing Liu


    Full Text Available The results of the three-dimensional reconstruction of soil were derived from the X-ray absorption coefficient of the material itself. However, the absorption coefficient is not a fixed value, and is related to densities, chemical molecular weight, and the weight percentages of chemical components. How to accurately obtain the density of one component is a vital issue in multi-materials. In this study, the influence of the physical parameters of each component in the data-constrained modeling (DCM of the microstructure of soft clay was investigated. The results showed that density changes were more prominent. A reasonable multi-component density was calculated, and the density of organic matter had a significant effect on the volume percentage of three-dimensional soft clay. In the clay mineral montmorillonite, the density significantly affected the volume percentage data, which directly limited the accuracy of the material distribution analysis. Based on this, other physical parameters of each component in the data constraint model could be further explored. Based on the density value of the simple material, a reasonable multi-materials density was calculated, which provides a quantitative method for the evolution analysis of soil structure.

  15. Quantitative mutagenesis by chemicals and by radiations: prerequisites for the establishment of rad-equivalences

    International Nuclear Information System (INIS)

    Latarjet, R.


    The lesions produced in the genetic material by chemical mutagens, on the one hand, and radiations, on the other, are very similar. In both cases, they are either lesions in DNA or changes in the bonds between this DNA and the proteins which surround it. The lesions are sufficiently similar to elicit, in both cases, the activity of the same repair systems. The similarity between chemical and radiation induced mutagenesis can be demonstrated by checking that a strain which is hyper-sensitive to radiation because it lacks some repair system, is also hyper-sensitive to most chemical mutagens. These similarities between the lesions suggest that one can establish an equivalence between the 'dose' of a chemical and a dose of radiation, on the basis of the effects produced on some biological systems of reference. Once such equivalence has been established, one could extrapolate the rules of radiation protection to protection against that chemical. Is this principle applicable, and under which conditions. What prerequisites must be fulfilled. The goal of this paper is to answer these questions

  16. Quantitative PCR analysis of salivary pathogen burden in periodontitis. (United States)

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


    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

  17. Quantitative PCR analysis of salivary pathogen burden in periodontitis (United States)

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


    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

  18. Quantitative PCR analysis of salivary pathogen burden in periodontitis

    Directory of Open Access Journals (Sweden)

    Aino eSalminen


    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

  19. Chemical and thermal analysis for characterisation of building materials

    International Nuclear Information System (INIS)

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


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

  20. Chemical Diversity, Origin, and Analysis of Phycotoxins

    DEFF Research Database (Denmark)

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


    , 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...

  1. Application of Quantitative Phosphorous Nuclear Magnetic Resonance Spectroscopy to Chemical Warfare Agents (United States)


    liquid chromatograph LOD limits of detection LOQ limits of quantitation M molarity (moles per litre) mg milligrams MHz megahertz (106 Hz) mL...relative to other common laboratory techniques such as gas and liquid chromatography. Despite lower relative sensitivity and high cost of purchase and...peak in the NMR spectrum. Ideal reference standards are non- volatile, non- hygroscopic and have a limited number of peaks in an NMR spectrum

  2. Quantitative detection of chemical compounds in human hair with coherent anti-Stokes Raman scattering microscopy


    Zimmerley, Maxwell; Lin, Chia-Yu; Oertel, David C.; Marsh, Jennifer M.; Ward, Jimmie L.; Potma, Eric Olaf


    Coherent anti-Stokes Raman scattering (CARS) microscopy is used to determine the distribution and concentration of selected compounds in intact human hair. By generating images based on ratiometric CARS contrast, quantitative concentration maps of both water and externally applied d-glycine are produced in the cortex of human hair fibers. Both water and d-glycine are found to homogeneously distribute throughout the cortical regions of the hair. The ability to selectively detect molecular agen...

  3. Semiquantitative and quantitative measurements for EDXRF in elemental chemical composition of pigments

    International Nuclear Information System (INIS)

    Costa, Elizabeth Cristina Soares da


    X-Ray fluorescence technique is largely used in the characterization of art and archaeological objects for restoration and conservation, allowing a multi-elemental, simultaneous and non destructive analysis. In this work it was used a portable XRF equipment of XRF that consists of a 238 Pu source ( 13,6 and 17,2 keV; 95 mCi) and a SI-PIN detector coupled to a 8 k multichannel analyser. The results were collected by a palmtop computer and later analysed in a PC, through the program AXIL-QXAS. The acquisition time for each measurement was 500 s. The measurements were accomplished in a wood sculpture (Santa Luzia image, number 164) from the collection of the Museu de Etnologia da Universidade de Sao Paulo (MAE-USP), in the following regions: (STL1) inferior side of the wood base exposed without finishing, (STL2) frontal inferior base of the pedestal (dark blue) (STL3), inferior part of the frontal dress (gold), (STL4) medium part of the dress (clear blue) (STL5) mantle (red), (STL6) back central lock of the hair in the backs (black), (STL7) right cheek (flesh-coloured) and (STL8) mantle (gold). The elements found in the STL1 region were: Al, Ca, Fe and a high concentration of Zn. In the region STL2 were found Al, C, Fe, Zn and the key element Cu. In the region STL3 - Ca, Zn and the key element Au. In the region STL4 it was found Zn and the key element Cu. In the region STL5 the key element S and Hg. In the region STL6 were found Fe, Ca, S and Hg. In the region STL 7 were found Al, Cu, Hg and Zn. In the region STL8 were found Ca, Al and Au, with high concentration. It was concluded that the possible pigments would be: STL2 and STL4 - CuCO 3 . Cu(OH) 2 + ZnO; STL3 and STL8 - Au; STL5 - HgS, STL6 - HgS mixed with other oxides, possibly of Fe and Mn, and STL 7 - HgS + ZnO. Standard samples of wood painted with pigments of the colors white, blue, red, rose, flesh color and green were also made. Through the XRF method it was verified that the white pigment is TiO 2 , the

  4. Quantitative structure-activity relationships for predicting potential ecological hazard of organic chemicals for use in regulatory risk assessments. (United States)

    Comber, Mike H I; Walker, John D; Watts, Chris; Hermens, Joop


    The use of quantitative structure-activity relationships (QSARs) for deriving the predicted no-effect concentration of discrete organic chemicals for the purposes of conducting a regulatory risk assessment in Europe and the United States is described. In the United States, under the Toxic Substances Control Act (TSCA), the TSCA Interagency Testing Committee and the U.S. Environmental Protection Agency (U.S. EPA) use SARs to estimate the hazards of existing and new chemicals. Within the Existing Substances Regulation in Europe, QSARs may be used for data evaluation, test strategy indications, and the identification and filling of data gaps. To illustrate where and when QSARs may be useful and when their use is more problematic, an example, methyl tertiary-butyl ether (MTBE), is given and the predicted and experimental data are compared. Improvements needed for new QSARs and tools for developing and using QSARs are discussed.

  5. Quantitative mineralogical analysis of small samples of china clay using x ray diffractometry.


    Salt, P D


    The quantitative mineralogical analysis of small samples (less than 20 mg) of china clay has been investigated using x ray diffractometry to determine kaolinite, mica, quartz, and feldspar. A method has been developed and applied to the quantitative analysis of airborne dust samples and of other small discrete samples. Determinations were made either on samples after collection on a membrane filter or on samples after deposition from aqueous suspension on to a silver substrate. Quantitative a...

  6. Comparison of qualitative and quantitative evaluation of diffusion-weighted MRI and chemical-shift imaging in the differentiation of benign and malignant vertebral body fractures. (United States)

    Geith, Tobias; Schmidt, Gerwin; Biffar, Andreas; Dietrich, Olaf; Dürr, Hans Roland; Reiser, Maximilian; Baur-Melnyk, Andrea


    The objective of our study was to compare the diagnostic value of qualitative diffusion-weighted imaging (DWI), quantitative DWI, and chemical-shift imaging in a single prospective cohort of patients with acute osteoporotic and malignant vertebral fractures. The study group was composed of patients with 26 osteoporotic vertebral fractures (18 women, eight men; mean age, 69 years; age range, 31 years 6 months to 86 years 2 months) and 20 malignant vertebral fractures (nine women, 11 men; mean age, 63.4 years; age range, 24 years 8 months to 86 years 4 months). T1-weighted, STIR, and T2-weighted sequences were acquired at 1.5 T. A DW reverse fast imaging with steady-state free precession (PSIF) sequence at different delta values was evaluated qualitatively. A DW echo-planar imaging (EPI) sequence and a DW single-shot turbo spin-echo (TSE) sequence at different b values were evaluated qualitatively and quantitatively using the apparent diffusion coefficient. Opposed-phase sequences were used to assess signal intensity qualitatively. The signal loss between in- and opposed-phase images was determined quantitatively. Two-tailed Fisher exact test, Mann-Whitney test, and receiver operating characteristic analysis were performed. Sensitivities, specificities, and accuracies were determined. Qualitative DW-PSIF imaging (delta = 3 ms) showed the best performance for distinguishing between benign and malignant fractures (sensitivity, 100%; specificity, 88.5%; accuracy, 93.5%). Qualitative DW-EPI (b = 50 s/mm(2) [p = 1.00]; b = 250 s/mm(2) [p = 0.50]) and DW single-shot TSE imaging (b = 100 s/mm(2) [p = 1.00]; b = 250 s/mm(2) [p = 0.18]; b = 400 s/mm(2) [p = 0.18]; b = 600 s/mm(2) [p = 0.39]) did not indicate significant differences between benign and malignant fractures. DW-EPI using a b value of 500 s/mm(2) (p = 0.01) indicated significant differences between benign and malignant vertebral fractures. Quantitative DW-EPI (p = 0.09) and qualitative opposed-phase imaging (p = 0

  7. Quantitative flux analysis reveals folate-dependent NADPH production (United States)

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


    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.

  8. Development of quantitative structure-activity relationship (QSAR) models to predict the carcinogenic potency of chemicals

    International Nuclear Information System (INIS)

    Venkatapathy, Raghuraman; Wang Chingyi; Bruce, Robert Mark; Moudgal, Chandrika


    Determining the carcinogenicity and carcinogenic potency of new chemicals is both a labor-intensive and time-consuming process. In order to expedite the screening process, there is a need to identify alternative toxicity measures that may be used as surrogates for carcinogenic potency. Alternative toxicity measures for carcinogenic potency currently being used in the literature include lethal dose (dose that kills 50% of a study population [LD 50 ]), lowest-observed-adverse-effect-level (LOAEL) and maximum tolerated dose (MTD). The purpose of this study was to investigate the correlation between tumor dose (TD 50 ) and three alternative toxicity measures as an estimator of carcinogenic potency. A second aim of this study was to develop a Classification and Regression Tree (CART) between TD 50 and estimated/experimental predictor variables to predict the carcinogenic potency of new chemicals. Rat TD 50 s of 590 structurally diverse chemicals were obtained from the Cancer Potency Database, and the three alternative toxicity measures considered in this study were estimated using TOPKAT, a toxicity estimation software. Though poor correlations were obtained between carcinogenic potency and the three alternative toxicity (both experimental and TOPKAT) measures for the CPDB chemicals, a CART developed using experimental data with no missing values as predictor variables provided reasonable estimates of TD 50 for nine chemicals that were part of an external validation set. However, if experimental values for the three alternative measures, mutagenicity and logP are not available in the literature, then either the CART developed using missing experimental values or estimated values may be used for making a prediction

  9. Comparative quantitative analysis of artemisinin by chromatography and qNMR. (United States)

    Liu, Ning Qing; Choi, Young Hae; Verpoorte, Robert; van der Kooy, Frank


    Since the discovery of artemisinin in the 1970s, many techniques based on diverse chromatography techniques have been developed to detect and quantify this important antiplasmodial compound. The accurate quantification of this compound in the Artemisia annua plant material is mainly needed for breeding purposes in order to cultivate higher yielding varieties. It is also important for the quality control of herbal preparations containing A. annua plant material. To evaluate the most common validated quantification techniques (LC-MS, HPLC-ELSD and TLC) and compare the results to quantitative nuclear magnetic resonance spectroscopy (qNMR) in eight different A. annua samples collected from around the world. The leaf material were extracted according to standard procedures and analysed with the validated quantification techniques. For the qNMR analysis we did not employ a standard curve but instead used an internal standard (maleid acid) which is not chemically related to artemisinin. We found a significant difference between the results in this study. Compared with the qNMR results the HPLC-ELSD corresponded closely, followed by LC-MS. Quantitation with TLC led to an estimation range of -0.5 to +3.2 mg artemisinin/g of A. annua. These results imply that qNMR, with the addition of an internal standard, can be used to quantify artemisinin in A. annua samples in a rapid and reproducible manner. Copyright © 2010 John Wiley & Sons, Ltd.

  10. Quantitative analysis of results for quality assurance in radiotherapy

    International Nuclear Information System (INIS)

    Passaro, Bruno Martins


    The linear accelerators represent the most important, practical and versatile source of ionizing radiation in radiotherapy. These functional characteristics influence the geometric and dosimetric accuracy of therapeutic doses applied to patients. The performance of this equipment may vary due to electronic defects, component failures or mechanical breakdowns, or may vary due to the deterioration and aging of components. Maintaining the quality of care depends on the stability of the accelerators and quality control of the institutions to monitor deviations in the parameters of the beam. The aim of this study is to assess and analyze the stability of the calibration factor of linear accelerators, as well as the other dosimetric parameters normally included in a program of quality control in radiotherapy. The average calibration factors of the accelerators for the period of approximately four years for the Clinac 600C and Clinac 6EX were (0,998 ± 0,012) and (0,996 ± 0,014), respectively. For the Clinac 2100CD 6 MV and 15 MV was (1,008 ± 0,009) and (1,006 ± 0,010), respectively, in a period of approximately four years. Statistical analysis of the three linear accelerators was found that the coefficient of variation of calibration factors had values below 2% which shows a consistency in the data. By calculating the normal distribution of calibration factors, we found that for the Clinac 600C and Clinac 2100CD, is an expected probability that more than 90% of cases the values are within acceptable limits according to the TG-142, while for the Clinac 6EX is expected around 85% since this had several exchanges of accelerator components. The values of TPR 20,10 of three accelerators are practically constant and within acceptable limits according to the TG-142. It can be concluded that a detailed study of data from the calibration factor of the accelerators and TPR20,10 from a quantitative point of view, is extremely useful in a quality assurance program. (author)

  11. Quantifying chemical reactions by using mixing analysis. (United States)

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


    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. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Recognizing chemicals in patents: a comparative analysis. (United States)

    Habibi, Maryam; Wiegandt, David Luis; Schmedding, Florian; Leser, Ulf


    Recently, methods for Chemical Named Entity Recognition (NER) have gained substantial interest, driven by the need for automatically analyzing todays ever growing collections of biomedical text. Chemical NER for patents is particularly essential due to the high economic importance of pharmaceutical findings. However, NER on patents has essentially been neglected by the research community for long, mostly because of the lack of enough annotated corpora. A recent international competition specifically targeted this task, but evaluated tools only on gold standard patent abstracts instead of full patents; furthermore, results from such competitions are often difficult to extrapolate to real-life settings due to the relatively high homogeneity of training and test data. Here, we evaluate the two state-of-the-art chemical NER tools, tmChem and ChemSpot, on four different annotated patent corpora, two of which consist of full texts. We study the overall performance of the tools, compare their results at the instance level, report on high-recall and high-precision ensembles, and perform cross-corpus and intra-corpus evaluations. Our findings indicate that full patents are considerably harder to analyze than patent abstracts and clearly confirm the common wisdom that using the same text genre (patent vs. scientific) and text type (abstract vs. full text) for training and testing is a pre-requisite for achieving high quality text mining results.

  13. Geographical classification of Epimedium based on HPLC fingerprint analysis combined with multi-ingredients quantitative analysis. (United States)

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


    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. Copyright © 2016 John Wiley & Sons, Ltd.

  14. Computer aided approach to qualitative and quantitative common cause failure analysis for complex systems

    International Nuclear Information System (INIS)

    Cate, C.L.; Wagner, D.P.; Fussell, J.B.


    Common cause failure analysis, also called common mode failure analysis, is an integral part of a complete system reliability analysis. Existing methods of computer aided common cause failure analysis are extended by allowing analysis of the complex systems often encountered in practice. The methods aid in identifying potential common cause failures and also address quantitative common cause failure analysis

  15. Quantitative mineralogical analysis of sandstones using x-ray diffraction techniques

    International Nuclear Information System (INIS)

    Ward, C.R.; Taylor, J.C.


    Full text: X-ray diffraction has long been used as a definitive technique for mineral identification based on the measuring the internal atomic or crystal structures present in powdered rocks; soils and other mineral mixtures. Recent developments in data gathering and processing, however, have provided an improved basis for its use as a quantitative tool, determining not only the nature of the minerals but also the relative proportions of the different minerals present. The mineralogy of a series of sandstone samples from the Sydney and Bowen Basins of eastern Australia has been evaluated by X-ray diffraction (XRD) on a quantitative basis using the Australian-developed SIROQUANT data processing technique. Based on Rietveld principles, this technique generates a synthetic X-ray diffractogram by adjusting and combining full-profile patterns of minerals nominated as being present in the sample and interactively matches the synthetic diffractogram under operator instructions to the observed diffractogram of the sample being analysed. The individual mineral patterns may be refined in the process, to allow for variations in crystal structure of individual components or for factors such as preferred orientation in the sample mount. The resulting output provides mass percentages of the different minerals in the mixture, and an estimate of the error associated with each individual percentage determination. The chemical composition of the mineral mixtures indicated by SIROQUANT for each individual sandstone studied was estimated using a spreadsheet routine, and the indicated proportion of each oxide in each sample compared to the actual chemical analysis of the same sandstone as determined independently by X-ray fluorescence spectrometry. The results show a high level of agreement for all major chemical constituents, indicating consistency between the SIROQUANT XRD data and the whole-rock chemical composition. Supplementary testing with a synthetic corundum spike further

  16. Quantitative analysis of prediction models for hot cracking in ...

    Indian Academy of Sciences (India)

    A RodrМguez-Prieto


    Nov 16, 2017 ... enhancing safety margins and adding greater precision to quantitative accident prediction [45]. One deterministic methodology is the stringency level (SL) approach, which is recognized as a valuable decision tool in the selection of standardized materials specifications to prevent potential failures [3].

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

    DEFF Research Database (Denmark)

    Hearns, G.; Blanke, M.


    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...

  18. Quantitative trait loci analysis of individual and total isoflavone ...

    Indian Academy of Sciences (India)

    Soybean isoflavones play diverse roles in human health, including cancers, osteoporosis, heart disease, menopausal symptoms and pabulums. The objective of this study was to identify the quantitative trait loci (QTL) associated with the isoflavones daidzein (DC), genistein (GeC), glycitein (GlC) and total isoflavone ...

  19. Quantitative analysis of soluble elements in environmental waters by PIXE

    International Nuclear Information System (INIS)

    Niizeki, T.; Kawasaki, K.; Adachi, M.; Tsuji, M.; Hattori, T.


    We have started PIXE research for environmental science at Van de Graaff accelerator facility in Tokyo Institute of Technology. Quantitative measurements of soluble fractions in river waters have been carried out using the preconcentrate method developed in Tohoku University. We reveal that this PIXE target preparation can be also applied to waste water samples. (author)

  20. Multiparent intercross populations in analysis of quantitative traits

    Indian Academy of Sciences (India)


    Apr 17, 2012 ... these techniques can examine epistasis and interactions of. QTL with genetic background, which underline quantitative traits. Second generation mapping resources. The second generation mapping resources propose to address many of the limitations associated with conventional map- ping populations.

  1. Teaching Quantitative Reasoning for Nonscience Majors through Carbon Footprint Analysis (United States)

    Boose, David L.


    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…

  2. Quantitative morphometrical analysis of a North African population ...

    Indian Academy of Sciences (India)


    Dec 23, 2008 ... Genetic variability of quantitative traits was investigated in a Moroccan population of Drosophila melanogaster, with an isofe- male line design. Results were compared with data previously obtained from French populations. Although the environmental and thermal conditions are very different in France and ...

  3. Quantitative morphometrical analysis of a North African population ...

    Indian Academy of Sciences (India)

    Genetic variability of quantitative traits was investigated in aMoroccan population of Drosophila melanogaster, with an isofemale line design. Results were compared with data previously obtained from French populations. Although the environmental and thermal conditions are very different in France and Morocco, only two ...

  4. Quantitative trait loci analysis of individual and total isoflavone ...

    Indian Academy of Sciences (India)


    Aug 19, 2014 ... Abstract. Soybean isoflavones play diverse roles in human health, including cancers, osteoporosis, heart disease, menopausal symptoms and pabulums. The objective of this study was to identify the quantitative trait loci (QTL) associated with the isoflavones daidzein (DC), genistein (GeC), glycitein (GlC) ...

  5. Analysis association of milk fat and protein percent in quantitative ...

    African Journals Online (AJOL)



    May 14, 2014 ... African Journal of Biotechnology. Full Length Research ... Protein and fat percent as content of milk are high-priority criteria for financial aims and selection of programs in dairy cattle ... Key words: Fat percent, Iranian Holstein cattle, microsatellites, milking days, protein percent, quantitative trait locus (QTL).

  6. Quantitative analysis of gai pattern in hemiparetic patients | Zverev ...

    African Journals Online (AJOL)

    Objective: To characterise gait pattern in hemiparetic patients quantitatively using clinical footprint method. Design: A case control study. Subjects: Sixteen hemiparetic patients (12 males and 4 females) aged 16 to 64 years who attended neurological clinic at Queen Elizabeth Central Hospital, Blantyre, Malawi.

  7. Quantitative Analysis by Isotopic Dilution Using Mass Spectroscopy: The Determination of Caffeine by GC-MS. (United States)

    Hill, Devon W.; And Others


    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)

  8. Spectroscopic and chemical reactivity analysis of D-Myo-Inositol ...

    Indian Academy of Sciences (India)


    Jun 20, 2017 ... ... Pramana – Journal of Physics; Volume 89; Issue 1. Spectroscopic and chemical reactivity analysis of D-Myo-Inositol using quantum chemical approach and its experimental verification. DEVENDRA P MISHRA ANCHAL SRIVASTAVA R K SHUKLA. Special Issue Volume 89 Issue 1 July 2017 Article ID 12 ...

  9. Availability Analysis of Chemicals for Water Treatment: An ...

    African Journals Online (AJOL)

    Availability Analysis of Chemicals for Water Treatment: An Application to Edo and Anambra State Water Utilities Boards. ... Nigerian Journal of Technology ... This paper considers the shipment of regular supplies of large quantities of chemicals used in treating water to potable standard in a developing country. A model to ...

  10. Microbiological and physico-chemical analysis of soymilk and ...

    African Journals Online (AJOL)

    Microbiological and physico-chemical analysis of soymilk and soyflour sold in Uyo metropolis, Nigeria. A. A. Brooks, N. U. Asamudo, F. C Udoukpo. Abstract. Ten samples each of unbranded soymilk and soyflour sold in Uyo metropolis were subjected to microbiological and physico-chemical studies. The microorganisms ...

  11. Technologies and microstructures for separation techniques in chemical analysis

    NARCIS (Netherlands)

    Spiering, Vincent L.; Spiering, V.L.; Lammerink, Theodorus S.J.; Jansen, Henricus V.; van den Berg, Albert; Fluitman, J.H.J.


    The possibilities for microtechnology in chemical analysis and separation techniques are discussed. The combination of the materials and the dimensions of structures can limit the sample and waste volumes on the one hand, but also increases the performance of the chemical systems. Especially in high

  12. Post-mission data analysis of Surveyor mission chemical data (United States)

    Turkevich, A.


    Prime data from chemical analysis experiments, of Surveyor 5, 6, and 7 are critically examined and analyzed. This and associated laboratory work has given final chemical composition results for the lunar regolith at three locations. The conclusions made on the basis of the preliminary examinations of the data are confirmed and extended.

  13. [Multiple dependent variables LS-SVM regression algorithm and its application in NIR spectral quantitative analysis]. (United States)

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


    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

  14. Chemical considerations in severe accident analysis

    International Nuclear Information System (INIS)

    Malinauskas, A.P.; Kress, T.S.


    The Reactor Safety Study presented the first systematic attempt to include fission product physicochemical effects in the determination of expected consequences of hypothetical nuclear reactor power plant accidents. At the time, however, the data base was sparse, and the treatment of fission product behavior was not entirely consistent or accurate. Considerable research has since been performed to identify and understand chemical phenomena that can occur in the course of a nuclear reactor accident, and how these phenomena affect fission product behavior. In this report, the current status of our understanding of the chemistry of fission products in severe core damage accidents is summarized and contrasted with that of the Reactor Safety Study

  15. Microchromatography of hemoglobins. VIII. A general qualitative and quantitative method in plastic drinking straws and the quantitative analysis of Hb-F. (United States)

    Schroeder, W A; Pace, L A


    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.

  16. [Optimization of experimental parameters for quantitative NMR (qNMR) and its application in quantitative analysis of traditional Chinese medicines]. (United States)

    Ma, Xiao-Li; Zou, Ping-Ping; Lei, Wei; Tu, Peng-Fei; Jiang, Yong


    Quantitative NMR (qNMR) is a technology based on the principle of NMR. This technology does not need the references of the determined components, which supplies a solution for the problem of reference scarcity in the quantitative analysis of traditional Chinese medicines. Moreover, this technology has the advantages of easy operation, non-destructiveness for the determined sample, high accuracy and repeatability, in comparison with HPLC, LC-MS and GC-MS. NMR technology has achieved quantum leap in sensitivity and accuracy with the development of NMR hardware. In addition, the choice of appropriate experimental parameters of the pre-treatment and measurement procedure as well as the post-acquisition processing is also important for obtaining high-quality and reproducible NMR spectra. This review summarizes the principle of qHNMR, the various experimental parameters affecting the accuracy and the precision of qHNMR, such as signal to noise ratio, relaxation delay, pulse width, acquisition time, window function, phase correction and baseline correction, and their corresponding optimized methods. Moreover, the application of qHNMR in the fields of quantitation of single or multi-components of traditional Chinese medicines, the purity detection of references, and the quality analysis of foods has been discussed. In addition, the existing questions and the future application prospects of qNMR in natural product areas are also presented.

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

    International Nuclear Information System (INIS)

    Han, Jun; Lin, Karen; Sequeira, Carita; Borchers, Christoph H.


    Highlights: • 3-Nitrophenylhydrazine was used to derivatize short-chain fatty acids (SCFAs) for LC-MS/MS. • 13 C 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 2 –C 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 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 13 C 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 clinically diagnosed type 2

  18. 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: [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)


    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

  19. Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. (United States)

    Mung, Dorothea; Li, Liang


    There is an increasing demand for donor human milk to feed infants for various reasons including that a mother may be unable to provide sufficient amounts of milk for their child or the milk is considered unsafe for the baby. Selling and buying human milk via the Internet has gained popularity. However, there is a risk of human milk sold containing other adulterants such as animal or plant milk. Analytical tools for rapid detection of adulterants in human milk are needed. We report a quantitative metabolomics method for detecting potential milk adulterants (soy, almond, cow, goat and infant formula milk) in human milk. It is based on the use of a high-performance chemical isotope labeling (CIL) LC-MS platform to profile the metabolome of an unknown milk sample, followed by multivariate or univariate comparison of the resultant metabolomic profile with that of human milk to determine the differences. Using dansylation LC-MS to profile the amine/phenol submetabolome, we could detect an average of 4129 ± 297 (n = 9) soy metabolites, 3080 ± 470 (n = 9) almond metabolites, 4256 ± 136 (n = 18) cow metabolites, 4318 ± 198 (n = 9) goat metabolites, 4444 ± 563 (n = 9) infant formula metabolites, and 4020 ± 375 (n = 30) human metabolites. This high level of coverage allowed us to readily differentiate the six different types of samples. From the analysis of binary mixtures of human milk containing 5, 10, 25, 50 and 75% other type of milk, we demonstrated that this method could be used to detect the presence of as low as 5% adulterant in human milk. We envisage that this method could be applied to detect contaminant or adulterant in other types of food or drinks. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Public Library System in Ankara: A Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Bülent Yılmaz


    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.

  1. Geometrical conditions at the quantitative neutronographic texture analysis

    International Nuclear Information System (INIS)

    Tobisch, J.; Kleinstueck, K.


    The beam geometry for measuring quantitative pole figures by a neutronographic texture diffractometer is explained for transmission and reflection arrangement of spherical samples and sheets. For given dimensions of counter aperture the maximum possible cross sections of the incident beam are calculated as a function of sample dimensions and the Bragg angle theta. Methods for the calculation of absorption factors and volume correction are given. Under special conditions advantages result in the transmission case for sample motion into the direction +α. (author)

  2. Fluorescent microscopy approaches of quantitative soil microbial analysis (United States)

    Ivanov, Konstantin; Polyanskaya, Lubov


    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

  3. Quantitative spectroscopic analysis of and distance to SN1999em (United States)

    Dessart, L.; Hillier, D. J.


    Multi-epoch multi-wavelength spectroscopic observations of photospheric-phase type II supernovae (SN) provide information on massive-star progenitor properties, the core-collapse mechanism, and distances in the Universe. Following successes of recent endeavors (Dessart & Hillier 2005a, A&A, 437, 667; 2005b, A&A, 439, 671) with the non-LTE model atmosphere code CMFGEN (Hillier & Miller 1998, ApJ, 496, 407), we present a detailed quantitative spectroscopic analysis of the type II SN1999em and, using the Expanding Photosphere Method (EPM) or synthetic fits to observed spectra, à la Baron et al. (2004, ApJ, 616, 91), we estimate its distance. Selecting eight epochs, which cover the first 38 days after discovery, we obtain satisfactory fits to optical spectroscopic observations of SN1999em (including the UV and near-IR ranges when available). We use the same iron-group metal content for the ejecta, the same power-law density distribution (with exponent n = 10{-}12), and a Hubble-velocity law at all times. We adopt a H/He/C/N/O abundance pattern compatible with CNO-cycle equilibrium values for a RSG/BSG progenitor, with C/O enhanced and N depleted at later times. The overall evolution of the spectral energy distribution, whose peak shifts to longer wavelengths as time progresses, reflects the steady temperature/ionization-level decrease of the ejecta, associated non-linearly with a dramatic shift to ions with stronger line-blocking powers in the UV and optical (Fe ii, Tiii). In the parameter space investigated, CMFGEN is very sensitive and provides photospheric temperatures and velocities, reddenings, and the H/He abundance ratio with an accuracy of ±500 K, ±10%, 0.05 and 50%, respectively. Following Leonard et al. (2002, PASP, 114, 35), and their use of correction factors from Hamuy et al. (2001, ApJ, 558, 615), we estimate an EPM distance to SN1999em that also falls 30% short of the Cepheid distance of 11.7 Mpc to its host galaxy NGC 1637 (Leonard et al. 2003, Ap

  4. Pulmonary nodule characterization, including computer analysis and quantitative features. (United States)

    Bartholmai, Brian J; Koo, Chi Wan; Johnson, Geoffrey B; White, Darin B; Raghunath, Sushravya M; Rajagopalan, Srinivasan; Moynagh, Michael R; Lindell, Rebecca M; Hartman, Thomas E


    Pulmonary nodules are commonly detected in computed tomography (CT) chest screening of a high-risk population. The specific visual or quantitative features on CT or other modalities can be used to characterize the likelihood that a nodule is benign or malignant. Visual features on CT such as size, attenuation, location, morphology, edge characteristics, and other distinctive "signs" can be highly suggestive of a specific diagnosis and, in general, be used to determine the probability that a specific nodule is benign or malignant. Change in size, attenuation, and morphology on serial follow-up CT, or features on other modalities such as nuclear medicine studies or MRI, can also contribute to the characterization of lung nodules. Imaging analytics can objectively and reproducibly quantify nodule features on CT, nuclear medicine, and magnetic resonance imaging. Some quantitative techniques show great promise in helping to differentiate benign from malignant lesions or to stratify the risk of aggressive versus indolent neoplasm. In this article, we (1) summarize the visual characteristics, descriptors, and signs that may be helpful in management of nodules identified on screening CT, (2) discuss current quantitative and multimodality techniques that aid in the differentiation of nodules, and (3) highlight the power, pitfalls, and limitations of these various techniques.

  5. A Quantitative Risk Analysis Method for the High Hazard Mechanical System in Petroleum and Petrochemical Industry

    Directory of Open Access Journals (Sweden)

    Yang Tang


    Full Text Available The high hazard mechanical system (HHMS has three characteristics in the petroleum and petrochemical industry (PPI: high risk, high cost, and high technology requirements. For a HHMS, part, component, and subsystem failures will result in varying degrees and various types of risk consequences, including unexpected downtime, production losses, economic costs, safety accidents, and environmental pollution. Thus, obtaining the quantitative risk level and distribution in a HHMS to control major risk accidents and ensure safe production is of vital importance. However, the structure of the HHMS is more complex than some other systems, making the quantitative risk analysis process more difficult. Additionally, a variety of uncertain risk data hinder the realization of quantitative risk analysis. A few quantitative risk analysis techniques and studies for HHMS exist, especially in the PPI. Therefore, a study on the quantitative risk analysis method for HHMS was completed to obtain the risk level and distribution of high-risk objects. Firstly, Fuzzy Set Theory (FST was applied to address the uncertain risk data for the occurrence probability (OP and consequence severity (CS in the risk analysis process. Secondly, a fuzzy fault tree analysis (FFTA and a fuzzy event tree analysis (FETA were used to achieve quantitative risk analysis and calculation. Thirdly, a fuzzy bow-tie model (FBTM was established to obtain a quantitative risk assessment result according to the analysis results of the FFTA and FETA. Finally, the feasibility and practicability of the method were verified with a case study on the quantitative risk analysis of one reciprocating pump system (RPS. The quantitative risk analysis method for HHMS can provide more accurate and scientific data support for the development of Asset Integrity Management (AIM systems in the PPI.

  6. Quantitative analysis of Si/SiGeC superlattices using atom probe tomography. (United States)

    Estivill, Robert; Grenier, Adeline; Duguay, Sébastien; Vurpillot, François; Terlier, Tanguy; Barnes, Jean-Paul; Hartmann, Jean-Michel; Blavette, Didier


    SiGe and its alloys are used as key materials in innovative electronic devices. The analysis of these materials together with the localisation of dopants and impurities on a very fine scale is of crucial importance for better understanding their electronic properties. The quantification of carbon and germanium in an as-grown Si/SiGeC superlattice has been investigated using Atom Probe Tomography as a function of analysis conditions and sample anneal temperature. The mass spectrum is heavily influenced by the analysis conditions and chemical identification is needed. It was found that quantitative results are obtained using a intermediate electric field. The evaporation of carbon ions shows a strong spatial and temporal correlation. A series of annealed samples have been analysed, presenting an inhomogeneous carbon distribution, appearing in the shape of small clusters. These findings confirm previous results and give a better understanding of the processes occurring in these technologically important materials. Copyright © 2015 Elsevier B.V. All rights reserved.

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

    International Nuclear Information System (INIS)

    Silva, Clayton P.; Salvador, Vera L.R.; Cotrim, Marycel E.B.; Pires, Maria Ap. F.; Scapin, Marcos A.


    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 50μg. g -1 and uncertainty was shorter than 10% for the determined elements. (author)

  8. 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


    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)

  9. Quantitation of DNA methylation by melt curve analysis

    Directory of Open Access Journals (Sweden)

    Jones Michael E


    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

  10. Quantitative structure-activity relationships and mixture toxicity of organic chemicals in Photobacterium phosphoreum: the Microtox test

    Energy Technology Data Exchange (ETDEWEB)

    Hermens, J.; Busser, F.; Leeuwangh, P.; Musch, A.


    Quantitative structure-activity relationships were calculated for the inhibition of bioluminescence of Photobacterium phosphoreum by 22 nonreactive organic chemicals. The inhibition was measured using the Microtox test and correlated with the partition coefficient between n-octanol and water (Poct), molar refractivity (MR), and molar volume (MW/d). At log Poct less than 1 and greater than 3, deviations from linearity were observed. Introduction of MR and MW/d improved the quality of the relationships. The influences of MR or MW/d may be related with an interaction of the tested chemicals to the enzyme system which produces the light emission. The sensitivity of the Microtox test to the 22 tested compounds is comparable to a 14-day acute mortality test with guppies for chemicals with log Poct less than 4. The inhibition of bioluminescence by a mixture of the tested compounds was slightly less than was expected in case of concentration addition. The Microtox test can give a good estimate of the total aspecific minimum toxicity of polluted waters. When rather lipophilic compounds or pollutants with more specific modes of action are present, this test will underestimate the toxicity to other aquatic life.

  11. Antimicrobial activity of Algerian propolis in foodborne pathogens and its quantitative chemical composition

    Directory of Open Access Journals (Sweden)

    Neila Nedji


    Full Text Available Objective: To evaluate the antimicrobial activity of propolis samples collected from different regions of Algeria and their chemical composition. Methods: The antibacterial activity of ethanolic extract of Algerian propolis against Bacillus cereus (IPA, Staphylococcus aureus (ATCC25923R, Escherichia coli (ATCC25922 and Pseudomonas aeruginosa (ATCC27893R was evaluated by the disc diffusion method and determined as an equivalent of the inhibition zones diameters after incubation of the cultures at 37 °C for 24 h. The investigation of the polyphenol and flavonoid contents was done spectrophotometrically. Results: The ethanolic extract of Algerian propolis samples inhibited the growth of all examined microorganisms with the highest antimicrobial activity against the Gram-positive bacteria. Polyphenol and flavonoids contents were variable, depending on the propolis samples and a positive correlation between antimicrobial activity and chemical composition was observed. Conclusions: Antimicrobial activity, polyphenol and flavonoid contents were variable, depending on the propolis sample. The strong antimicrobial activity of Algerian propolis may be due to high total phenolic and flavonoid contents and this study suggests potential use of propolis in foods.

  12. Quantitative comparison of low radiation doses and doses of a genotoxic industrial chemical: Ethylene oxide

    International Nuclear Information System (INIS)

    Francart-Kindts, M.; Festy, B.; Latarjet, R.


    It can be stated with confidence that there are a number of factors involved in the etiology of cancer, genotoxic ''pollution'' being one of them. Ionizing radiation is one of the factors involved, but the important role played by various chemical products must not be forgotten. Ethylene oxide (EO) is particularly noteworthy in this connection as an alkylating agent, a mutagen and probably also a carcinogen. This gas is used very widely in the chemical industry and also in cold sterilization and disinfection processes. Measurements of the atmospheric concentration of EO have been carried out systematically over short or long periods in four sterilization plants of different capacities. A work study was conducted on 27 persons exposed to the gas every day. In conjunction with atmospheric data and the rad-equivalence principle, the information obtained from the study was used to evaluate their annual occupational exposure, the level of which proved to be high. Biological surveillance of the subjects exposed offers a possible method of checking this evaluation and of monitoring personnel. The alkylation rate of various haemoglobin amino acids can be measured in this way, but here difficulties arise in collecting the necessary blood samples. (author)

  13. Quantitative Structure-Activity Relationship Analysis of the ...

    African Journals Online (AJOL)


    Methods: AM1 semiempirical quantum chemical calculation method was used to find the optimum 3D geometry of the studied molecules. Two types of molecular descriptors, including the 2D .... i and j respectively; w is the average value of property; L is the number of nonzero values in the sum, N is the number of atoms.

  14. 3D Nanoscale Imaging and Quantitative Analysis of Zeolite Catalysts

    NARCIS (Netherlands)

    Zecevic, J.


    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

  15. A new and improved methodology for qualitative and quantitative mineralogical analysis of Boom Clay

    International Nuclear Information System (INIS)

    Zeelmaekers, E.; Vandenberghe, N.; Honty, M.; De Craen, M.; Derkowski, A.; Van Geet, M.


    ;Quanta' (Chevron proprietary software). The Quanta results were further refined with bulk rock chemical analysis (major oxides and trace elements), CEC and water adsorption at 110 deg. C using the 'BestRock' software (Chevron proprietary software). Bestrock provided mineral structural formulae, trace element distributions over the minerals and a set of petrophysical parameters of the individual minerals (e.g. vol.%, mineral density, dry mineral matrix density, hydrogen index, oxygen index) as an output. A quantification of amorphous phases (organic matter, and poorly crystallized Al, Fe and Mn oxy-hydroxides) was carried out by independent techniques as well. (2) The clay fraction (< 2 μm and < 0.2 μm) was studied in order to further refine the clay mineralogical composition. The oriented slides of air-dried and ethylene glycolated clays in Ca-form were used for conventional XRD analysis. In addition, K-, Mg- and Li- saturation and heating to 550 deg. C was also applied in order to discriminate between various clay species. Sybilla software (Chevron proprietary software) was used as a quantification tool in order to model the experimental air-dried and ethylene glycolated diffraction patterns of the basal reflections (001). In addition, as an independent check the theoretical wt% K 2 O and water loss at 200 deg. C for the model was compared to the actual measured values on the clay fraction. Altogether, an integration of the data from Quanta, Bestrock, Sybilla and chemical analysis of bulk rock and clay separates allowed for an up-date of the qualitative and quantitative mineralogical composition of the Boom Clay

  16. Quantitative NMR Approach to Optimize the Formation of Chemical Building Blocks from Abundant Carbohydrates. (United States)

    Elliot, Samuel G; Tolborg, Søren; Sádaba, Irantzu; Taarning, Esben; Meier, Sebastian


    The future role of biomass-derived chemicals relies on the formation of diverse functional monomers in high yields from carbohydrates. Recently, it has become clear that a series of α-hydroxy acids, esters, and lactones can be formed from carbohydrates in alcohol and water solvents using tin-containing catalysts such as Sn-Beta. These compounds are potential building blocks for polyesters bearing additional olefin and alcohol functionalities. An NMR approach was used to identify, quantify, and optimize the formation of these building blocks in the Sn-Beta-catalyzed transformation of abundant carbohydrates. Record yields of the target molecules can be achieved by obstructing competing reactions through solvent selection. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. From "weight of evidence" to quantitative data integration using multicriteria decision analysis and Bayesian methods. (United States)

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


    "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.

  18. Quantitative Analysis of Piezoelectric and Seismoelectric Anomalies in Subsurface Geophysics (United States)

    Eppelbaum, Lev


    problem was the basis for an inverse problem, i.e. revealing depth of a body occurrence, its location in a space as well as determining physical properties. At the same time, this method has not received a wide practical application taking into account complexity of real geological media. Careful analysis piezo- and seismoelectric anomalies shows the possibility of application of quantitative analysis of these effects advanced methodologies developed in magnetic prospecting for complex physical-geological conditions (Eppelbaum et al., 2000, 2001, 2010; Eppelbaum, 2010; 2011, 2015). Employment of these methodologies (improved modifications of tangents, characteristic points areal methods) for obtaining quantitative characteristics of ore bodies, environmental features and archaeological targets (models of horizontal circular cylinder, sphere, thin bed, thick bed and thin horizontal plate were utilized) have demonstrated their effectiveness. Case study at the archaeological site Tel Kara Hadid Field piezoelectric observations were conducted at the ancient archaeological site Tel Kara Hadid with gold-quartz mineralization in southern Israel within the Precambrian terrain at the northern extension of the Arabian-Nubian Shield (Neishtadt et al., 2006). The area of the archaeological site is located eight kilometers north of the town of Eilat, in an area of strong industrial noise. Ancient river alluvial terraces (extremely heterogeneous at a local scale, varying from boulders to silt) cover the quartz veins and complicate their identification. Piezoelectric measurements conducted over a quartz vein covered by surface sediments (approximately of 0.4 m thickness) produced a sharp (500 μV ) piezoelectric anomaly. Values recorded over the host rocks (clays and shales of basic composition) were close to zero. The observed piezoelectric anomaly was successfully interpreted by the use of methodologies developed in magnetic prospecting. For effective integration of piezo- and

  19. Quantitative analysis of a wind energy conversion model

    International Nuclear Information System (INIS)

    Zucker, Florian; Gräbner, Anna; Strunz, Andreas; Meyn, Jan-Peter


    A rotor of 12 cm diameter is attached to a precision electric motor, used as a generator, to make a model wind turbine. Output power of the generator is measured in a wind tunnel with up to 15 m s −1 air velocity. The maximum power is 3.4 W, the power conversion factor from kinetic to electric energy is c p = 0.15. The v 3 power law is confirmed. The model illustrates several technically important features of industrial wind turbines quantitatively. (paper)

  20. Quantitative analysis of error mode, error effect and criticality

    International Nuclear Information System (INIS)

    Li Pengcheng; Zhang Li; Xiao Dongsheng; Chen Guohua


    The quantitative method of human error mode, effect and criticality is developed in order to reach the ultimate goal of Probabilistic Safety Assessment. The criticality identification matrix of human error mode and task is built to identify the critical human error mode and task and the critical organizational root causes on the basis of the identification of human error probability, error effect probability and the criticality index of error effect. Therefore, this will be beneficial to take targeted measures to reduce and prevent the occurrence of critical human error mode and task. Finally, the application of the technique is explained through the application example. (authors)

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

    DEFF Research Database (Denmark)

    Hearns, G.; Blanke, M.


    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...... the design tradeoffs in closed-loop roll reduction can be approximated using this formula before a controller is designed. The robust roll and course keeping controllers designed are then tested using a nonlinear simulation....

  2. Quantitative analysis of water heavy by NMR spectroscopy

    International Nuclear Information System (INIS)

    Gomez Gil, V.


    Nuclear Magnetic Resonance has been applied to a wide variety of quantitative problems. A typical example has been the determination of isotopic composition. In this paper two different analytical methods for the determination of water in deuterium oxide are described. The first one, employs acetonitril as an internal standard compound and in the second one calibration curve of signal integral curve versus amount of D 2 O is constructed. Both methods give results comparable to those of mass spectrometry of IR spectroscopy. (Author) 5 refs

  3. Quantitative analysis of a wind energy conversion model (United States)

    Zucker, Florian; Gräbner, Anna; Strunz, Andreas; Meyn, Jan-Peter


    A rotor of 12 cm diameter is attached to a precision electric motor, used as a generator, to make a model wind turbine. Output power of the generator is measured in a wind tunnel with up to 15 m s-1 air velocity. The maximum power is 3.4 W, the power conversion factor from kinetic to electric energy is cp = 0.15. The v3 power law is confirmed. The model illustrates several technically important features of industrial wind turbines quantitatively.

  4. A detailed pathway analysis of the chemical reaction system generating the Martian vertical ozone profile (United States)

    Stock, Joachim W.; Blaszczak-Boxe, Christopher S.; Lehmann, Ralph; Grenfell, J. Lee; Patzer, A. Beate C.; Rauer, Heike; Yung, Yuk L.


    Atmospheric chemical composition is crucial in determining a planet's atmospheric structure, stability, and evolution. Attaining a quantitative understanding of the essential chemical mechanisms governing atmospheric composition is nontrivial due to complex interactions between chemical species. Trace species, for example, can participate in catalytic cycles - affecting the abundance of major and other trace gas species. Specifically, for Mars, such cycles dictate the abundance of its primary atmospheric constituent, carbon dioxide (CO2), but also for one of its trace gases, ozone (O3). The identification of chemical pathways/cycles by hand is extremely demanding; hence, the application of numerical methods, such as the Pathway Analysis Program (PAP), is crucial to analyze and quantitatively exemplify chemical reaction networks. Here, we carry out the first automated quantitative chemical pathway analysis of Mars' atmosphere with respect to O3. PAP was applied to JPL/Caltech's 1-D updated photochemical Mars model's output data. We determine all significant chemical pathways and their contribution to O3 production and consumption (up to 80 km) in order to investigate the mechanisms causing the characteristic shape of the O3 volume mixing ratio profile, i.e. a ground layer maximum and an ozone layer at ∼50 km. These pathways explain why an O3 layer is present, why it is located at that particular altitude and what the different processes forming the near-surface and middle atmosphere O3 maxima are. Furthermore, we show that the Martian atmosphere can be divided into two chemically distinct regions according to the O(3P):O3 ratio. In the lower region (below approximately 24 km altitude) O3 is the most abundant Ox (= O3 + O(3P)) species. In the upper region (above approximately 24 km altitude), where the O3 layer is located, O(3P) is the most abundant Ox species. Earlier results concerning the formation of O3 on Mars can now be explained with the help of chemical

  5. 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: [Division of Laboratory Sciences, National Center for Environmental Health, Centers for Disease Control and Prevention, Atlanta, GA (United States)


    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.

  6. Diagnostic value of semi-quantitative and quantitative analysis of functional parameters in multiparametric MRI of the prostate. (United States)

    Hauth, Elke; Halbritter, Daniela; Jaeger, Horst; Hohmuth, Horst; Beer, Meinrad


    To determine the diagnostic value of semi-quantitative and quantitative parameters of three functional techniques in multiparametric (mp)-MRI of the prostate. Mp-MRI was performed in 110 patients with suspicion of prostate cancer (PCA) before transrectal ultrasound (TRUS)-guided core biopsy. Peak-enhancement, initial and post-initial enhancement, initial area under gadolinium curve, Ktrans (forward rate constant), Kep (efflux rate constant), Ve (extracellular volume), ADC (apparent diffusion coefficient) and MR spectroscopy ratio were obtained for malignant and benign lesions. For iAUGC, Ktrans, Kep and Ve we evaluated median, mean and the difference (Diff) between mean and median. For ADC we evaluated mean, median, Diff between mean and median, and min. In addition, we evaluated these parameters in dependence of Gleason score in PCA. Receiver operating characteristic analysis and area under curve (AUC) were determined. ADC min and Kep Diff were the best predictors of malignancy in all lesions (AUC: 0.765). ADC min was the best predictor of malignancy for lesions in peripheral zone (PZ) (AUC: 0.7506) and Kep Diff was the best predictor of malignancy for lesions in transitional zone (AUC: 0.7514). Peak enhancement was the best parameter in differentiation of low-grade PCA with Gleason score 6 from high-grade PCA with Gleason score ≥ 7 (AUC: 0.7692). ADC min can differentiate PCA from benign prostate lesions in PZ. Kep Diff could possibly improve prostate cancer detection in. Peak enhancement might be able to differentiate low grade from high-grade PCA. Semi-quantitative and quantitative parameters may be useful for the functional techniques in mp-MRI. Advances in knowledge: ADC min can differentiate PCA from benign prostate lesions in PZ. Peak enhancement might be able to differentiate low grade from high-grade PCA.

  7. Quantitative Analysis of Electron Beam Damage in Organic Thin Films


    Leijten, Zino J. W. A.; Keizer, Arthur D. A.; de With, Gijsbertus; Friedrich, Heiner


    In transmission electron microscopy (TEM) the interaction of an electron beam with polymers such as P3HT:PCBM photovoltaic nanocomposites results in electron beam damage, which is the most important factor limiting acquisition of structural or chemical data at high spatial resolution. Beam effects can vary depending on parameters such as electron dose rate, temperature during imaging, and the presence of water and oxygen in the sample. Furthermore, beam damage will occur at different length s...

  8. MCM - 2 and Ki - 67 as proliferation markers in renal cell carcinoma: A quantitative and semi - quantitative analysis. (United States)

    Mehdi, Muhammad Zain; Nagi, Abdul Hanan; Naseem, Nadia


    Fuhrman nuclear grade is the most important histological parameter to predict prognosis in a patient of renal cell carcinoma (RCC). However, it suffers from inter-observer and intra-observer variation giving rise to need of a parameter that not only correlates with nuclear grade but is also objective and reproducible. Proliferation is the measure of aggressiveness of a tumour and it is strongly correlated with Fuhrman nuclear grade, clinical survival and recurrence in RCC. Ki-67 is conventionally used to assess proliferation. Mini-chromosome maintenance 2 (MCM-2) is a lesser known marker of proliferation and identifies a greater proliferation faction. This study was designed to assess the prognostic significance of MCM-2 by comparing it with Fuhrman nuclear grade and Ki-67. n=50 cases of various ages, stages, histological subtypes and grades of RCC were selected for this study. Immunohistochemical staining using Ki-67(MIB-1, Mouse monoclonal antibody, Dako) and MCM-2 (Mouse monoclonal antibody, Thermo) was performed on the paraffin embedded blocks in the department of Morbid anatomy and Histopathology, University of Health Sciences, Lahore. Labeling indices (LI) were determined by two pathologists independently using quantitative and semi-quantitative analysis. Statistical analysis was carried out using SPSS 20.0. Kruskall-Wallis test was used to determine a correlation of proliferation markers with grade, and Pearson's correlate was used to determine correlation between the two proliferation markers. Labeling index of MCM-2 (median=24.29%) was found to be much higher than Ki-67(median=13.05%). Both markers were significantly related with grade (p=0.00; Kruskall-Wallis test). LI of MCM-2 was found to correlate significantly with LI of Ki-67(r=0.0934;p=0.01 with Pearson's correlate). Results of semi-quantitative analysis correlated well with quantitative analysis. Both Ki-67 and MCM-2 are markers of proliferation which are closely linked to grade. Therefore, they

  9. 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)


    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.

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

    International Nuclear Information System (INIS)

    Hwang, Ji Young; Lee, Sun Wha; Park, Youn Soo


    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) (ρ < 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

  11. Electron Spectroscopy: Applications for Chemical Analysis (United States)

    Heercules, David M.


    The development of XPS as an effective method for surface analysis during the period 1964-1977 is presented. The study shows that unlike other surface methods, XPS data can be obtained for both conductors and insulators and a variety of samples can be handled effectively, which is one of the major reasons for the popularity of the technique.

  12. Droplet microfluidics in (bio) chemical analysis

    Czech Academy of Sciences Publication Activity Database

    Basova, E. Y.; Foret, František


    Roč. 140, č. 1 (2015), s. 22-38 ISSN 0003-2654 R&D Projects: GA ČR(CZ) GBP206/12/G014 Institutional support: RVO:68081715 Keywords : droplet chemistry * bio analysis * microfluidics * protein Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 4.033, year: 2015


    African Journals Online (AJOL)

    X-ray fluorescence analyzer (XRF) was employed in the analysis of some local and imported stocks of gypsum and limestone utilized by a leading cement manufacturing industry in Nigeria. In addition, the recycled dust standard reference samples were also analyzed along with the raw materials in question. The gypsum ...

  14. Chemical composition, antimicrobial activity, proximate analysis and ...

    African Journals Online (AJOL)

    Detarium senegalense JF Gmelin (Caesalpiniaceae), commonly known as tallow tree, is used traditionally for the treatment of bronchitis, pneumonia, internal complaints and skin diseases in Tropical Africa. The seed is used as a soup thickener in Eastern Nigeria. Analysis of the petroleum ether extract of the seeds with ...

  15. Chemical aspects of nuclear methods of analysis

    International Nuclear Information System (INIS)


    This final report includes papers which fall into three general areas: development of practical pre-analysis separation techniques, uranium/thorium separation from other elements for analytical and processing operations, and theory and mechanism of separation techniques. A separate abstract was prepared for each of the 9 papers

  16. Arrays in biological and chemical analysis

    DEFF Research Database (Denmark)

    Christensen, Claus Bo Vöge


    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...

  17. Value of quantitative phase analysis for the detection of coronary artery disease

    International Nuclear Information System (INIS)

    Laurens, M.H.; Brunotte, F.; Thouvenot, P.; Itty, C.; Robert, J.; Boursier, M.; Gilgenkrantz, J.M.


    The objective of the study was to express in quantitative data the differences observed in the phase image, at rest and during exercise, between normal subjects and patients with coronary artery disease. The quantitative analysis of phase image provided interesting informations about myocardial ischemia but its performances were not better than usual radionuclide ventriculography investigation [fr

  18. Use of MRI in Differentiation of Papillary Renal Cell Carcinoma Subtypes: Qualitative and Quantitative Analysis. (United States)

    Doshi, Ankur M; Ream, Justin M; Kierans, Andrea S; Bilbily, Matthew; Rusinek, Henry; Huang, William C; Chandarana, Hersh


    The purpose of this study was to determine whether qualitative and quantitative MRI feature analysis is useful for differentiating type 1 from type 2 papillary renal cell carcinoma (PRCC). This retrospective study included 21 type 1 and 17 type 2 PRCCs evaluated with preoperative MRI. Two radiologists independently evaluated various qualitative features, including signal intensity, heterogeneity, and margin. For the quantitative analysis, a radiology fellow and a medical student independently drew 3D volumes of interest over the entire tumor on T2-weighted HASTE images, apparent diffusion coefficient parametric maps, and nephrographic phase contrast-enhanced MR images to derive first-order texture metrics. Qualitative and quantitative features were compared between the groups. For both readers, qualitative features with greater frequency in type 2 PRCC included heterogeneous enhancement, indistinct margin, and T2 heterogeneity (all, p Quantitative analysis revealed that apparent diffusion coefficient, HASTE, and contrast-enhanced entropy were greater in type 2 PRCC (p quantitative and qualitative model had an AUC of 0.859. Qualitative features within the model had interreader concordance of 84-95%, and the quantitative data had intraclass coefficients of 0.873-0.961. Qualitative and quantitative features can help discriminate between type 1 and type 2 PRCC. Quantitative analysis may capture useful information that complements the qualitative appearance while benefiting from high interobserver agreement.

  19. An Inexpensive Electrodeposition Device and Its Use in a Quantitative Analysis Laboratory Exercise (United States)

    Parker, Richard H.


    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…

  20. A Quantitative Proteomic Analysis of In Vitro Assembled Chromatin* (United States)

    Völker-Albert, Moritz Carl; Pusch, Miriam Caroline; Fedisch, Andreas; Schilcher, Pierre; Schmidt, Andreas; Imhof, Axel


    The structure of chromatin is critical for many aspects of cellular physiology and is considered to be the primary medium to store epigenetic information. It is defined by the histone molecules that constitute the nucleosome, the positioning of the nucleosomes along the DNA and the non-histone proteins that associate with it. These factors help to establish and maintain a largely DNA sequence-independent but surprisingly stable structure. Chromatin is extensively disassembled and reassembled during DNA replication, repair, recombination or transcription in order to allow the necessary factors to gain access to their substrate. Despite such constant interference with chromatin structure, the epigenetic information is generally well maintained. Surprisingly, the mechanisms that coordinate chromatin assembly and ensure proper assembly are not particularly well understood. Here, we use label free quantitative mass spectrometry to describe the kinetics of in vitro assembled chromatin supported by an embryo extract prepared from preblastoderm Drosophila melanogaster embryos. The use of a data independent acquisition method for proteome wide quantitation allows a time resolved comparison of in vitro chromatin assembly. A comparison of our in vitro data with proteomic studies of replicative chromatin assembly in vivo reveals an extensive overlap showing that the in vitro system can be used for investigating the kinetics of chromatin assembly in a proteome-wide manner. PMID:26811354

  1. Quantitative Raman spectroscopy for the analysis of carrot bioactives. (United States)

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


    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.

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

    International Nuclear Information System (INIS)

    Chiu, Weihsueh A.; Euling, Susan Y.; Scott, Cheryl Siegel; Subramaniam, Ravi P.


    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

  3. 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


    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.

  4. Quantitative bacterial examination and chemical evaluation of Diet, Club, and Ice-cream Sodas, Soft Drinks

    International Nuclear Information System (INIS)

    Watoo, M.K.S.; Watoo, F.S.; Kazi, T.G.; Tirmizi, S.A.; Iqbal, J.


    Diet, club, and ice cream sodas are flavored soft drinks consumed throughout the world, especially in summer seasons. This study has been undertaken to monitor the bacterial and chemical contamination of these national and international branded drinks procured from local markets. The isolated coliforms and microbes were E. coli Salmonella spp, Klebsiella spp, Enterobacter spp, Shigella spp, and Bacillus cereus. Diet and club sodas were less contaminated with microorganisms than were ice-cream sodas. Fifteen trace and toxic elements were identified with an atomic absorption spectrophotometer following the improved ash digestion method. The values of Nickel (Ni), (0.15 mg/L), (Pb) (0.28mg/L), Cadmium (Cd) (0.13mg/L) and Aluminum (Al) (0.76 mg/L) were higher than the (WHO) recommended limits. The concentrations of (Na, Fe, Pb) and Chromium (Cr) were higher in club sodas than diet and ice-cream sodas and the concentrations of Calcium (Ca), (Mn) in ice-cream sodas were also higher than diet and club sodas. Overall, the ice-cream sodas did not conform to the (WHO) standards allowed for safe ingestion of micro- and macro-metals in various drinks. (author)

  5. Transportation and quantitative analysis of socio-economic development of relations (United States)

    Chen, Yun


    Transportation has a close relationship with socio-economic. This article selects the indicators which can measure the development of transportation and socio-economic, using the method of correlation analysis, regression analysis, intensity of transportation analysis and transport elastic analysis, to analyze the relationship between them quantitatively, so that it has the fact guiding sense in the national development planning for the future.

  6. Bridging the gaps for global sustainable development: a quantitative analysis. (United States)

    Udo, Victor E; Jansson, Peter Mark


    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

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

    DEFF Research Database (Denmark)

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


    UNLABELLED: Protein phosphorylation can regulate most of the important processes in muscle, such as metabolism and contraction. The postmortem (PM) metabolism and rigor mortis have essential effects on meat quality. In order to identify and characterize the protein phosphorylation events involved...... in meat quality development, a quantitative mass spectrometry-based phosphoproteomic study was performed to analyze the porcine muscle within 24h PM using dimethyl labeling combined with the TiSH phosphopeptide enrichment strategy. In total 305 unique proteins were identified, including 160...... phosphoproteins with 784 phosphorylation sites. Among these, 184 phosphorylation sites on 93 proteins had their phosphorylation levels significantly changed. The proteins involved in glucose metabolism and muscle contraction were the two largest clusters of phosphoproteins with significantly changed...

  8. Quantitative analysis of distributed control paradigms of robot swarms

    DEFF Research Database (Denmark)

    Ngo, Trung Dung


    Given a task of designing controller for mobile robots in swarms, one might wonder which distributed control paradigms should be selected. Until now, paradigms of robot controllers have been within either behaviour based control or neural network based control, which have been recognized as two...... mainstreams of controller design for mobile robots. However, in swarm robotics, it is not clear how to determine control paradigms. In this paper we study the two control paradigms with various experiments of swarm aggregation. First, we introduce the two control paradigms for mobile robots. Second, we...... 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...

  9. [Automation of chemical analysis in enology]. (United States)

    Dubernet, M


    Automatic dosages took place a short time ago in oenology laboratories. First researchs about automation of usual manual analysis have been completed by I.N.R.A. Station of Dijon during 1969--1972 years. Then, other researchs were made and in 1974 the first automatic analyser appeared in application laboratories. In all cases continuous flow method was used. First dosages which has been carried out are volatic acidity, residual sugars, total SO2. The rate of work is 30 samples an hour. Then, an original way for free SO2 was suggested. At present, about a dozen of laboratories in France use these dosages. The ethanol dosage automation, very important in oenology, is very difficult to carry out. A new method using a thermometric analyzer is tested. Research about many dosages as tartaric, malic, lactic acids, glucose, fructose, glycérol, have been performed especially by I.N.R.A. Station in Narbonne. But these dosages are not current and at present no laboratory apply them. Now, equipments price and redemption, change of tradionnal dosages for automatical methods and the level of knowledge required for operators are well known. The reproducibility and the accuracy of the continuous flow automatic dosages allow, for enough important laboratories, to make an increasing number of analysis necessary for wine quality control.

  10. Surface chemical composition analysis of heat-treated bamboo

    International Nuclear Information System (INIS)

    Meng, Fan-dan; Yu, Yang-lun; Zhang, Ya-mei; Yu, Wen-ji; Gao, Jian-min


    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.

  11. Binary classification of a large collection of environmental chemicals from estrogen receptor assays by quantitative structure-activity relationship and machine learning methods. (United States)

    Zang, Qingda; Rotroff, Daniel M; Judson, Richard S


    There are thousands of environmental chemicals subject to regulatory decisions for endocrine disrupting potential. The ToxCast and Tox21 programs have tested ∼8200 chemicals in a broad screening panel of in vitro high-throughput screening (HTS) assays for estrogen receptor (ER) agonist and antagonist activity. The present work uses this large data set to develop in silico quantitative structure-activity relationship (QSAR) models using machine learning (ML) methods and a novel approach to manage the imbalanced data distribution. Training compounds from the ToxCast project were categorized as active or inactive (binding or nonbinding) classes based on a composite ER Interaction Score derived from a collection of 13 ER in vitro assays. A total of 1537 chemicals from ToxCast were used to derive and optimize the binary classification models while 5073 additional chemicals from the Tox21 project, evaluated in 2 of the 13 in vitro assays, were used to externally validate the model performance. In order to handle the imbalanced distribution of active and inactive chemicals, we developed a cluster-selection strategy to minimize information loss and increase predictive performance and compared this strategy to three currently popular techniques: cost-sensitive learning, oversampling of the minority class, and undersampling of the majority class. QSAR classification models were built to relate the molecular structures of chemicals to their ER activities using linear discriminant analysis (LDA), classification and regression trees (CART), and support vector machines (SVM) with 51 molecular descriptors from QikProp and 4328 bits of structural fingerprints as explanatory variables. A random forest (RF) feature selection method was employed to extract the structural features most relevant to the ER activity. The best model was obtained using SVM in combination with a subset of descriptors identified from a large set via the RF algorithm, which recognized the active and

  12. Quantitative analysis by microchip capillary electrophoresis – current limitations and problem-solving strategies

    NARCIS (Netherlands)

    Revermann, T.; Götz, S.; Künnemeyer, Jens; Karst, U.


    Obstacles and possible solutions for the application of microchip capillary electrophoresis in quantitative analysis are described and critically discussed. Differences between the phenomena occurring during conventional capillary electrophoresis and microchip-based capillary electrophoresis are

  13. Operation Iraqi Freedom 04 - 06: Opportunities to Apply Quantitative Methods to Intelligence Analysis

    National Research Council Canada - National Science Library

    Hansen, Eric C


    The purpose of this presentation is to illustrate the need for a quantitative analytical capability within organizations and staffs that provide intelligence analysis to Army, Joint, and Coalition Force headquarters...

  14. Quantitative PCR is a Valuable Tool to Monitor the Performance of DNA-Encoded Chemical Library Selections. (United States)

    Li, Yizhou; Zimmermann, Gunther; Scheuermann, Jörg; Neri, Dario


    Phage-display libraries and DNA-encoded chemical libraries (DECLs) represent useful tools for the isolation of specific binding molecules from large combinatorial sets of compounds. With both methods, specific binders are recovered at the end of affinity capture procedures by using target proteins of interest immobilized on a solid support. However, although the efficiency of phage-display selections is routinely quantified by counting the phage titer before and after the affinity capture step, no similar quantification procedures have been reported for the characterization of DECL selections. In this article, we describe the potential and limitations of quantitative PCR (qPCR) methods for the evaluation of selection efficiency by using a combinatorial chemical library with more than 35 million compounds. In the experimental conditions chosen for the selections, a quantification of DNA input/recovery over five orders of magnitude could be performed, revealing a successful enrichment of abundant binders, which could be confirmed by DNA sequencing. qPCR provided rapid information about the performance of selections, thus facilitating the optimization of experimental conditions. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Chemical kinetic functional sensitivity analysis: Elementary sensitivities

    International Nuclear Information System (INIS)

    Demiralp, M.; Rabitz, H.


    Sensitivity analysis is considered for kinetics problems defined in the space--time domain. This extends an earlier temporal Green's function method to handle calculations of elementary functional sensitivities deltau/sub i//deltaα/sub j/ where u/sub i/ is the ith species concentration and α/sub j/ is the jth system parameter. The system parameters include rate constants, diffusion coefficients, initial conditions, boundary conditions, or any other well-defined variables in the kinetic equations. These parameters are generally considered to be functions of position and/or time. Derivation of the governing equations for the sensitivities and the Green's funciton are presented. The physical interpretation of the Green's function and sensitivities is given along with a discussion of the relation of this work to earlier research

  16. In situ semi-quantitative analysis of polluted soils by laser-induced breakdown spectroscopy (LIBS). (United States)

    Ismaël, Amina; Bousquet, Bruno; Michel-Le Pierrès, Karine; Travaillé, Grégoire; Canioni, Lionel; Roy, Stéphane


    Time-saving, low-cost analyses of soil contamination are required to ensure fast and efficient pollution removal and remedial operations. In this work, laser-induced breakdown spectroscopy (LIBS) has been successfully applied to in situ analyses of polluted soils, providing direct semi-quantitative information about the extent of pollution. A field campaign has been carried out in Brittany (France) on a site presenting high levels of heavy metal concentrations. Results on iron as a major component as well as on lead and copper as minor components are reported. Soil samples were dried and prepared as pressed pellets to minimize the effects of moisture and density on the results. LIBS analyses were performed with a Nd:YAG laser operating at 1064 nm, 60 mJ per 10 ns pulse, at a repetition rate of 10 Hz with a diameter of 500 μm on the sample surface. Good correlations were obtained between the LIBS signals and the values of concentrations deduced from inductively coupled plasma atomic emission spectroscopy (ICP-AES). This result proves that LIBS is an efficient method for optimizing sampling operations. Indeed, "LIBS maps" were established directly on-site, providing valuable assistance in optimizing the selection of the most relevant samples for future expensive and time-consuming laboratory analysis and avoiding useless analyses of very similar samples. Finally, it is emphasized that in situ LIBS is not described here as an alternative quantitative analytical method to the usual laboratory measurements but simply as an efficient time-saving tool to optimize sampling operations and to drastically reduce the number of soil samples to be analyzed, thus reducing costs. The detection limits of 200 ppm for lead and 80 ppm for copper reported here are compatible with the thresholds of toxicity; thus, this in situ LIBS campaign was fully validated for these two elements. Consequently, further experiments are planned to extend this study to other chemical elements and other

  17. Effects of atrazine in fish, amphibians, and reptiles: an analysis based on quantitative weight of evidence. (United States)

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


    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.

  18. Multiparent intercross populations in analysis of quantitative traits

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Genetics; Volume 91; Issue 1 ... gene mapping; QTL analysis; multiparent intercross population; MAGIC; AMPRIL; association mapping. ... In conventional QTL analysis, F2, backcross populations, recombinant inbred lines, backcross inbred lines and double haploids from biparental crosses are ...

  19. Handbook of Basic Tables for Chemical Analysis. Final report

    International Nuclear Information System (INIS)

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


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

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

    Energy Technology Data Exchange (ETDEWEB)

    Miro, A; Notis, M R


    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.

  1. Quantitative image analysis in the assessment of diffuse large B-cell lymphoma. (United States)

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


    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

  2. The cutting edge - Micro-CT for quantitative toolmark analysis of sharp force trauma to bone


    Norman, D. G.; Watson, Derrick G.; Burnett, B.; Fenne, P. M.; Williams, M. A. (Mark A.)


    Toolmark analysis involves examining marks created on an object to identify the likely tool responsible for creating those marks (e.g., a knife). Although a potentially powerful forensic tool, knife mark analysis is still in its infancy and the validation of imaging techniques as well as quantitative approaches is ongoing. This study builds on previous work by simulating real-world stabbings experimentally and statistically exploring quantitative toolmark properties, such as cut mark angle ca...

  3. A route to quantitative 13C NMR analysis of multicomponent polyesters

    DEFF Research Database (Denmark)

    Hvilsted, S.


    A protocol for quantitative sequential 13C NMR analysis is developed for polyesters composed of trimethylol propane (TMP), neopentyl glycol (NPG), and adipic and isophthalic acids. TMP centred, structural models with methyl adipate and isophthalate branches in all possible combinations are synthe......A protocol for quantitative sequential 13C NMR analysis is developed for polyesters composed of trimethylol propane (TMP), neopentyl glycol (NPG), and adipic and isophthalic acids. TMP centred, structural models with methyl adipate and isophthalate branches in all possible combinations...

  4. 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


    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

  5. Development of chemical analysis techniques: pt. 3

    International Nuclear Information System (INIS)

    Kim, K.J.; Chi, K.Y.; Choi, G.C.


    For the purpose of determining trace rare earths a spectrofluorimetric method has been studied. Except Ce and Tb, the fluorescence intensities are not enough to allow satisfactory analysis. Complexing agents such as tungstate and hexafluoroacetylacetone should be employed to increase fluorescence intensities. As a preliminary experiment for the separation of individual rare earth element and uranium, the distribution coefficient, % S here, are obtained on the Dowex 50 W against HCl concentration by a batch method. These % S data are utilized to obtain elution curves. The % S data showed a minimum at around 4 M HCl. To understand this previously known phenomenon the adsorption of Cl - on Dowex 50 W is examined as a function of HCl concentration and found to be decreasing while % S of rare earths increasing. It is interpreted that Cl - and rare earth ions are moved into the resin phase separately and that the charge and the charge densities of these ions are responsible for the different % S curves. Dehydration appears to play an important role in the upturn of the % S curves at higher HCl concentrations

  6. Quantitative analysis of PMR-15 polyimide resin by HPLC (United States)

    Roberts, Gary D.; Lauver, Richard W.


    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.

  7. Quantitative real-time PCR data analysis with R


    Machado de Souza, Ignacio Nicolás


    This dissertation covers an introduction to the field of qPCR data analysis using the state-of-the-art R programming language. qPCR analyses genomic data based on the DNA replication. After showing a set of basic biological and statistics concepts, the roots of qPCR technology, together with its principal data analysis modelisations (visualisation, filtering, clustering, ...) are shown. A web application has been developed to ease and extend qPCR data analysis functionalities to other areas s...

  8. [Device for quantitative analysis of perception and pain sensation]. (United States)

    Arita, Hideko; Kato, Jitsu; Ogawa, Setsuro; Hanaoka, Kazuo


    The article describes an analysing device that measures the perception and intensity of pain quantitatively. While it is not necessarily true that psychological aspect is totally irrelevant to pain measurement, this device is remarkable in that it is capable of measuring the intensity of pain felt by the patient more objectively by using electric stimuli. The feature of this device is that it uses a non-pain heteresthesia for measuring the intensity of pain. The device is compact, light-weight, and portable. Unlike VAS that requires only a scale, the device requires a person to carry out the measurement. Nevertheless, as the National Health Insurance (NHI) coverage has been approved, introduction of the device may be facilitated in terms of budget for the purchase and labor. The device is useful to better understand not only the intensity of pain but also the pathological conditions, resulting in more appropriate treatment, by (1) comparing degree of pain or VAS values taken by a multicenter study with those of a patient; (2) using both degree of pain and VAS; and (3) multiple measurements of degree of pain and VAS in one case.

  9. Quantitative analysis of agricultural land use change in China (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.

  10. Quantitative Image Analysis Techniques with High-Speed Schlieren Photography (United States)

    Pollard, Victoria J.; Herron, Andrew J.


    Optical flow visualization techniques such as schlieren and shadowgraph photography are essential to understanding fluid flow when interpreting acquired wind tunnel test data. Output of the standard implementations of these visualization techniques in test facilities are often limited only to qualitative interpretation of the resulting images. Although various quantitative optical techniques have been developed, these techniques often require special equipment or are focused on obtaining very precise and accurate data about the visualized flow. These systems are not practical in small, production wind tunnel test facilities. However, high-speed photography capability has become a common upgrade to many test facilities in order to better capture images of unsteady flow phenomena such as oscillating shocks and flow separation. This paper describes novel techniques utilized by the authors to analyze captured high-speed schlieren and shadowgraph imagery from wind tunnel testing for quantification of observed unsteady flow frequency content. Such techniques have applications in parametric geometry studies and in small facilities where more specialized equipment may not be available.

  11. Quantitative analysis of the thermal damping of coherent axion oscillations

    International Nuclear Information System (INIS)

    Turner, M.S.


    Unruh and Wald have recently discussed a new mechanism for damping coherent axion oscillations, ''thermal damping,'' which occurs due to the temperature dependence of the axion mass and neutrino viscosity. We investigate the effect quantitatively and find that the present energy density in axions can be written as rho/sub a/ = rho/sub a0//(1+J/sub UW/), where rho/sub a/0 is what the axion energy density would be in the absence of the thermal-damping effect and J/sub UW/ is an integral whose integrand depends upon (dm/sub a//dT) 2 . As a function of f(equivalentPeccei-Quinn symmetry-breaking scale) J/sub UW/ achieves its maximum value for f/sub PQ/approx. =3 x 10 12 GeV; unless the axion mass turn-on is very sudden, Vertical Bar(T/m/sub a/)(dm/sub a//dT)Vertical Bar>>1, J/sub UW/ is <<1, implying that this damping mechanism is not significant

  12. Quantitative analysis of impact measurements using dynamic load cells

    Directory of Open Access Journals (Sweden)

    Brent J. Maranzano


    Full Text Available A mathematical model is used to estimate material properties from a short duration transient impact force measured by dropping spheres onto rectangular coupons fixed to a dynamic load cell. The contact stress between the dynamic load cell surface and the projectile are modeled using Hertzian contact mechanics. Due to the short impact time relative to the load cell dynamics, an additional Kelvin–Voigt element is included in the model to account for the finite response time of the piezoelectric crystal. Calculations with and without the Kelvin–Voigt element are compared to experimental data collected from combinations of polymeric spheres and polymeric and metallic surfaces. The results illustrate that the inclusion of the Kelvin–Voigt element qualitatively captures the post impact resonance and non-linear behavior of the load cell signal and quantitatively improves the estimation of the Young's elastic modulus and Poisson's ratio. Mathematically, the additional KV element couples one additional differential equation to the Hertzian spring-dashpot equation. The model can be numerically integrated in seconds using standard numerical techniques allowing for its use as a rapid technique for the estimation of material properties. Keywords: Young's modulus, Poisson's ratio, Dynamic load cell

  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


    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 complexes in electron irradiated CZ silicon

    International Nuclear Information System (INIS)

    Inoue, N.; Ohyama, H.; Goto, Y.; Sugiyama, T.


    Complexes in helium or electron irradiated silicon are quantitatively analyzed by highly sensitive and accurate infrared (IR) absorption spectroscopy. Carbon concentration (1x10 15 -1x10 17 cm -3 ) and helium dose (5x10 12 -5x10 13 cm -2 ) or electron dose (1x10 15 -1x10 17 cm -2 ) are changed by two orders of magnitude in relatively low regime compared to the previous works. It is demonstrated that the carbon-related complex in low carbon concentration silicon of commercial grade with low electron dose can be detected clearly. Concentration of these complexes is estimated. It is clarified that the complex configuration and thermal behavior in low carbon and low dose samples is simple and almost confined within the individual complex family compared to those in high concentration and high dose samples. Well-established complex behavior in electron-irradiated sample is compared to that in He-irradiated samples, obtained by deep level transient spectroscopy (DLTS) or cathodoluminescence (CL), which had close relation to the Si power device performance

  15. Software system for X-ray diffraction quantitative phase analysis

    International Nuclear Information System (INIS)

    Fuentes, L.; Herrera, V.; Rubio, E.


    A system of experimental methods and computer programs for X-ray diffraction analysis is presented. The most important cases occurring in practice are considered. Program MARIA for spectral analysis is described. The external standard method for powder analysis is presented. Program STANDEXT calculates the sample absorption coefficient, the concentrations and standard deviations by a least squares method. For the case of partly identified samples, the internal standard method is developed. All measured peak are considered in the calculations. Program STANDINT solves the concentrations of the identified phases, their errors and the sample's absorption coefficient. A modification is introduced in the so-called direct method for massive sample analysis. The effect of texture is characterized by model representation of the inverse pole figure associated to the sample diffracting surface. Program DIREC is proposed for titting texture-modulated theoretical diffraction patterns to experimental ones, thus calculating phase concentrations and corresponding errors. Examples are given in some applications

  16. Development of quantitative structure-activity relationship (QSAR) models to predict the carcinogenic potency of chemicals. II. Using oral slope factor as a measure of carcinogenic potency. (United States)

    Wang, Nina Ching Yi; Venkatapathy, Raghuraman; Bruce, Robert Mark; Moudgal, Chandrika


    The overall risk associated with exposure to a chemical is determined by combining quantitative estimates of exposure to the chemical with their known health effects. For chemicals that cause carcinogenicity, oral slope factors (OSFs) and inhalation unit risks are used to quantitatively estimate the carcinogenic potency or the risk associated with exposure to the chemical by oral or inhalation route, respectively. Frequently, there is a lack of animal or human studies in the literature to determine OSFs. This study aims to circumvent this problem by developing quantitative structure-activity relationship (QSAR) models to predict the OSFs of chemicals. The OSFs of 70 chemicals based on male/female human, rat, and mouse bioassay data were obtained from the United States Environmental Protection Agency's Integrated Risk Information System (IRIS) database. A global QSAR model that considered all 70 chemicals as well as species and/or sex-specific QSARs were developed in this study. Study results indicate that the species and sex-specific QSARs (r(2)>0.8, q(2)>0.7) had a better predictive abilities than the global QSAR developed using data from all species and sexes (r(2)=0.77, q(2)=0.73). The QSARs developed in this study were externally validated, and demonstrated reasonable predictive abilities. Copyright © 2010 Elsevier Inc. All rights reserved.

  17. 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.

  18. Effects of Single and Combined Application of Organic, Biological and Chemical Fertilizers on Quantitative and Qualitative Yield of Coriander (Coriandrum sativum

    Directory of Open Access Journals (Sweden)

    M. Aghhavani Shajari


    Full Text Available Introduction: Medicinal plants were one of the main natural resources of Iran from ancient times. Coriander (Coriandrum sativum L. is from Apiaceae family that it has cultivated extensively in the world. Management and environmental factors such as nutritional management has a significant impact on the quantity and quality of plants. Application of organic fertilizers in conventional farming systems is not common and most of the nutritional need of plants supply through chemical fertilizers for short period. Excessive and unbalanced use of fertilizers in the long period, reduce crop yield and soil biological activity, accumulation of nitrates and heavy metals, and finally cause negative environmental effects and increase the cost of production. The use of bio-fertilizers and organic matter are taken into consideration to reduce the use of chemical fertilizers and increase the quality of most crops. Stability and soil fertility through the use of organic fertilizers are important due to having most of the elements required by plants and beneficial effects on physical, chemical, biological and soil fertility. Therefore, the aim of this research was to evaluate the effects of organic, biological and chemical fertilizers on quality and quantity characteristics of coriander. Materials and Methods: In order to study the effects of single and combined applications of organic, biological and chemical fertilizers on quantitative and qualitative characteristics of Coriander (Coriandrum sativum, an experiment was conducted based on a randomized complete block design with three replications and 12 treatments at Research Station, Faculty of Agriculture, Ferdowsi University of Mashhad, Iran, in - 2011. Treatments included: (1 mycorrhizae (Glomus mosseae (2 biosulfur (Thiobacillus sp., (3 chemical fertilizer (NPK, (4 cow manure, 5( vermin compost, 6( mycorrhizae + chemical fertilizer, 7( mycorrhizae + cow manure, 8( mycorrhizae + vermicompost, 9( biosulfur

  19. On the analysis of complex biological supply chains: From Process Systems Engineering to Quantitative Systems Pharmacology. (United States)

    Rao, Rohit T; Scherholz, Megerle L; Hartmanshenn, Clara; Bae, Seul-A; Androulakis, Ioannis P


    The use of models in biology has become particularly relevant as it enables investigators to develop a mechanistic framework for understanding the operating principles of living systems as well as in quantitatively predicting their response to both pathological perturbations and pharmacological interventions. This application has resulted in a synergistic convergence of systems biology and pharmacokinetic-pharmacodynamic modeling techniques that has led to the emergence of quantitative systems pharmacology (QSP). In this review, we discuss how the foundational principles of chemical process systems engineering inform the progressive development of more physiologically-based systems biology models.

  20. [CIPA (Comprehensive Individualized Process Analysis)--a method for combining quantitative and qualitative individual case analysis]. (United States)

    Regli, D; Grawe, K; Gassmann, D; Dick, A


    The main question of psychotherapy research nowadays is how psychotherapy works. Hence, interest focuses mainly on the process of psychotherapy. General change mechanisms as well as the therapeutic interaction are in the center of research interest. On the basis of process outcome findings (Orlinsky, Grawe, Parks 1994) and the schema theory of Grawe (1987) we developed a research instrument allowing the analysis of therapies from a theoretically and quantitative approaches. The research instrument (CIPA-Comprehensive Individualized Process Analysis) consist of three parts: The scales of the first part assess the general working mechanisms and the therapeutic relationship. The second part allows a rating of the patient's interactions inside and outside the therapy. In the third part the individual schemata are rated. The instrument and the research strategy are being illustrated by means of a selected therapy recorded completely on video tape. The results are interpreted on the basis of the individual schema structure as well as the therapy outcome. The possibility offered by the new instrument to combine quantitative and qualitative research strategies is discussed.

  1. Multimodality comparison of quantitative volumetric analysis of the right ventricle. (United States)

    Sugeng, Lissa; Mor-Avi, Victor; Weinert, Lynn; Niel, Johannes; Ebner, Christian; Steringer-Mascherbauer, Regina; Bartolles, Ralf; Baumann, Rolf; Schummers, Georg; Lang, Roberto M; Nesser, Hans-Joachim


    We undertook volumetric analysis of the right ventricle (RV) by real-time 3-dimensional echocardiography (RT3DE), cardiac magnetic resonance (CMR), and cardiac computed tomography (CCT) on images obtained in RV-shaped phantoms and in patients with a wide range of RV geometry. Assessment of the RV by 2-dimensional (2D) echocardiography remains challenging due to its unique geometry and limitations of the current analysis techniques. RT3DE, CMR, and CCT, which can quantify RV volumes, promise to overcome the limitations of 2D echocardiography. Images were analyzed using RV Analysis software. Volumes measured in vitro were compared with the true volumes. The human protocol included 28 patients who underwent RT3DE, CMR, and CT on the same day. Volumetric analysis of CMR images was used as a reference, against which RT3DE and CCT measurements were compared using linear regression and Bland-Altman analyses. To determine the reproducibility of the volumetric analysis, repeated measurements were performed for all 3 imaging modalities in 11 patients. The in vitro measurements showed that: 1) volumetric analysis of CMR images yielded the most accurate measurements; 2) CCT measurements showed slight (4%) but consistent overestimation; and 3) RT3DE measurements showed small underestimation, but considerably wider margins of error. In humans, both RT3DE and CCT measurements correlated highly with the CMR reference (r=0.79 to 0.89) and showed the same trends of underestimation and overestimation noted in vitro. All interobserver and intraobserver variability values were <14%, with those of CMR being the highest. Volumetric quantification of RV volume was performed on CMR, CCT, and RT3DE images. Eliminating analysis-related intermodality differences allowed fair comparisons and highlighted the unique limitations of each modality. Understanding these differences promises to aid in the functional assessment of the RV. Copyright (c) 2010 American College of Cardiology Foundation

  2. Histopathological image analysis of chemical-induced hepatocellular hypertrophy in mice. (United States)

    Asaoka, Yoshiji; Togashi, Yuko; Mutsuga, Mayu; Imura, Naoko; Miyoshi, Tomoya; Miyamoto, Yohei


    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. Copyright © 2015 Elsevier GmbH. All rights reserved.

  3. Quantitative analysis of some volatile components in Mimusops elengi L.

    Directory of Open Access Journals (Sweden)

    Chantana Aromdee


    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.

  4. Quantitative Change and Use Analysis of Agricultural Land in China (United States)

    Fu, Y.; Chou, J.; Dong, W.


    Climatic change, economic and scientific development and political guidance irritate the change of land use. With the index of crop sown area, this paper mainly explores the agricultural land use situation in these years of China. Accumulated temperature and urbanization rate are used to analyze space-time difference and its impact mechanism of crop sown area, for the quantitative change of agricultural land. While cropping index reflected agricultural land use is considered to obtain the actual use of cultivated land and its surplus capacity. Some results are concluded as follows: (1) from 1949 to 2010, crop sown area has a generally slow growth in China, however, with obvious space diversity. Most quickly increase and decrease are reflected in Xinjiang and North China, and the size of agricultural land ranks from the midland to the east and to the west of China. (2) Based on the relationship of accumulated temperature and cropping system, effect of climatic change, urbanization and other factors aggregated on crop sown area increase are considered. It is confirmed that warming promotes much little, urbanization restrains mainly in South China, northeast China, Xinjiang and southwest China, and other factors aggregated accelerate agricultural land of the rest of China. (3) From 1980 to 2009, agricultural land use degree keeps unceasing deepening. By the common influence of decreased cultivated area and less potential cropping index than actual cropping index, surplus capacity of cultivated area induces, from 6.27*107 hm2 in 1980 to 3.85*107 hm2 in 2009. However, it still accounts for about 20 percent of agricultural land to the full potential, which verifies the necessary of sufficient and reasonable use in further.

  5. Quantitative genetic analysis of anxiety trait in bipolar disorder. (United States)

    Contreras, J; Hare, E; Chavarría, G; Raventós, H


    Bipolar disorder type I (BPI) affects approximately 1% of the world population. Although genetic influences on bipolar disorder are well established, identification of genes that predispose to the illness has been difficult. Most genetic studies are based on categorical diagnosis. One strategy to overcome this obstacle is the use of quantitative endophenotypes, as has been done for other medical disorders. We studied 619 individuals, 568 participants from 61 extended families and 51 unrelated healthy controls. The sample was 55% female and had a mean age of 43.25 (SD 13.90; range 18-78). Heritability and genetic correlation of the trait scale from the Anxiety State and Trait Inventory (STAI) was computed by using the general linear model (SOLAR package software). we observed that anxiety trait meets the following criteria for an endophenotype of bipolar disorder type I (BPI): 1) association with BPI (individuals with BPI showed the highest trait score (F = 15.20 [5,24], p = 0.009), 2) state-independence confirmed after conducting a test-retest in 321 subjects, 3) co-segregation within families 4) heritability of 0.70 (SE: 0.060), p = 2.33 × 10 -14 and 5) genetic correlation with BPI was 0.20, (SE = 0.17, p = 3.12 × 10 -5 ). Confounding factors such as comorbid disorders and pharmacological treatment could affect the clinical relationship between BPI and anxiety trait. Further research is needed to evaluate if anxiety traits are specially related to BPI in comparison with other traits such as anger, attention or response inhibition deficit, pathological impulsivity or low self-directedness. Anxiety trait is a heritable phenotype that follows a normal distribution when measured not only in subjects with BPI but also in unrelated healthy controls. It could be used as an endophenotype in BPI for the identification of genomic regions with susceptibility genes for this disorder. Published by Elsevier B.V.

  6. Quantitative assessment of human motion using video motion analysis (United States)

    Probe, John D.


    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.

  7. ImatraNMR: Novel software for batch integration and analysis of quantitative NMR spectra (United States)

    Mäkelä, A. V.; Heikkilä, O.; Kilpeläinen, I.; Heikkinen, S.


    Quantitative NMR spectroscopy is a useful and important tool for analysis of various mixtures. Recently, in addition of traditional quantitative 1D 1H and 13C NMR methods, a variety of pulse sequences aimed for quantitative or semiquantitative analysis have been developed. To obtain actual usable results from quantitative spectra, they must be processed and analyzed with suitable software. Currently, there are many processing packages available from spectrometer manufacturers and third party developers, and most of them are capable of analyzing and integration of quantitative spectra. However, they are mainly aimed for processing single or few spectra, and are slow and difficult to use when large numbers of spectra and signals are being analyzed, even when using pre-saved integration areas or custom scripting features. In this article, we present a novel software, ImatraNMR, designed for batch analysis of quantitative spectra. In addition to capability of analyzing large number of spectra, it provides results in text and CSV formats, allowing further data-analysis using spreadsheet programs or general analysis programs, such as Matlab. The software is written with Java, and thus it should run in any platform capable of providing Java Runtime Environment version 1.6 or newer, however, currently it has only been tested with Windows and Linux (Ubuntu 10.04). The software is free for non-commercial use, and is provided with source code upon request.

  8. [Quantitative analysis and stability ofp-hydroxybenzyl hydrogen sulfite in sulfur-fumigated Gastrodiae Rhizoma]. (United States)

    Kang, Chuan-Zhi; Jiang, Jing-Yi; Yang, Wan-Zhen; Zhou, Li; Lv, Chao-Geng; Li, Jia-Xing; Wang, Sheng; Zhou, Tao; Yang, Ye; Huang, Lu-Qi; Guo, Lan-Ping


    Studies on the characteristic chemical markers of sulfur fumigation have become an effective auxiliary way for quality control of traditional Chinese medicine. This study established a quantitative analysis method for the determination of p -hydroxybenzyl hydrogen sulfite ( p -HS) in Gastrodiae Rhizoma (GR) based on UPLC-MS/MS. Then, 37 batches of GR were screened, and the results showed that 27 batches of them were sulfur-fumigated. Especially, the GR samples in Yunnan producing areas were sulfur-fumigated more seriously. Based on the stability of p -HS after different storage time and heat treatment methods, it was found that the content of p -HS was stable and reliable in the storage period of 8 months and under normal heat treatment (50, 60, 70, 80 °C) conditions. In conclusion, this study shows a high sensitivity, good selectivity and good stability of p -HS, which can provide reference for the quality control and sulfur fumigation screening of GR. Copyright© by the Chinese Pharmaceutical Association.

  9. Morphologic characterization and quantitative analysis on in vitro bacteria by nuclear techniques of measurement

    International Nuclear Information System (INIS)

    Lopes, Joana D'Arc Ramos


    The great difficulty to identify microorganisms (bacteria) from infectious processes is related to the necessary time to obtain a reliable result, about 72 hours. The purpose of this work is to establish a faster method to characterize bacterial morphologies through the use of neutron radiography, which can take about 5 hours. The samples containing the microorganisms, bacteria with different morphologies, after the appropriate microbiologic procedures were incubated with B 10 for 30 minutes and soon after deposited in a plate of a solid detector of nuclear tracks (SSNTD), denominated CR-39. To obtain the images relative to bacteria, the detector was submitted to the flow of thermal neutrons of the order of 2.2 x 10 5 n/cm 2 .s from the J-9 channel of the Reactor Argonauta (IEN/CNEN). To observe the images from bacteria in each sample under an optical microscope, the sheets were chemically developed. The analysis of the images revealed morphologic differences among the genera (Gram positive from Gram-negative and coccus from bacillus), in samples containing either isolated or mixed bacteria. We thus verified the viability of the technique to achieve morphological characterization of different microorganisms. A quantitative approach seemed also to be feasible with the technique. The whole process took about 2 hours. (author)

  10. Quantitative proteomic analysis of whey proteins in the colostrum and mature milk of yak (Bos grunniens). (United States)

    Yang, Yongxin; Zhao, Xiaowei; Yu, Shumin; Cao, Suizhong


    Yak (Bos grunniens) is an important natural resource in mountainous regions. To date, few studies have addressed the differences in the protein profiles of yak colostrum and milk. We used quantitative proteomics to compare the protein profiles of whey from yak colostrum and milk. Milk samples were collected from 21 yaks after calving (1 and 28 d). Whey protein profiles were generated through isobaric tag for relative and absolute quantification (iTRAQ)-labelled proteomics. We identified 183 proteins in milk whey; of these, the expression levels of 86 proteins differed significantly between the whey from colostrum and milk. Haemoglobin expression showed the greatest change; its levels were significantly higher in the whey from colostrum than in mature milk whey. Functional analysis revealed that many of the differentially expressed proteins were associated with biological regulation and response to stimuli. Further, eight differentially expressed proteins involved in the complement and coagulation cascade pathway were enriched in milk whey. These findings add to the general understanding of the protein composition of yak milk, suggest potential functions of the differentially expressed proteins, and provide novel information on the role of colostral components in calf survival. © 2014 Society of Chemical Industry.

  11. Quantitative analysis in capillary electrophoresis: transformation of raw electropherograms into continuous distributions. (United States)

    Chamieh, Joseph; Martin, Michel; Cottet, Hervé


    Quantitative analysis in capillary electrophoresis based on time-scale electropherograms generally uses time-corrected peak areas to account for the differences in apparent velocities between solutes. However, it could be convenient and much more relevant to change the time-scale electropherograms into mass relative distribution of the effective mobility or any other characteristic parameter (molar mass, chemical composition, charge density, ...). In this study, the theoretical background required to perform the variable change on the electropherogram was developed with an emphasis on the fact that both x and y axes should be changed when the time scale electropherograms are modified to get the distributions. Applications to the characterization of polymers and copolymers by different modes of capillary electrophoresis (CE) are presented, including the molar mass distribution of poly-L-lysine oligomers by capillary gel electrophoresis (CGE), molar mass distribution of end-charged poly-l-alanine by free solution CE, molar mass distribution of evenly charged polyelectrolytes by CGE, and charge density distribution of variously charged polyelectrolytes by free solution CE.

  12. Quantitative imaging of chemical composition in single cells by secondary ion mass spectrometry: cisplatin affects calcium stores in renal epithelial cells. (United States)

    Chandra, Subhash


    A detailed protocol for quantitative single cell mass spectrometry imaging (MSI) analysis is described in this chapter with examples of the treatment of cells with anticancer drug, cisplatin. Cisplatin, cis-diamminedichloridoplatinum ii (CDDP), is widely used for the treatment of many malignancies, including testicular, ovarian, bladder, cervical, head and neck, and small cell and non-small cell lung cancers. The possibility of renal injury by cisplatin treatment is a major dose-limiting factor in this cancer therapy. At present, the mechanisms of cisplatin-induced renal cytotoxicity are poorly understood. In this work, secondary ion mass spectrometry (SIMS) was used for investigating cisplatin-induced alterations in intracellular chemical composition in a well-established model (LLC-PK(1) cell line) for studying renal injury. The cells were cryogenically prepared by the sandwich freeze-fracture method for subcellular imaging analysis of chemical composition (total concentrations of K(+), Na(+), and Ca(2+)) in individual cells. The single cell analysis of these diffusible ions necessitates the use of reliable cryogenic sample preparations for SIMS. The sandwich freeze-fracture method offers a simple approach for cryogenically preserving diffusible ions and molecules inside the cells for SIMS analysis. A CAMECA IMS-3f SIMS ion microscope instrument capable of producing chemical images of single cells with 500-nm spatial resolution was used in the study. In cisplatin-treated cells, SIMS imaging showed the presence of detectable amount of platinum at mass 195, as (195)Pt(+) secondary ions in individual cells. SIMS observations also revealed that individual cells differed in their response to cisplatin. While the chemical composition of some cells was unaffected by cisplatin, others showed a reduction in cytoplasmic calcium stores that was not associated with changes in their intracellular K or Na concentrations. Another population of cells displayed an increase in

  13. Quantitative spectroscopy for the analysis of GOME data (United States)

    Chance, K.


    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.


    Energy Technology Data Exchange (ETDEWEB)

    Poirier, M.; Fink, S.


    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

  15. A quantitative method for Failure Mode and Effects Analysis

    NARCIS (Netherlands)

    Braaksma, A. J. J.; Meesters, A. J.; Klingenberg, W.; Hicks, C.


    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

  16. Quantitative analysis of some brands of chloroquine tablets ...

    African Journals Online (AJOL)

    The experiment involves analysis of chloroquine using ultra violet spectrophotometer in the ultraviolet range (200- 400nm) and high performance liquid chromatography(HPLC) in which the samples were dissolved in various solvents and their various absorbance, peak area at various wavelength were determined and ...

  17. Bayesian analysis of interacting quantitative trait loci (QTL) for yield ...

    African Journals Online (AJOL)

    7×Lycopersicon pimpinellifolium LA2184 was used for genome-wide linkage analysis for yield traits in tomato. The genetic map, spanning the tomato genome of 808.4 cM long was constructed with 112 SSR markers distributing on 16 linkage ...

  18. Quantitative electron microscope autoradiography: application of multiple linear regression analysis

    International Nuclear Information System (INIS)

    Markov, D.V.


    A new method for the analysis of high resolution EM autoradiographs is described. It identifies labelled cell organelle profiles in sections on a strictly statistical basis and provides accurate estimates for their radioactivity without the need to make any assumptions about their size, shape and spatial arrangement. (author)

  19. Automatic quantitative analysis of cardiac MR perfusion images

    NARCIS (Netherlands)

    Breeuwer, Marcel; Spreeuwers, Lieuwe Jan; Quist, Marcel


    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

  20. Regression Commonality Analysis: A Technique for Quantitative Theory Building (United States)

    Nimon, Kim; Reio, Thomas G., Jr.


    When it comes to multiple linear regression analysis (MLR), it is common for social and behavioral science researchers to rely predominately on beta weights when evaluating how predictors contribute to a regression model. Presenting an underutilized statistical technique, this article describes how organizational researchers can use commonality…

  1. 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...

  2. Interleukin-2 signaling pathway analysis by quantitative phosphoproteomics

    DEFF Research Database (Denmark)

    Osinalde, Nerea; Moss, Helle; Arrizabalaga, Onetsine


    among which 79 were found with increased abundance in the tyrosine-phosphorylated complexes, including several previously not reported IL-2 downstream effectors. Combinatorial site-specific phosphoproteomic analysis resulted in identification of 99 phosphorylated sites mapping to the identified proteins...

  3. Quantitative analysis of cell migration using optical flow.

    Directory of Open Access Journals (Sweden)

    Katica Boric

    Full Text Available Neural crest cells exhibit dramatic migration behaviors as they populate their distant targets. Using a line of zebrafish expressing green fluorescent protein (sox10:EGFP in neural crest cells we developed an assay to analyze and quantify cell migration as a population, and use it here to characterize in detail the subtle defects in cell migration caused by ethanol exposure during early development. The challenge was to quantify changes in the in vivo migration of all Sox10:EGFP expressing cells in the visual field of time-lapse movies. To perform this analysis we used an Optical Flow algorithm for motion detection and combined the analysis with a fit to an affine transformation. Through this analysis we detected and quantified significant differences in the cell migrations of Sox10:EGFP positive cranial neural crest populations in ethanol treated versus untreated embryos. Specifically, treatment affected migration by increasing the left-right asymmetry of the migrating cells and by altering the direction of cell movements. Thus, by applying this novel computational analysis, we were able to quantify the movements of populations of cells, allowing us to detect subtle changes in cell behaviors. Because cranial neural crest cells contribute to the formation of the frontal mass these subtle differences may underlie commonly observed facial asymmetries in normal human populations.

  4. Mass spectrometry for real-time quantitative breath analysis

    Czech Academy of Sciences Publication Activity Database

    Smith, D.; Španěl, Patrik; Herbig, J.; Beauchamp, J.


    Roč. 8, č. 2 (2014), 027101 ISSN 1752-7155 Institutional support: RVO:61388955 Keywords : breath analysis * proton transfer reaction mass spectrometry * selected ion flow tube mass spectrometry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.631, year: 2014

  5. Quantitative analysis of natural resource management options at different scales

    NARCIS (Netherlands)

    Keulen, van H.


    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

  6. Quantitative comparison of analysis methods for spectroscopic optical coherence tomography

    NARCIS (Netherlands)

    Bosschaart, Nienke; van Leeuwen, Ton; Aalders, Maurice C.G.; Faber, Dirk


    pectroscopic optical coherence tomography (sOCT) enables the mapping of chromophore concentrations and image contrast enhancement in tissue. Acquisition of depth resolved spectra by sOCT requires analysis methods with optimal spectral/spatial resolution and spectral recovery. In this article, we

  7. Quantitative comparison of analysis methods for spectroscopic optical coherence tomography

    NARCIS (Netherlands)

    Bosschaart, Nienke; van Leeuwen, Ton G.; Aalders, Maurice C. G.; Faber, Dirk J.


    Spectroscopic optical coherence tomography (sOCT) enables the mapping of chromophore concentrations and image contrast enhancement in tissue. Acquisition of depth resolved spectra by sOCT requires analysis methods with optimal spectral/spatial resolution and spectral recovery. In this article, we

  8. Quantitative analysis of particulate burden in lung tissue

    International Nuclear Information System (INIS)

    Mastin, J.P.; Stettler, L.E.; Shelburne, J.D.


    Numerous methods have been used in the preparation and analysis of the particulate matter deposited in human lungs. Preparation techniques include those for particle isolation and for in situ analysis. Analytical techniques include bulk and particle-by-particle analysis. In this paper, a general discussion of many of these methods is presented along with examples of how two specific techniques have been used. In one study, individual particles from the lungs of 75 randomly selected autopsy cases were analyzed using an automated scanning electron microscopy (SEM)/energy dispersive X-ray microanalysis (EDX) system. An average of 613 million particles, of exogenous origin, per gram of dry lung tissue were found, the major classes of particles being silica, talc, aluminum silicates, and rutile. In the second study, lungs from 50 randomly selected autopsy cases were analyzed using gravimetric and X-ray diffraction (XRD) analysis. The median total particulate material was 0.33 grams, for cases in which samples were prepared by high temperature ashing, and 0.41 grams, for those in which nitric acid digestion was used. The median amount of quartz for all cases, was 0.044 grams. Samples of eighteen of the 75 lungs previously analyzed by automated SEM/EDX were also analyzed using gravimetric and XRD analysis. A good correlation was seen between the results of the two procedures (r = 0.91 for number of exogenous particles versus grams of particulate matter and r = 0.97 for number of silica particles versus amount of quartz). 121 references

  9. Spectral identity mapping for enhanced chemical image analysis (United States)

    Turner, John F., II


    Advances in spectral imaging instrumentation during the last two decades has lead to higher image fidelity, tighter spatial resolution, narrower spectral resolution, and improved signal to noise ratios. An important sub-classification of spectral imaging is chemical imaging, in which the sought-after information from the sample is its chemical composition. Consequently, chemical imaging can be thought of as a two-step process, spectral image acquisition and the subsequent processing of the spectral image data to generate chemically relevant image contrast. While chemical imaging systems that provide turnkey data acquisition are increasingly widespread, better strategies to analyze the vast datasets they produce are needed. The Generation of chemically relevant image contrast from spectral image data requires multivariate processing algorithms that can categorize spectra according to shape. Conventional chemometric techniques like inverse least squares, classical least squares, multiple linear regression, principle component regression, and multivariate curve resolution are effective for predicting the chemical composition of samples having known constituents, but are less effective when a priori information about the sample is unavailable. To address these problems, we have developed a fully automated non-parametric technique called spectral identity mapping (SIMS) that reduces the dependence of spectral image analysis on training datasets. The qualitative SIMS method provides enhanced spectral shape specificity and improved chemical image contrast. We present SIMS results of infrared spectral image data acquired from polymer coated paper substrates used in the manufacture of pressure sensitive adhesive tapes. In addition, we compare the SIMS results to results from spectral angle mapping (SAM) and cosine correlation analysis (CCA), two closely related techniques.

  10. Quantitative data analysis with SPSS release 8 for Windows a guide for social scientists

    CERN Document Server

    Bryman, Alan


    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:

  11. Quantitative Safety and Security Analysis from a Communication Perspective

    DEFF Research Database (Denmark)

    Malinowsky, Boris; Schwefel, Hans-Peter; Jung, Oliver


    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...

  12. Quantitative Safety and Security Analysis from a Communication Perspective

    Directory of Open Access Journals (Sweden)

    Boris Malinowsky


    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.

  13. Quantitative analysis of the renal aging in rats. Stereological study


    Melchioretto, Eduardo Felippe; Zeni, Marcelo; Veronez, Djanira Aparecida da Luz; Martins Filho, Eduardo Lopes; Fraga, Rogério de


    ABSTRACT PURPOSE: To evaluate the renal function and the renal histological alterations through the stereology and morphometrics in rats submitted to the natural process of aging. METHODS: Seventy two Wistar rats, divided in six groups. Each group was sacrificed in a different age: 3, 6, 9, 12, 18 and 24 months. It was performed right nephrectomy, stereological and morphometric analysis of the renal tissue (renal volume and weight, density of volume (Vv[glom]) and numerical density (Nv[glo...


    Bittker, D. A.


    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

  15. Quantitative analysis of uncertainty from pebble flow in HTR

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Hao, E-mail: [Fundamental Science on Nuclear Safety and Simulation Technology Laboratory, College of Nuclear Science and Technology, Harbin Engineering University, Harbin (China); Institute of Nuclear and New Energy Technology (INET), Collaborative Innovation Center of Advanced Nuclear Energy Technology, Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Tsinghua University, Beijing (China); Fu, Li; Jiong, Guo; Ximing, Sun; Lidong, Wang [Institute of Nuclear and New Energy Technology (INET), Collaborative Innovation Center of Advanced Nuclear Energy Technology, Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Tsinghua University, Beijing (China)


    Highlights: • An uncertainty and sensitivity analysis model for pebble flow has been built. • Experiment and random walk theory are used to identify uncertainty of pebble flow. • Effects of pebble flow to the core parameters are identified by sensitivity analysis. • Uncertainty of core parameters due to pebble flow is quantified for the first time. - Abstract: In pebble bed HTR, along the deterministic average flow lines, randomness exists in the flow of pebbles, which is not possible to simulate with the current reactor design codes for HTR, such as VSOP, due to the limitation of current computer capability. In order to study how the randomness of pebble flow will affect the key parameters in HTR, a new pebble flow model was set up, which has been successfully transplanted into the VSOP code. In the new pebble flow model, mixing coefficients were introduced into the fixed flow line to simulate the randomness of pebble flow. Numerical simulation and pebble flow experiments were facilitated to determine the mixing coefficients. Sensitivity analysis was conducted to achieve the conclusion that the key parameters of pebble bed HTR are not sensitive to the randomness in pebble flow. The uncertainty of maximum power density and power distribution caused by the randomness in pebble flow is very small, especially for the “multi-pass” scheme of fuel circulation adopted in the pebble bed HTR.

  16. Quantitative Proteomic Analysis of Rat Condylar Chondrocytes during Postnatal Development. (United States)

    Jiang, Li Ting; Xie, Yin Yin; Wei, Li; Zhou, Qi; Shen, Xing; Gao, Yi Ming; Jiang, Xin Quan

    To investigate differentially expressed proteins in rat mandibular condylar cartilage (MCC) chondrocytes caused by initial mastication for short postnatal periods. Four groups of protein samples were extracted from primary cultured rat MCC chondrocytes, harvested from eigthy postnatal SD rats aged 1,7,14 and 28 days, with twenty in each group. Total proteins were labelled with isobaric tags for relative and absolute quantification (iTRAQ) reagents. Two-dimensional nano-high-performance liquid chromatography (HPLC) and matrix-assisted laser desorption ionization-time-of-flight/ time-of-flight (MALDI-TOF/TOF) mass spectrometry analysis with iTRAQ technique were performed. All data were analysed by MASCOT software with the SWISSPROT protein database. Furthermore, bioinformatics and statistical analysis were performed to classify their cellular components, biological processes, molecular functions and metabolic pathway by the PANTHER database. In total, 137 differentially expressed proteins were identified during MCC growth and were assigned to one or more cellular components. According to the PANTHER analysis, a significant proportion of proteins are involved in the metabolic process, cellular process, biological regulation, developmental process and response to stimulus. The most extensive molecular function was 43% in catalytic activity. In addition, it was found that proteins in MCC chondrocytes change markedly on the growth stage of eruption of the teeth. This study provides an integrated perspective of molecular mechanisms regulating early normal postnatal growth and development of rat MCC at the protein level.

  17. Method for fractional solid-waste sampling and chemical analysis

    DEFF Research Database (Denmark)

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


    Chemical characterization of solid waste is a demanding task due to the heterogeneity of the waste. This article describes how 45 material fractions hand-sorted from Danish household waste were subsampled and prepared for chemical analysis of 61 substances. All material fractions were subject...... to repeated particle-size reduction, mixing, and mass reduction until a sufficiently small but representative sample was obtained for digestion prior to chemical analysis. The waste-fraction samples were digested according to their properties for maximum recognition of all the studied substances. By combining...... four subsampling methods and five digestion methods, paying attention to the heterogeneity and the material characteristics of the waste fractions, it was possible to determine 61 substances with low detection limits, reasonable variance, and high accuracy. For most of the substances of environmental...

  18. A spectral identity mapper for chemical image analysis. (United States)

    Turner, John F; Zhang, Jing; O'Connor, Anne


    Generating chemically relevant image contrast from spectral image data requires multivariate processing algorithms that can categorize spectra according to shape. Conventional chemometric techniques like inverse least squares, classical least squares, multiple linear regression, principle component regression, and multivariate curve resolution are effective for predicting the chemical composition of samples having known constituents, but they are less effective when a priori information about the sample is unavailable. We have developed a multivariate technique called spectral identity mapping (SIM) that reduces the dependence of spectral image analysis on training datasets. The qualitative SIM method provides enhanced spectral shape specificity and improved chemical image contrast. We present SIM results of spectral image data acquired from polymer-coated paper substrates used in the manufacture of pressure sensitive adhesive tapes. In addition, we compare the SIM results to results from spectral angle mapping (SAM) and cosine correlation analysis (CCA), two closely related techniques.

  19. Quantitative evaluation of vertebral marrow adipose tissue in postmenopausal female using MRI chemical shift-based water–fat separation

    International Nuclear Information System (INIS)

    Li, G.-W.; Xu, Z.; Chen, Q.-W.; Tian, Y.-N.; Wang, X.-Y.; Zhou, L.; Chang, S.-X.


    Aim: To investigate the feasibility of assessing vertebral marrow adipose tissue using a magnetic resonance imaging (MRI) chemical shift-based water–fat separation technique at 3 T. Material and methods: A modified Dixon technique was performed to obtain the vertebral marrow fat fraction (FF) in a study of 58 postmenopausal females (age range 49.2–77.4 years), including 24 normal bone density, 19 osteopaenia, and 15 osteoporosis as documented with dual-energy X-ray absorptiometry. The reliability of FF measurements performed by two radiologists independently was evaluated with the intraclass correlation coefficient (ICC). Ten participants were scanned twice to assess the reproducibility of FF measurements. FF values were compared between each vertebral level and between groups. Results: The mean coefficient of variation of FF measurements was 2.1%. According to the ICC, the measurements were reliable (ICC = 0.900 for normal bone density, ICC = 0.937 for osteopaenia and ICC = 0.909 for osteoporosis, p < 0.001 for all). There was an inverse association between mean FF at L1–L4 vertebrae and lumbar spine BMD (r = −0.459, p = 0.006), which remained significant even after controlling for confounders (age, height, and body weight). FF values at different vertebral levels were significantly correlated to each other (r = 0.703–0.921, p < 0.05 for all). There was a general trend toward increased marrow adiposity for more inferior vertebral bodies. Patients with osteopaenia and osteoporosis had a higher marrow fat content compared with normal bone mass after adjusting for confounders, although no significant differences in each vertebral level and average marrow fat content were found between the osteopaenia and osteoporosis groups. Conclusion: Chemical shift-based water–fat separation enables the quantitation of vertebral marrow adiposity with excellent reproducibility, which appears to be a useful method to provide complementary information to osteoporosis

  20. Quantitation of Surface Coating on Nanoparticles Using Thermogravimetric Analysis. (United States)

    Dongargaonkar, Alpana A; Clogston, Jeffrey D


    Nanoparticles are critical components in nanomedicine and nanotherapeutic applications. Some nanoparticles, such as metallic nanoparticles, consist of a surface coating or surface modification to aid in its dispersion and stability. This surface coating may affect the behavior of nanoparticles in a biological environment, thus it is important to measure. Thermogravimetric analysis (TGA) can be used to determine the amount of coating on the surface of the nanoparticle. TGA experiments run under inert atmosphere can also be used to determine residual metal content present in the sample. In this chapter, the TGA technique and experimental method are described.

  1. Quantitative analysis of overlapping XPS peaks by spectrum reconstruction

    DEFF Research Database (Denmark)

    Graat, Peter C.J.; Somers, Marcel A. J.


    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...... contributions in the spectra owing to inelastic scattering of signal electrons were calculated from the depth distributions of these constituents and their reference spectra. In the reconstruction procedure the film thickness and the concentrations of Fe/sup 2+/ and Fe/sup 3+/ in the oxide film were used as fit...

  2. 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)


    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)

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

    African Journals Online (AJOL)

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

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

    African Journals Online (AJOL)

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

  5. Bark chemical analysis explains selective bark damage by rodents

    Czech Academy of Sciences Publication Activity Database

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


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

  6. Chemical Analysis of Some Limestone Samples from the Middle Belt ...

    African Journals Online (AJOL)

    Abstract. Chemical analysis of fifteen (15) limestone samples, 13 of which were locally sourced, was carried out using gravimetric as well as flame emission and uv- visible spectroscopic methods. The range of parameters ... and some other filler applications. Keywords: Industrial, Ink, Limestone, Local Source, Spectroscopy.

  7. Chemical analysis of steel by optical emission spectrometry

    International Nuclear Information System (INIS)

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


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

  8. Comparative Analysis on Chemical Composition of Bentonite Clays ...

    African Journals Online (AJOL)


    Sep 12, 2017 ... Abdullahi and Audu. 35. Comparative Analysis on Chemical Composition of Bentonite Clays. Obtained from Ashaka and Tango Deposits in Gombe State, Nigeria. Abdullahi S.L1 and Audu A.A2. 1Kano State Polytechnic, Kano - Nigeria. 2Department of Pure and Industrial Chemistry, Bayero University Kano ...

  9. Quantitative analysis of the renal aging in rats. Stereological study. (United States)

    Melchioretto, Eduardo Felippe; Zeni, Marcelo; Veronez, Djanira Aparecida da Luz; Martins, Eduardo Lopes; Fraga, Rogério de


    To evaluate the renal function and the renal histological alterations through the stereology and morphometrics in rats submitted to the natural process of aging. Seventy two Wistar rats, divided in six groups. Each group was sacrificed in a different age: 3, 6, 9, 12, 18 and 24 months. It was performed right nephrectomy, stereological and morphometric analysis of the renal tissue (renal volume and weight, density of volume (Vv[glom]) and numerical density (Nv[glom]) of the renal glomeruli and average glomerular volume (Vol[glom])) and also it was evaluated the renal function for the dosage of serum creatinine and urea. There was significant decrease of the renal function in the oldest rats. The renal volume presented gradual increase during the development of the rats with the biggest values registered in the group of animals at 12 months of age and significant progressive decrease in older animals. Vv[glom] presented statistically significant gradual reduction between the groups and the Nv[glom] also decreased significantly. The renal function proved to be inferior in senile rats when compared to the young rats. The morphometric and stereological analysis evidenced renal atrophy, gradual reduction of the volume density and numerical density of the renal glomeruli associated to the aging process.

  10. 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)


    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.

  11. Single particle transfer for quantitative analysis with total-reflection X-ray fluorescence spectrometry

    International Nuclear Information System (INIS)

    Esaka, Fumitaka; Esaka, Konomi T.; Magara, Masaaki; Sakurai, Satoshi; Usuda, Shigekazu; Watanabe, Kazuo


    The technique of single particle transfer was applied to quantitative analysis with total-reflection X-ray fluorescence (TXRF) spectrometry. The technique was evaluated by performing quantitative analysis of individual Cu particles with diameters between 3.9 and 13.2 μm. The direct quantitative analysis of the Cu particle transferred onto a Si carrier gave a discrepancy between measured and calculated Cu amounts due to the absorption effects of incident and fluorescent X-rays within the particle. By the correction for the absorption effects, the Cu amounts in individual particles could be determined with the deviation within 10.5%. When the Cu particles were dissolved with HNO 3 solution prior to the TXRF analysis, the deviation was improved to be within 3.8%. In this case, no correction for the absorption effects was needed for quantification

  12. Quantitative analysis of hydrogen peroxide with special emphasis on biosensors. (United States)

    Pundir, Chandra S; Deswal, Ritu; Narwal, Vinay


    Determination of hydrogen peroxide (H 2 O 2 ) has become essential in pharmaceutical, biological, clinical and environmental studies. The conventional detection methods of H 2 O 2 such as colourimetry, titration, chromatography, spectrophotometry, fluorimetry, chemiluminescence have limited success, due to their poor selectivity and sensitivity, long analysis time and lack of long-term reliability and reproducibility. The biosensors overcome these limitations because of their simplicity, rapidity, selectivity and high sensitivity. This review describes the principle, analytic parameters, merits and demerits of various methods of H 2 O 2 determination with special emphasis on biosensors. The classification of biosensors based on various materials/nanomaterials and electrodes have been described in detail. The recent advances in vivo sensing and bio-sensing of H 2 O 2 by hemoglobin nanoparticles are also presented. The significant challenges and future perspective for highly selective H 2 O 2 detection are discussed.

  13. Quantitative image measurements for outcome analysis of lung nodule treatment (United States)

    Zhu, Xiaoming; Lee, Ki-Nam; Wong, Stephen T. C.; Huang, H. K.


    In this study, we designed and implemented a temporal image database for outcome analysis of lung nodules based on spiral CT images. The software package is composed of three parts. They are, respectively, a database management system which stores patient image data and nodule information; a user-friendly graphical user interface which allows a user to interface with the image database; and image processing tools that are designed to segment out lung nodules in the CT image with a simple mouse click anywhere inside a nodule. The image database uses the relational Sybase database system. Patient images and nodule information are stored in separate tables. Software interface has been designed to allow a user to retrieve any patient study from the picture archiving and communication system into the image database.

  14. Quantitative analysis of fish wake dynamics using volumetric PIV data (United States)

    Mendelson, Leah; Techet, Alexandra


    In the study of swimming hydrodynamics, the fluid impulse in the wake is used to quantify the momentum transferred by the fish as it swims. This impulse is typically computed from planar PIV measurements of the wake circulation and geometry by assuming an axisymmetric vortex ring model. However, in many propulsive and maneuvering scenarios, three-dimensional effects are of substantial importance, and wake features are not often an isolated, symmetric vortex ring. Volumetric PIV data provides a complete measure of the vortex geometry and orientation, and circulation can be determined over multiple planar slices through the volume. Using sample datasets obtained from synthetic aperture PIV (SAPIV), we demonstrate how the availability of volumetric PIV data enables more detailed analysis of hydrodynamic impulse and characterize the uncertainty created by planar measurements. Special attention is paid to unsteady maneuvering behaviors that generate asymmetric and linked wake features.

  15. Quantitative Analysis and Stability of the Rodenticide TETS ... (United States)

    Journal Article The determination of the rodenticide tetramethylenedisulfotetramine (TETS) in drinking water is reportable through the use of automated sample preparation via solid phase extraction and detection using isotope dilution gas chromatography-mass spectrometry. The method was characterized over twenty-two analytical batches with quality control samples. Accuracies for low and high concentration quality control pools were 100 and 101%, respectively. The minimum reporting level (MRL) for TETS in this method is 0.50 ug/L. Five drinking waters representing a range of water quality parameters and disinfection practices were fortified with TETS at ten times the MRL and analyzed over a 28 day period to determine the stability of TETS in these waters. The amount of TETS measured in these samples averaged 100 ± 6% of the amount fortified suggesting that tap water samples may be held for up to 28 days prior to analysis.

  16. Quantitative analysis of caffeine applied to pharmaceutical industry (United States)

    Baucells, M.; Ferrer, N.; Gómez, P.; Lacort, G.; Roura, M.


    The direct determination of some compounds like caffeine in pharmaceutical samples without sample pretreatment and without the separation of these compounds from the matrix (acetyl salicylic acid, paracetamol,…) is very worthwhile. It enables analysis to be performed quickly and without the problems associated with sample manipulation. The samples were diluted directly in KBr powder. We used both diffuse reflectance (DRIFT) and transmission techniques in order to measure the intensity of the peaks of the caffeine in the pharmaceutical matrix. Limits of detection, determination, relative standard deviation and recovery using caffeine in the same matrix as in the pharmaceutical product are related. Two methods for the quantification of caffeine were used: calibration line and standard addition techniques.


    Directory of Open Access Journals (Sweden)

    Benoit Krebs


    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.

  18. Quantitative Analysis of Spectral Impacts on Silicon Photodiode Radiometers: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Myers, D. R.


    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.

  19. Quantitative Analysis of Phenylpropanoid Glycerol Glucosides in Different Organs of Easter Lily (Lilium longiflorum Thunb.). (United States)

    Munafo, John P; Gianfagna, Thomas J


    The Easter lily (Lilium longiflorum Thunb.) is esteemed worldwide as an attractive ornamental plant, and the flower buds and bulbs are used for both culinary and medicinal purposes in many parts of the world. L. longiflorum contains significant amounts of phenylpropanoid glycerol glucosides, a group of compounds that may contribute to plant pathogen defense, ultraviolet/high-intensity visible light (UV/high light) protection, and the purported medicinal uses of lilies. To define the natural distribution of these compounds within the plant, a liquid chromatography-mass spectrometry (LC-MS) method performed in selected ion monitoring (SIM) mode was employed for the quantitative analysis of five phenylpropanoid glycerol glucosides, namely, (2S)-1-O-caffeoyl-2-O-β-D-glucopyranosylglycerol, 1; (2R)-1-O-β-D-glucopyranosyl-2-O-p-coumaroylglycerol, 2; (2S)-1-O-p-coumaroyl-2-O-β-D-glucopyranosylglycerol, 3; (2S)-1-O-caffeoyl-2-O-β-D-glucopyranosyl-3-O-acetylglycerol, 4; and (2S)-1-O-p-coumaroyl-2-O-β-D-glucopyranosyl-3-O-acetylglycerol, 5, in the different organs of L. longiflorum. The p-coumaroyl-based 3 and its acetylated derivative 5 were determined to be the most abundant of the phenylpropanoid glycerol glucosides found in Easter lily bulbs, at 776.3 ± 8.4 and 650.7 ± 32.6 μg/g dry weight, respectively. The acetylated p-coumaroyl- and caffeoyl-based derivatives, 5 and 4, accumulated to the highest concentration in the closed flower buds, at 4925.2 ± 512.8 and 3216.8 ± 406.4 μg/g dry weight, respectively. Compound 4, followed by 5 and 1, proved to be the most abundant in the mature flowers, occurring at 6006.2 ± 625.8, 2160.3 ± 556.5, and 1535.8 ± 174.1 μg/g dry weight, respectively. Total concentrations of the phenylpropanoid glycerol glucosides were 10-100-fold higher in the above-ground plant organs as compared to the bulbs and fleshy roots. Two of the five compounds, 1 and 2, were identified in L. longiflorum for the first time. The quantitative

  20. Scalp Surgery: Quantitative Analysis of Follicular Unit Growth (United States)

    Caruana, Giorgia


    Background: Over the years, different kinds of hair transplantation have been compared in an attempt to overcome male pattern alopecia and, at the same time, maximize both the survival and growth rate of grafted hair. In this study, we have assessed the survival and growth rate of follicular units (FU) in an in vitro model, as compared with that of conventional hair micrografts, to experimentally evaluate and elaborate on the differences between these 2 approaches in hair transplantation procedures. Methods: Group A (control; n = 100 follicles) was composed of hair micrografts, whereas FUs were assigned to Group B (experimental; n = 100 follicles, n = 35 FUs). Each group was cultured for a period of 10 days; the total stretch of follicles was measured soon after the harvest and 10 days later. The Kruskal-Wallis one-way analysis of variance on ranks test was used to perform statistical analysis. Results: The growth rate of follicles from Group A (mean 10-day shaft growth rate = 0.30 mm) proved to be statistically different compared with that of Group B (mean 10-day shaft growth rate = 0.23 mm). Conversely, our data did not show any significant difference between the survival rate of hair grafts from these 2 groups. Conclusions: Our data highlighted a reduced FU shaft growth compared with that of hair micrografts, corroborating, to a certain extent, the hypothesis that a significant amount of adipose tissue surrounding the follicle included in the graft may result in an inadequate nourishment supply to follicular cells. PMID:26579345